0 B5R0.2 C#CCNCC b7f456a7c0046d69162917c7df90472c [0,0,0,0,0,0|3,0,1]=4 1 B5R0.2 C#CCNCF 03b6945ac7c354bb4bd745a72a8c3a24 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.2 C#CCNCO 4bb795bb5acae202fad43479b44be9dd [0,0,0,0,0,0|3,0,1]=4 3 B5R0.2 C#CCOCC 625c68641a74502dc56dd1108cdba604 [0,0,0,0,0,0|3,0,1]=4 4 B5R0.2 C#CCOCF 0e978033291daf7dd93639008f4f2560 [0,0,0,0,0,0|3,0,1]=4 5 B5R0.2 CCCNC#N e55413a0eea711c89a0029efe46eb0b1 [0,0,0,0,0,0|2,0,2]=4 6 B5R0.2 CCCNC=O 394eea314e4a7e284e23571b2081e74b [0,0,0,0,0,0|3,0,1]=4 7 B5R0.2 CCCNCC 5224ca4332fe9f083a57aa92376290e9 [0,0,0,0,0,0|3,0,0]=3 8 B5R0.2 CCCNCF 5221ca3b6142d54e68ddcdccc04ade24 [0,0,0,0,0,0|3,0,0]=3 9 B5R0.2 CCCNCO d60b753d66bdce688dd2adf0f18abf34 [0,0,0,0,0,0|3,0,0]=3 10 B5R0.2 CCCOCC a0c48a14a19cfc2180230756acaf40ab [0,0,0,0,0,0|3,0,0]=3 11 B5R0.2 CCCOCF 3a09ada643594a0865eabd839c992d22 [0,0,0,0,0,0|3,0,0]=3 12 B5R0.2 CCNCC#N 8afea2f1bf8bfbfa2907ffe05f260d21 [0,0,0,0,0,0|2,0,2]=4 13 B5R0.2 CCNCCBr 6acf983ca8c05ad7adfc0e3d5b4f64f7 [0,0,0,0,0,0|3,0,0]=3 14 B5R0.2 CCNCCF f147a768cf60514004e1bcbf470c3410 [0,0,0,0,0,0|3,0,0]=3 15 B5R0.2 CCNCCI 8421b8d41316967e2680f733246bab7d [0,0,0,0,0,0|3,0,0]=3 16 B5R0.2 CCNCCO 2fc34530a6c959b43319124309163fa3 [0,0,0,0,0,0|3,0,0]=3 17 B5R0.2 CCNCCS e4a2a02ec4ecae7b609beae190ea9ee1 [0,0,0,0,0,0|3,0,0]=3 18 B5R0.2 CCOCC#N 0fd8a1783429ce080c52b3010d70b565 [0,0,0,0,0,0|2,0,2]=4 19 B5R0.2 CCOCCF e5d78433fc996ba51bd8a100b7998155 [0,0,0,0,0,0|3,0,0]=3 20 B5R0.2 CCOCCS 56f6087ed887f762fd2bdcb15935222f [0,0,0,0,0,0|3,0,0]=3 21 B5R0.2 CCOCOC 6cd815448945789916c4199ac0685ffd [0,0,0,0,0,0|2,1,0]=3 22 B5R0.2 COCNC#N 6538804d39cac1707c9f03c6cddb6366 [0,0,0,0,0,0|1,1,2]=4 23 B5R0.2 COCOCF 8b21adc85de0de107e0e54e13944287c [0,0,0,0,0,0|2,1,0]=3 24 B5R0.2 CSCNC#N dd90c86c89ce5a99a45720112f2e07ec [0,0,0,0,0,0|1,0,2]=3 25 B5R0.2 FCCNCF 3f146e38f81fa4f5bf67d0f4217d666d [0,0,0,0,0,0|4,0,0]=4 26 B5R0.2 FCCOCF ca742562f732a5154eefbdd51554f094 [0,0,0,0,0,0|4,0,0]=4 27 B5R0.2 FCNCCBr ebb4ae71bfedb68f39fc2b9156885a92 [0,0,0,0,0,0|4,0,0]=4 28 B5R0.2 FCNCCI 6147f2646233ff1a06aa8fb273c4329d [0,0,0,0,0,0|4,0,0]=4 29 B5R0.2 FCNCCS ce51a6a3077027e3188387d313defd97 [0,0,0,0,0,0|4,0,0]=4 30 B5R0.2 FCOCCS 3aade357eac7f8414966cbb46c36a193 [0,0,0,0,0,0|4,0,0]=4 31 B5R0.2 N#CCNCF 16901c333c15c02c0d34825b6b9ccb23 [0,0,0,0,0,0|4,0,0]=4 32 B5R0.2 N#CCNCO fd324670c11604d36c8ad9c950822402 [0,0,0,0,0,0|4,0,0]=4 33 B5R0.2 N#CCOCF a376014f96206b9d86fce99546d2dc7b [0,0,0,0,0,0|4,0,0]=4 34 B5R0.2 N#CNCCF e4f929564511bdc0425e713012cd3079 [0,0,0,0,0,0|4,0,0]=4 35 B5R0.2 N#CNCCO 4fe025328d8e2b561fe449e861e4b637 [0,0,0,0,0,0|4,0,0]=4 36 B5R0.2 N#CNCCS acd2c3aea28fc33dac0673fcfba0648d [0,0,0,0,0,0|4,0,0]=4 37 B5R0.2 O=CNCCBr 7c28f652da8d817ffdc4b1e301878e6d [0,0,0,0,0,0|4,0,0]=4 38 B5R0.2 O=CNCCF cc6ab20072548fa955497a25033be1e2 [0,0,0,0,0,0|4,0,0]=4 39 B5R0.2 O=CNCCI 782f0f8ecb3f6f21bf51449dd497a309 [0,0,0,0,0,0|4,0,0]=4 40 B5R0.2 O=CNCCO 0b79256f67d9aeba37165bf9fc8ffac5 [0,0,0,0,0,0|4,0,0]=4 41 B5R0.2 O=CNCCS 22fad8cac4457d75d73ab95d2ca38298 [0,0,0,0,0,0|4,0,0]=4 42 B5R0.2 OCCNCF 7003ba7efdea8413ef4364037c1001a7 [0,0,0,0,0,0|4,0,0]=4 43 B5R0.2 OCCNCO 7bb8121d6904fe92ecf2faab37be4b2d [0,0,0,0,0,0|4,0,0]=4 44 B5R0.2 OCNCCBr ee34e5972b0522a370fb51b29c6bc7a6 [0,0,0,0,0,0|4,0,0]=4 45 B5R0.2 OCNCCF 01aec1945c7d4caf55669189450aba19 [0,0,0,0,0,0|4,0,0]=4 46 B5R0.2 OCNCCI d2779603e8c1e9f18b9fbe00ccefa227 [0,0,0,0,0,0|4,0,0]=4 47 B5R0.2 OCNCCS 87671363bbc8ed0ee87af951e0008679 [0,0,0,0,0,0|4,0,0]=4 48 B4R0.2 CCNC#N d0f03dd102d2d8b7abe705087df6ba79 [1,0,0,0,0,0|1,0,2]=4 49 B6R0.1 CCC(C)NCF cd789606d14d277b4095dc11d6d1f629 [0,1,0,0,0,0|3,0,0]=4 50 B6R0.1 CCC(C)NCO 2f150bbe96920869e15d5d5aa816b484 [0,1,0,0,0,0|3,0,0]=4 51 B6R0.1 CCC(C)OCF b1f4704464bbfd0265fa8845c1d734e2 [0,1,0,0,0,0|3,0,0]=4 52 B6R0.1 CCCN(C)CC 063caa89be0fdd356f6455d1751457ac [0,1,0,0,0,0|3,0,0]=4 53 B6R0.1 CCCN(C)CF 5c995bfd39cfefd185b6001ca8e730f3 [0,1,0,0,0,0|3,0,0]=4 54 B6R0.1 CCCN(C)CO fa8c399923bf908abe4d1198e252c43d [0,1,0,0,0,0|3,0,0]=4 55 B6R0.1 CCN(C)CCF 15aa448f2958342e872fe1eff4da2f7c [0,1,0,0,0,0|3,0,0]=4 56 B6R0.1 CCN(C)CCO d3ce6c3bd65198b22911f821b13f3685 [0,1,0,0,0,0|3,0,0]=4 57 B6R0.1 CCN(C)CCS 1ccbd256497b3a342f1d9474525ca49a [0,1,0,0,0,0|3,0,0]=4 58 B6R0.1 CCN(C)COC 2dba1e0fec030895fe26248c793df52e [0,1,0,0,0,0|2,1,0]=4 59 B6R0.1 CCN(C)CSC 613c63b39ee46a6bdda90b076e70e35a [0,1,0,0,0,0|2,0,0]=3 60 B6R0.1 CCNC(C)CC 396d13a5c682c09283d5fcc86ff55a86 [0,1,0,0,0,0|3,0,0]=4 61 B6R0.1 CCNC(C)CO 31c32677d35319c7bce72f49aa59533d [0,1,0,0,0,0|3,0,0]=4 62 B6R0.1 CCN[C@@H](C)CC 8864275bc593322b499f8ffa253a175e [0,1,0,0,0,0|3,0,0]=4 63 B6R0.1 CCN[C@@H](C)CO 1b5cec79590e2129f58d3514073a1390 [0,1,0,0,0,0|3,0,0]=4 64 B6R0.1 CCN[C@H](C)CC 2ca98ce961a0f1b51c5b9bb18e4cf730 [0,1,0,0,0,0|3,0,0]=4 65 B6R0.1 CCN[C@H](C)CO 4334eb4497c625ddabbfceeac7d82066 [0,1,0,0,0,0|3,0,0]=4 66 B6R0.1 CCOC(C)CC 56a4de537882754d70714e008cda003f [0,1,0,0,0,0|3,0,0]=4 67 B6R0.1 CCOC(C)CF 65f06da7a639a9baf133860813b79ea3 [0,1,0,0,0,0|3,0,0]=4 68 B6R0.1 CCOC(C)CS eb3404d1a98d8fb6f364ecf6e98ac96e [0,1,0,0,0,0|3,0,0]=4 69 B6R0.1 CCO[C@@H](C)CC 1c34d8425f39e9be808db66bb381a14c [0,1,0,0,0,0|3,0,0]=4 70 B6R0.1 CCO[C@H](C)CC 08a1e8fcc5a32008da3650c30e1472a7 [0,1,0,0,0,0|3,0,0]=4 71 B6R0.1 CCO[C@H](C)CS 7d1ac13ead965fd5112ee05598239ca1 [0,1,0,0,0,0|3,0,0]=4 72 B6R0.1 CC[C@@H](C)NCF 6dbb95a50e3976893bdb1627db012fbb [0,1,0,0,0,0|3,0,0]=4 73 B6R0.1 CC[C@@H](C)NCO ac0974a6f9b0bb6d16f90be7439490a9 [0,1,0,0,0,0|3,0,0]=4 74 B6R0.1 CC[C@@H](C)OCF f4fa7810a1d84f0f9cde4476fd8e3f60 [0,1,0,0,0,0|3,0,0]=4 75 B6R0.1 CC[C@H](C)NCF 5d430afc33b47de08bdee5a967987e85 [0,1,0,0,0,0|3,0,0]=4 76 B6R0.1 CC[C@H](C)NCO 3a0d2629be7074b261ab0759e7061769 [0,1,0,0,0,0|3,0,0]=4 77 B6R0.1 CC[C@H](C)OCF 7272126d7b60c9c2f9744715a5cbda1c [0,1,0,0,0,0|3,0,0]=4 78 B6R0.4 C=C(C)CNCC ebc18c3c665b43c324efb5852b5613cc [0,1,0,0,0,0|3,0,0]=4 79 B6R0.4 C=C(C)CNCF 1e221a22fcfa2f630690e0e1cc1b686c [0,1,0,0,0,0|3,0,0]=4 80 B6R0.4 C=C(C)CNCO aed1efb8ed6b634f66b125805c14e3c3 [0,1,0,0,0,0|3,0,0]=4 81 B6R0.4 C=C(C)COCC 6d74b37620be58d1bea5b1911ab2feb1 [0,1,0,0,0,0|3,0,0]=4 82 B6R0.4 C=C(C)COCF cb102a3037e49fdd230dfa87a9a6cd9a [0,1,0,0,0,0|3,0,0]=4 83 B6R0.4 CC(=O)CNCF b7881e88fb8b8e6cf10e5a033e11f317 [0,1,0,0,0,0|3,0,0]=4 84 B6R0.4 CC(=O)CNCO 088e087d20fb510bb88def586900e34f [0,1,0,0,0,0|3,0,0]=4 85 B6R0.4 CC(=O)COCF dfbfbe0c756744937aaeae603856ac60 [0,1,0,0,0,0|3,0,0]=4 86 B6R0.4 CC(=O)NCCBr a50b84b8e00a5eea33926a7cde86e5c2 [0,1,0,0,0,0|3,0,0]=4 87 B6R0.4 CC(=O)NCCF 40474d3cc8ff0aef7c3ef76344b9eebb [0,1,0,0,0,0|3,0,0]=4 88 B6R0.4 CC(=O)NCCI baf3590450994f173452759880fb646a [0,1,0,0,0,0|3,0,0]=4 89 B6R0.4 CC(=O)NCCO c7b03ecf194f0f03f4d08fd319920ef5 [0,1,0,0,0,0|3,0,0]=4 90 B6R0.4 CC(=O)NCCS 3cdd66626928bc1a9bac11e682b344a1 [0,1,0,0,0,0|3,0,0]=4 91 B6R0.4 CC(C)CNCF 8978b44d87fa42438515590def89eb79 [0,1,0,0,0,0|3,0,0]=4 92 B6R0.4 CC(C)CNCO c3b5fde83cdd81c2f0ea167064fd2c5c [0,1,0,0,0,0|3,0,0]=4 93 B6R0.4 CC(C)COCF b089fa536e65fca20df885ea5dacd9f2 [0,1,0,0,0,0|3,0,0]=4 94 B6R0.4 CC(C)NCCBr a3900e505497b08f4c9baca17b4fa185 [0,1,0,0,0,0|3,0,0]=4 95 B6R0.4 CC(C)NCCF 3152aefd56bd5a8bc9f6ac7f33a6fcdb [0,1,0,0,0,0|3,0,0]=4 96 B6R0.4 CC(C)NCCI 61300b723cb63b92262a59e1c054336d [0,1,0,0,0,0|3,0,0]=4 97 B6R0.4 CC(C)NCCO 3b0ca7166ca7093e2a2ed1b091b6c5af [0,1,0,0,0,0|3,0,0]=4 98 B6R0.4 CC(C)NCCS cdea7056049e21082f31ef0c239da6f7 [0,1,0,0,0,0|3,0,0]=4 99 B6R0.4 CC(C)OCCF 102209588400e8045c1b7317560b3baf [0,1,0,0,0,0|3,0,0]=4 100 B6R0.4 CC(C)OCCS 9f8fcde0a26cdc1f53f7ed80bebd9fd6 [0,1,0,0,0,0|3,0,0]=4 101 B6R0.4 CC(F)COCF 184378aa5cda319f35eff5a374bd7b36 [0,1,0,0,0,0|3,0,0]=4 102 B6R0.4 CC(O)CNCF 144c0c9eef2933c1009167efe9e078a9 [0,1,0,0,0,0|3,0,0]=4 103 B6R0.4 CC(O)CNCO e374449d449cacbe0a46d6d64f7dfbfc [0,1,0,0,0,0|3,0,0]=4 104 B6R0.4 CC(S)COCF f0912ffde29b0e269706eb1406d36aad [0,1,0,0,0,0|3,0,0]=4 105 B6R0.4 CCCNC(=O)C 2a730f252c249036b45b0d2d9cd73ca4 [0,1,0,0,0,0|3,0,0]=4 106 B6R0.4 CCCNC(C)C 4cc952815a9d9d6816d0fb90ac14a178 [0,1,0,0,0,0|3,0,0]=4 107 B6R0.4 CCCOC(C)C 9e8901dd10ed96aa593b6a5525365a05 [0,1,0,0,0,0|3,0,0]=4 108 B6R0.4 CCNCC(=O)C f174d94c45d739e3b909d0bcb7f774b6 [0,1,0,0,0,0|3,0,0]=4 109 B6R0.4 CCNCC(=O)N 9af72e08b410c4df60bd96241a267974 [0,1,0,0,0,0|2,0,1]=4 110 B6R0.4 CCNCC(C)C 7e39c7f79a4a74429f1ae559b7eef67a [0,1,0,0,0,0|3,0,0]=4 111 B6R0.4 CCNCC(C)O 23f38b24d1514a42c01693786c45a1e6 [0,1,0,0,0,0|3,0,0]=4 112 B6R0.4 CCNCC(F)F 378c0d6ca4a67a557b47e015a9ac5778 [0,1,0,0,0,0|3,0,0]=4 113 B6R0.4 CCNC[C@@H](C)O 72a96453a23c9791f4ab7ea0647d5c76 [0,1,0,0,0,0|3,0,0]=4 114 B6R0.4 CCNC[C@H](C)O 8a893664491d34251811ef315cfcf0f6 [0,1,0,0,0,0|3,0,0]=4 115 B6R0.4 CCOCC(=O)C 810b545b1a0c4af358d406c93928b4de [0,1,0,0,0,0|3,0,0]=4 116 B6R0.4 CCOCC(=O)N 8c3995d7bbe4bbb5793da2590cf6473e [0,1,0,0,0,0|2,0,1]=4 117 B6R0.4 CCOCC(=S)N 193178db836031b13efc39b5ff902efa [0,1,0,0,0,0|2,0,1]=4 118 B6R0.4 CCOCC(C)C 2ccacce0745bb2fe2e67c6f95de49a4c [0,1,0,0,0,0|3,0,0]=4 119 B6R0.4 CCOCC(C)F 44ebcc9497b122666f7d5bc3ab3ef961 [0,1,0,0,0,0|3,0,0]=4 120 B6R0.4 CCOCC(C)S 1b6e2c538b0c5040f1c381953bd73f14 [0,1,0,0,0,0|3,0,0]=4 121 B6R0.4 CCOCC(F)F 7bbeb9fafaa3b77bf5c2f88368607c83 [0,1,0,0,0,0|3,0,0]=4 122 B6R0.4 CCOC[C@@H](C)F 2d70ac2d3ad9d2770f50309e83cd9521 [0,1,0,0,0,0|3,0,0]=4 123 B6R0.4 CCOC[C@H](C)F b1411946299fa054261b7f4dedb203a5 [0,1,0,0,0,0|3,0,0]=4 124 B6R0.4 COCOC(C)C 2db698e0a27d38f57903461e5b8bf21f [0,1,0,0,0,0|2,1,0]=4 125 B6R0.4 CSCOC(C)C df2443d5e1bdbc2f3ac237524c1a32f1 [0,1,0,0,0,0|2,0,0]=3 126 B6R0.4 C[C@@H](F)COCF 2fceb23c1851fd728d248a746424d5d7 [0,1,0,0,0,0|3,0,0]=4 127 B6R0.4 C[C@@H](O)CNCF 8bc2039df53fc164c6fcbe4ce553b9bc [0,1,0,0,0,0|3,0,0]=4 128 B6R0.4 C[C@@H](O)CNCO 41205defeb3accd5b70255f13cc7fa6b [0,1,0,0,0,0|3,0,0]=4 129 B6R0.4 C[C@H](F)COCF e3a81502e05212c96edfcd9edba6a43c [0,1,0,0,0,0|3,0,0]=4 130 B6R0.4 C[C@H](O)CNCF 7add29147fcdb7b1f2a2a32e12f20796 [0,1,0,0,0,0|3,0,0]=4 131 B6R0.4 C[C@H](O)CNCO 9710122b7591011cacd5f47cf98b8818 [0,1,0,0,0,0|3,0,0]=4 132 B6R0.6 C#CCCNCC 1f87af2c40b1a88e3547559e235746b5 [0,1,0,0,0,0|2,0,1]=4 133 B6R0.6 C#CCCNCF bfc0c02c7c41c8e1c322ec2ca3617d4b [0,1,0,0,0,0|2,0,1]=4 134 B6R0.6 C#CCCNCO f58b07d7d9bd44c0ad51ba7b834634f8 [0,1,0,0,0,0|2,0,1]=4 135 B6R0.6 C#CCCOCC 949a5248ab77dc0ee2e21f1625533803 [0,1,0,0,0,0|1,1,1]=4 136 B6R0.6 C#CCCOCF e5402a79d25f6b3b1ad2455faba59ce3 [0,1,0,0,0,0|1,1,1]=4 137 B6R0.6 C#CCNCCBr ccd519e4e57e01a23fbf243cb150f841 [0,1,0,0,0,0|2,0,1]=4 138 B6R0.6 C#CCNCCC 2f565aea009adc9794b09620d2466479 [0,1,0,0,0,0|2,0,1]=4 139 B6R0.6 C#CCNCCF ec678ba5f3a75a9139f485060c9fcb1f [0,1,0,0,0,0|2,0,1]=4 140 B6R0.6 C#CCNCCI dd31821af2502a2e5f32f9d52e751526 [0,1,0,0,0,0|2,0,1]=4 141 B6R0.6 C#CCNCCO 124dd796c248fbe494ff9cd7edce009d [0,1,0,0,0,0|2,0,1]=4 142 B6R0.6 C#CCNCCS 46750995e1363421f0e6d401dbd0285f [0,1,0,0,0,0|2,0,1]=4 143 B6R0.6 C#CCNCOC 731060b1cc2efa280089844c9f08cb4b [0,1,0,0,0,0|1,1,1]=4 144 B6R0.6 C#CCNCSC 69915d57a8223b03b8361fb9c38f7a03 [0,1,0,0,0,0|1,0,1]=3 145 B6R0.6 C#CCOCCC 07db973fd9ed633d1826ec45446b3187 [0,1,0,0,0,0|2,0,1]=4 146 B6R0.6 C#CCOCCF c62af05f9a9be4d9caeeb1a076d989b5 [0,1,0,0,0,0|2,0,1]=4 147 B6R0.6 C#CCOCCS cdf5f7a6749fed2dbb996236fcf00c58 [0,1,0,0,0,0|2,0,1]=4 148 B6R0.6 C#CCOCOC 8c9553a6f766e25bc5c8f801bbc89cc1 [0,1,0,0,0,0|1,1,1]=4 149 B6R0.6 C#CCOCSC 52002a13a3c2019ebe79ada1718575f3 [0,1,0,0,0,0|1,0,1]=3 150 B6R0.6 C/C=C/COCC 38bee8c8a9ca6a51c65d50ef4a373d85 [0,1,0,0,0,0|2,0,1]=4 151 B6R0.6 C/C=C/COCF f876c9a9946a26dc2666a1d7b3c464e2 [0,1,0,0,0,0|2,0,1]=4 152 B6R0.6 C/C=C\COCC ec2c513a47c68c3910a66e2b1ca05a58 [0,1,0,0,0,0|2,0,1]=4 153 B6R0.6 C/C=C\COCF 4437c9e2b6a458c6fd2a427b36a619ed [0,1,0,0,0,0|2,0,1]=4 154 B6R0.6 C=CCCNCC e2aebda5e16fd2d2916f2bc1829c315b [0,1,0,0,0,0|2,0,1]=4 155 B6R0.6 C=CCCNCF fca4fb2fca81e90a9b1427341f54ef98 [0,1,0,0,0,0|2,0,1]=4 156 B6R0.6 C=CCCNCO 0a9cf06e380bbffa5545f8e95188ea7b [0,1,0,0,0,0|2,0,1]=4 157 B6R0.6 C=CCCOCC 6e23d9941af9b2d0c85f8cbdda9dfc6d [0,1,0,0,0,0|1,1,1]=4 158 B6R0.6 C=CCCOCF 1140c1cbcbb8259323b1b9c3ac3dcca1 [0,1,0,0,0,0|1,1,1]=4 159 B6R0.6 C=CCNCCBr d1cd80db7a6870786d1584d60bd0065f [0,1,0,0,0,0|2,0,1]=4 160 B6R0.6 C=CCNCCC 4ba17ed70ce803f63c3c4c2f245e9995 [0,1,0,0,0,0|2,0,1]=4 161 B6R0.6 C=CCNCCF 85f09006962bd46f781b5a9c20f77250 [0,1,0,0,0,0|2,0,1]=4 162 B6R0.6 C=CCNCCI 8e0cfe94ef7f657b46a21b3c9050a31b [0,1,0,0,0,0|2,0,1]=4 163 B6R0.6 C=CCNCCO 2a8b233616661c16d194120eeaddce5b [0,1,0,0,0,0|2,0,1]=4 164 B6R0.6 C=CCNCCS ef73696c34150349c2400a6c9866494e [0,1,0,0,0,0|2,0,1]=4 165 B6R0.6 C=CCOCCC 1dbb1c31b2e886af57d9e977bbb54c80 [0,1,0,0,0,0|2,0,1]=4 166 B6R0.6 C=CCOCCF 5c80aaae5b6c5ce04c06e7032d640ec0 [0,1,0,0,0,0|2,0,1]=4 167 B6R0.6 C=CCOCCS 0645f95678036203e123867906f767b0 [0,1,0,0,0,0|2,0,1]=4 168 B6R0.6 C=CCOCOC 10a689a63bf52a96b5eea3af932877d6 [0,1,0,0,0,0|1,1,1]=4 169 B6R0.6 CC#CCNCC a6f1b76f7ded3d3d75d35a122acc0b8f [0,1,0,0,0,0|2,0,1]=4 170 B6R0.6 CC#CCNCF d261a03a247a2bed60b290348bc27dc3 [0,1,0,0,0,0|2,0,1]=4 171 B6R0.6 CC#CCNCO 34948e879985eaf79856b03117770558 [0,1,0,0,0,0|2,0,1]=4 172 B6R0.6 CC#CCOCC 150599371f7a5020048fdfb73583470c [0,1,0,0,0,0|2,0,1]=4 173 B6R0.6 CC#CCOCF 48d683a32721d3bca47297be0791e472 [0,1,0,0,0,0|2,0,1]=4 174 B6R0.6 CC=CCNCC bcab2e681f9487cbafa8d0c52ed70b5a [0,1,0,0,0,0|2,0,1]=4 175 B6R0.6 CC=CCNCF 92c4cdfc4b494474241467ecc4ab1212 [0,1,0,0,0,0|2,0,1]=4 176 B6R0.6 CC=CCNCO c2d6aa2f6263348f8e93d5ad39fb9704 [0,1,0,0,0,0|2,0,1]=4 177 B6R0.6 CC=CCOCC 1bf4842cf68ff7130be8f9549d740c80 [0,1,0,0,0,0|2,0,1]=4 178 B6R0.6 CC=CCOCF edbe5371c567ee2412f3784e58a84892 [0,1,0,0,0,0|2,0,1]=4 179 B6R0.6 CCCCNC#N 2fcfe24b87d3fb74c30aadce76da6bba [0,1,0,0,0,0|1,0,2]=4 180 B6R0.6 CCCCNC=O 1d6cf15c52b7bdddc1e5bbdb0b9deb3d [0,1,0,0,0,0|2,0,1]=4 181 B6R0.6 CCCCNCC 92b5580e2e0a5bde623d85d4114fa5b8 [0,1,0,0,0,0|2,0,0]=3 182 B6R0.6 CCCCNCF 2dc017f5f1e2c9397dbf0c4166cd224f [0,1,0,0,0,0|2,0,0]=3 183 B6R0.6 CCCCNCO 618fd93ff0c440b25c4141ff5dfc5703 [0,1,0,0,0,0|2,0,0]=3 184 B6R0.6 CCCCOCC 95dd02bf16a1c429e6d73e015abd355f [0,1,0,0,0,0|1,1,0]=3 185 B6R0.6 CCCCOCF 0477e5eebf9ea464372af9c3f610bbb3 [0,1,0,0,0,0|1,1,0]=3 186 B6R0.6 CCCNCC#N 700c5060d13b84376c28debe23872de5 [0,1,0,0,0,0|1,0,2]=4 187 B6R0.6 CCCNCC=O 6f90aab08cc8a4799f8c9819fe03dcf0 [0,1,0,0,0,0|2,0,1]=4 188 B6R0.6 CCCNCCBr 4580e94d6156274002f94ca88fed008a [0,1,0,0,0,0|2,0,0]=3 189 B6R0.6 CCCNCCC 1b094650055fd0b18522f92a665c0499 [0,1,0,0,0,0|2,0,0]=3 190 B6R0.6 CCCNCCF 735cf6bc8c20816e92fa14d59534e4a3 [0,1,0,0,0,0|2,0,0]=3 191 B6R0.6 CCCNCCI 005cf13853f56eac57a7dac0ea522018 [0,1,0,0,0,0|2,0,0]=3 192 B6R0.6 CCCNCCO 6b27698ebbebd4cb74f83b272f0d15e6 [0,1,0,0,0,0|2,0,0]=3 193 B6R0.6 CCCNCCS 99a3fb47b747dc1242515be7d85bbd80 [0,1,0,0,0,0|2,0,0]=3 194 B6R0.6 CCCNCOC e97c2d5a22ce001afa1236daa1cad7bc [0,1,0,0,0,0|1,1,0]=3 195 B6R0.6 CCCNCSC 9d2bba1337aa149b0d3e1fa022653bf5 [0,1,0,0,0,0|1,0,0]=2 196 B6R0.6 CCCOCC#N e105adcae6a2d05300d2abe580f4db2b [0,1,0,0,0,0|1,0,2]=4 197 B6R0.6 CCCOCC=O a311990c6ea11edb5945b3bbc64330c1 [0,1,0,0,0,0|2,0,1]=4 198 B6R0.6 CCCOCCC 0a4e87c7914309a78635e74e08d2777c [0,1,0,0,0,0|2,0,0]=3 199 B6R0.6 CCCOCCF 89739e8ca8e097a040faf9b1b5d8fe97 [0,1,0,0,0,0|2,0,0]=3 200 B6R0.6 CCCOCCS 0132493e794a98d77c26358a94dc4e29 [0,1,0,0,0,0|2,0,0]=3 201 B6R0.6 CCCOCOC c11e71c41afe194d616e687f4176c864 [0,1,0,0,0,0|1,1,0]=3 202 B6R0.6 CCCOCSC 1c1d3e4eeaee5d66440c30d368585d8f [0,1,0,0,0,0|1,0,0]=2 203 B6R0.6 CCNCCC#N c72118a2f8fbc184811608d26943fad0 [0,1,0,0,0,0|1,0,2]=4 204 B6R0.6 CCNCCCCl f420c80c72cde7ae412c1f8074858784 [0,1,0,0,0,0|2,0,0]=3 205 B6R0.6 CCNCCCO 8cb6c3a632b620aeb28c86d99bc4b414 [0,1,0,0,0,0|2,0,0]=3 206 B6R0.6 CCNCCOC f1fb223c89b0752d151e88a41e5b29d9 [0,1,0,0,0,0|1,1,0]=3 207 B6R0.6 CCNCCON 8ffd4b6dce6c6f323c5766eadd20f707 [0,1,0,0,0,0|2,0,0]=3 208 B6R0.6 CCNCCSC 3a09ff3676749a10d2a9ca69484831c2 [0,1,0,0,0,0|1,0,0]=2 209 B6R0.6 CCOCCC#N d9853a6ec1c1aeff0229e06f57e329f8 [0,1,0,0,0,0|0,1,2]=4 210 B6R0.6 CCOCCC=O d3b853feb6192f624a9d6e96cbf29efa [0,1,0,0,0,0|1,1,1]=4 211 B6R0.6 CCOCCCF c39806e94fc6c284e7443799411e61ef [0,1,0,0,0,0|1,1,0]=3 212 B6R0.6 CCOCCCS 1518d71ef49a78a374e5431ada0f3cb8 [0,1,0,0,0,0|1,1,0]=3 213 B6R0.6 CCOCCOC dd0438a106c25c5532b546a1007f90ac [0,1,0,0,0,0|1,1,0]=3 214 B6R0.6 CCOCCSC 5ebca3b7e051ee8b31eb2b56fedcebce [0,1,0,0,0,0|1,0,0]=2 215 B6R0.6 COCCNC#N c7f53ce2573b022a6239a28d1a5e471a [0,1,0,0,0,0|0,1,2]=4 216 B6R0.6 COCCNC=O a492c5e448492de86be811dda47a14fa [0,1,0,0,0,0|1,1,1]=4 217 B6R0.6 COCCNCF e77dc04900c9c99d5994a5d30132520a [0,1,0,0,0,0|1,1,0]=3 218 B6R0.6 COCCNCO aeefc508a99790e9ff885514143e167b [0,1,0,0,0,0|1,1,0]=3 219 B6R0.6 COCCOCF c6fb5a621cf5e8cd94e24b0621578457 [0,1,0,0,0,0|1,1,0]=3 220 B6R0.6 COCNCC#N d7534ed2d124b74839dfe7c51cb3eb01 [0,1,0,0,0,0|0,1,2]=4 221 B6R0.6 COCNCCBr cc0c7490b746ceca79f01407d355ea03 [0,1,0,0,0,0|1,1,0]=3 222 B6R0.6 COCNCCF 2f29adbcc69c16fb45653c78fbf21233 [0,1,0,0,0,0|1,1,0]=3 223 B6R0.6 COCNCCI 397b4e96463dc133fb2c78ebc9b4b8aa [0,1,0,0,0,0|1,1,0]=3 224 B6R0.6 COCNCCO d157601c59ef2c697e67935359e46769 [0,1,0,0,0,0|1,1,0]=3 225 B6R0.6 COCNCCS 786afdf72bf335f5d127e835a740393a [0,1,0,0,0,0|1,1,0]=3 226 B6R0.6 COCOCC#N 764be25d1fe6d7509c53a5289ba9b4c6 [0,1,0,0,0,0|0,1,2]=4 227 B6R0.6 COCOCC=O 8fbd0ca4cabb5e823c04e12302889616 [0,1,0,0,0,0|1,1,1]=4 228 B6R0.6 COCOCCF 2e4d69c3ff16b703ccfaad8173ebee7c [0,1,0,0,0,0|1,1,0]=3 229 B6R0.6 COCOCCS fcfa81efb868e68483c1465ed07af8f4 [0,1,0,0,0,0|1,1,0]=3 230 B6R0.6 COCOCOC d3131f37af1710bbb3d5077bedf5507c [0,1,0,0,0,0|2,1,0]=4 231 B6R0.6 COCOCSC 260c220356aac0c84d20de9f8b1dabb1 [0,1,0,0,0,0|2,0,0]=3 232 B6R0.6 CSCCNC#N 600fd746ec0d58a2c56bd925339f8673 [0,1,0,0,0,0|0,0,2]=3 233 B6R0.6 CSCCNC=O 64c5f2b7b4373c36dc6e266bf8eaef67 [0,1,0,0,0,0|1,0,1]=3 234 B6R0.6 CSCCNCF f9e826d56784386e3fbd3943c2c335d4 [0,1,0,0,0,0|1,0,0]=2 235 B6R0.6 CSCCNCO d257ffa86b2e710c05d83eea0cd201f0 [0,1,0,0,0,0|1,0,0]=2 236 B6R0.6 CSCCOCF e4905492719aa8fe7bcec7641ead64f3 [0,1,0,0,0,0|1,0,0]=2 237 B6R0.6 CSCNCC#N 078cbee6de3daa83b37e1cc1437722ce [0,1,0,0,0,0|0,0,2]=3 238 B6R0.6 CSCNCCBr bcad065c861badf94807934e6680f65f [0,1,0,0,0,0|1,0,0]=2 239 B6R0.6 CSCNCCF 80c1e887cd7ee5f3261a9c98dd841f62 [0,1,0,0,0,0|1,0,0]=2 240 B6R0.6 CSCNCCI d531c5e507282acb11ff5d835981aa6c [0,1,0,0,0,0|1,0,0]=2 241 B6R0.6 CSCNCCO e6ff3afea97e31bf42a862cf845047cf [0,1,0,0,0,0|1,0,0]=2 242 B6R0.6 CSCNCCS b1c5df5844cf8935aabb3648e61465f2 [0,1,0,0,0,0|1,0,0]=2 243 B6R0.6 CSCOCC#N 86a9322be62d2f60d6a769d9f5959c98 [0,1,0,0,0,0|0,0,2]=3 244 B6R0.6 CSCOCCF 79adbc24d28c875ba839b99727b1e512 [0,1,0,0,0,0|1,0,0]=2 245 B6R0.6 CSCOCCS 4bd5c15be5c967caa94433f55b38b0fd [0,1,0,0,0,0|1,0,0]=2 246 B6R0.6 FCCCOCF 0d2e96eb165fd76b18d8df4690900872 [0,1,0,0,0,0|1,1,0]=3 247 B6R0.6 FCCNCCBr c0dd83437a27180e7ee1639145895f8f [0,1,0,0,0,0|3,0,0]=4 248 B6R0.6 FCCNCCF 6bada8e319adf5ac09144c46a4ecaa71 [0,1,0,0,0,0|3,0,0]=4 249 B6R0.6 FCCNCCI 6f97b887bfc0689337515f90a40660b8 [0,1,0,0,0,0|3,0,0]=4 250 B6R0.6 FCCNCCS 5771e4e946cf04a10b11168c2a26cfba [0,1,0,0,0,0|3,0,0]=4 251 B6R0.6 FCCOCCF 834b8c77ba6896712d1d6af7c59dbfbc [0,1,0,0,0,0|3,0,0]=4 252 B6R0.6 FCCOCCS e5c5db3e08a0f53018e2b973416b7c32 [0,1,0,0,0,0|3,0,0]=4 253 B6R0.6 FCNCCCCl 44349a2e6a1b6f1dc0f8b9fd71ed7936 [0,1,0,0,0,0|2,0,0]=3 254 B6R0.6 FCOCCCS d4006571dbef2280a4ff5f23f38e7165 [0,1,0,0,0,0|1,1,0]=3 255 B6R0.6 N#CCCNCF ad2bd287dcd35fb96f7e3b50872150dd [0,1,0,0,0,0|1,0,2]=4 256 B6R0.6 N#CCCNCO f13d0ed253562d12e073016f87b36d51 [0,1,0,0,0,0|1,0,2]=4 257 B6R0.6 N#CCCOCF ad9f2d4c11e9f2620e210c80fa91c9b0 [0,1,0,0,0,0|0,1,2]=4 258 B6R0.6 N#CCNCCBr 0446408ac67472c3f117afedda925721 [0,1,0,0,0,0|3,0,0]=4 259 B6R0.6 N#CCNCCF 0fe01b7623bdbba61bc54c723f18d11d [0,1,0,0,0,0|3,0,0]=4 260 B6R0.6 N#CCNCCI c8669caeb20984eb6f57893dbdc4deb7 [0,1,0,0,0,0|3,0,0]=4 261 B6R0.6 N#CCNCCO 02ac8da78bc91b463ae8a1a8af800d30 [0,1,0,0,0,0|3,0,0]=4 262 B6R0.6 N#CCNCCS 201b825e41b67b3a3f0d1ddd78e09500 [0,1,0,0,0,0|3,0,0]=4 263 B6R0.6 N#CCOCCF a1053cc79ef9f30ddeb27ec16b94a5ba [0,1,0,0,0,0|3,0,0]=4 264 B6R0.6 N#CCOCCS 0fd93ad5ad6ac5ec81f01766264bbfba [0,1,0,0,0,0|3,0,0]=4 265 B6R0.6 N#CNCCCF bafce70d703899503344865cbdf8b642 [0,1,0,0,0,0|2,0,1]=4 266 B6R0.6 N#CNCCCO 25dc7b5f5ac7b192bc9c580017fb28a4 [0,1,0,0,0,0|2,0,1]=4 267 B6R0.6 N#CNCCCS 779323b21cf6943c3dc6826112ae19e6 [0,1,0,0,0,0|2,0,1]=4 268 B6R0.6 NOCCNC=O 3cd8cf494bfdeac35a731656d378f284 [0,1,0,0,0,0|2,0,1]=4 269 B6R0.6 NOCCNCF 1c79587092c061e11e836d9fef4b4b74 [0,1,0,0,0,0|2,0,0]=3 270 B6R0.6 NOCCNCO 0cc9440611ac9dd9d9295e962a3dd39a [0,1,0,0,0,0|2,0,0]=3 271 B6R0.6 O=CCCOCF 8caf1bfe380e15fd4f770dc31d80b710 [0,1,0,0,0,0|1,1,1]=4 272 B6R0.6 O=CCNCCBr 7f568f9e360d41a253fcf8819356fa07 [0,1,0,0,0,0|3,0,0]=4 273 B6R0.6 O=CCNCCF dd3d83ca6df75c2a1eb5d1658b3a79f1 [0,1,0,0,0,0|3,0,0]=4 274 B6R0.6 O=CCNCCI 6fab095304600b7f13dbb8e04b2ca4cb [0,1,0,0,0,0|3,0,0]=4 275 B6R0.6 O=CCNCCO e6f1437c7e7236c4dcd52e0503433b68 [0,1,0,0,0,0|3,0,0]=4 276 B6R0.6 O=CCNCCS 370a4d5b8fa12c00fc5b9baca6825542 [0,1,0,0,0,0|3,0,0]=4 277 B6R0.6 O=CCOCCF 52eac958c7e22959ee04b75c2f64dd9f [0,1,0,0,0,0|3,0,0]=4 278 B6R0.6 O=CCOCCS 87be380c7b8a8ef700f2d28d409dd9de [0,1,0,0,0,0|3,0,0]=4 279 B6R0.6 O=CNCCCCl 3c2b93c26ca4c02fdf2ab75c703ceca5 [0,1,0,0,0,0|2,0,1]=4 280 B6R0.6 O=CNCCCO a96c8d7ee94dc67d16d365c33488e6be [0,1,0,0,0,0|2,0,1]=4 281 B6R0.6 OCCCNCF d0f340a016e65bbf382f89af7024bb1f [0,1,0,0,0,0|2,0,0]=3 282 B6R0.6 OCCCNCO 61393d5d06c9202c0b94fa047d6ff099 [0,1,0,0,0,0|2,0,0]=3 283 B6R0.6 OCCNCCBr 0fc2af5bc6b566cb15b8698ad81d8a28 [0,1,0,0,0,0|3,0,0]=4 284 B6R0.6 OCCNCCF d8f328cc7923b202178773c12bcca59d [0,1,0,0,0,0|3,0,0]=4 285 B6R0.6 OCCNCCI 5ea510c923b7656c706e335f0707f13f [0,1,0,0,0,0|3,0,0]=4 286 B6R0.6 OCCNCCO 5ec55d5ff951afeb186b052871d5aed1 [0,1,0,0,0,0|3,0,0]=4 287 B6R0.6 OCCNCCS 3dc5bdb4440e31f22d01b06893c66b5e [0,1,0,0,0,0|3,0,0]=4 288 B6R0.6 OCNCCCCl b5a3a94f1af195c7e59393df3fce5e89 [0,1,0,0,0,0|2,0,0]=3 289 B6R0.6 SCCNCCBr c48d02c84e30a7b9706b2ad380ca4923 [0,1,0,0,0,0|3,0,0]=4 290 B6R0.6 SCCNCCI 36ec37d0883791420ffed69138b467d3 [0,1,0,0,0,0|3,0,0]=4 291 B6R0.6 SCCNCCS 69e177fa948b956df81550ba37304c74 [0,1,0,0,0,0|3,0,0]=4 292 B6R0.6 SCCOCCS 87c2cb04f9bb7dbaacc12a2547a6f936 [0,1,0,0,0,0|3,0,0]=4 293 B6R1.3 CCNC1CC1 ac3981af76d7269974e900b3cfc5de71 [0,0,0,1,0,0|3,0,0]=4 294 B6R1.3 CCOC1CC1 2c69a519fd7808244f9f88e8c40da7c1 [0,0,0,1,0,0|3,0,0]=4 295 B6R1.3 FCNC1CC1 1715feed97cb051cb760323cf608febe [0,0,0,1,0,0|3,0,0]=4 296 B6R1.3 FCOC1CC1 c80b7a723f6ace17df2859b2130f1eb6 [0,0,0,1,0,0|3,0,0]=4 297 B6R1.3 OCNC1CC1 101960c0f522708da07270474b234f44 [0,0,0,1,0,0|3,0,0]=4 298 B6R1.6 CCN1CCC1 23b7abd822d5f351048cbd744915c161 [0,0,0,1,0,0|3,0,0]=4 299 B6R1.6 FCN1CCC1 be36fe433e3b5fde99e14f4c177c697e [0,0,0,1,0,0|3,0,0]=4 300 B6R1.6 OCN1CCC1 f3cac714768fc30717bf6da5686dc581 [0,0,0,1,0,0|3,0,0]=4 301 B5R0.1 CC(C)OCF fea4e57e7bb4fa505ef4ea18bd2ede99 [1,1,0,0,0,0|2,0,0]=4 302 B5R0.1 CCOC(C)C e40579e838af0384b34ea3d488054b89 [1,1,0,0,0,0|2,0,0]=4 303 B5R0.3 CCN(C)CC ab5b03184b17818ff0d4295949ca4956 [1,1,0,0,0,0|2,0,0]=4 304 B5R0.3 CCN(C)CF f1609b6f0307b235e83ada8bb1f6ec70 [1,1,0,0,0,0|2,0,0]=4 305 B5R0.3 CCN(C)CO 992ae963459eb3513b2ca42228fd2ef7 [1,1,0,0,0,0|2,0,0]=4 306 B7R0.3 C#CC(C)NCSC 434c4c9786a3911e5c250e046533c62b [0,2,0,0,0,0|1,0,1]=4 307 B7R0.3 C#CC(C)OCSC a9126d93da8afb9e755338e1f2ad5cd7 [0,2,0,0,0,0|1,0,1]=4 308 B7R0.3 C#C[C@@H](C)NCSC 8f6e840d3701f2c63b7704ceead9241a [0,2,0,0,0,0|1,0,1]=4 309 B7R0.3 C#C[C@@H](C)OCSC 060fcb199844a627b435f5fafc8ceb52 [0,2,0,0,0,0|1,0,1]=4 310 B7R0.3 C#C[C@H](C)NCSC 30c5342dedc1c53040a94f0706e543bc [0,2,0,0,0,0|1,0,1]=4 311 B7R0.3 C#C[C@H](C)OCSC f64fdd53dcb15fef3872aae26753e4e1 [0,2,0,0,0,0|1,0,1]=4 312 B7R0.3 C=CC(C)NCSC 00b0f67e17f5d1856f1ea6c73d24d2b6 [0,2,0,0,0,0|1,0,1]=4 313 B7R0.3 C=CC(C)OCSC 359f7f1d84b7f76c37b0f03448dae423 [0,2,0,0,0,0|1,0,1]=4 314 B7R0.3 C=C[C@H](C)OCSC 542e0c94386f5c75ff061222cd69cc9b [0,2,0,0,0,0|1,0,1]=4 315 B7R0.3 CC(CO)CNCF 8062cd63b1d1a450c851a630bc24bbef [0,2,0,0,0,0|2,0,0]=4 316 B7R0.3 CC(CO)CNCO 21fb23aa708a9b1afe928be1d7d3777a [0,2,0,0,0,0|2,0,0]=4 317 B7R0.3 CCC(C)CNCF b50ea40d2446dde4a785720e8c9ab76e [0,2,0,0,0,0|2,0,0]=4 318 B7R0.3 CCC(C)CNCO a95514de2db5be0c68571e33ca613f6e [0,2,0,0,0,0|2,0,0]=4 319 B7R0.3 CCC(C)COCF d83d0a95392ef09a2490e51164140783 [0,2,0,0,0,0|1,1,0]=4 320 B7R0.3 CCC(C)NCCBr a824f3363a2868a7206559546a3484f0 [0,2,0,0,0,0|2,0,0]=4 321 B7R0.3 CCC(C)NCCF 2a8d3394dec4d41ce38c860bf4ab17dd [0,2,0,0,0,0|2,0,0]=4 322 B7R0.3 CCC(C)NCCI 6c2db2487fbf25506eed8cabe391bbb0 [0,2,0,0,0,0|2,0,0]=4 323 B7R0.3 CCC(C)NCCO 513c7a6bd13dc3bbf026a87954b89604 [0,2,0,0,0,0|2,0,0]=4 324 B7R0.3 CCC(C)NCCS 7a8d315a94e5493fa661ae8da8c0d7d5 [0,2,0,0,0,0|2,0,0]=4 325 B7R0.3 CCC(C)NCOC 7706fa764743624f662862fda01b7a28 [0,2,0,0,0,0|1,1,0]=4 326 B7R0.3 CCC(C)NCSC c04eb7da5ed0a2a03e68485c2016666a [0,2,0,0,0,0|1,0,0]=3 327 B7R0.3 CCC(C)OCCF b50b83f4cc04a33902077c0b3a238cbc [0,2,0,0,0,0|2,0,0]=4 328 B7R0.3 CCC(C)OCCS 0b195719e1e4b78092bc0c0213134f4f [0,2,0,0,0,0|2,0,0]=4 329 B7R0.3 CCC(C)OCOC 7b2a5b8cb8aef52b76ee0f9de192d2d0 [0,2,0,0,0,0|1,1,0]=4 330 B7R0.3 CCC(C)OCSC a5a0b25f047959799e9ece96fa20b187 [0,2,0,0,0,0|1,0,0]=3 331 B7R0.3 CCC(O)CNCF 7b1de8624516487080ebd1a2aadc352e [0,2,0,0,0,0|2,0,0]=4 332 B7R0.3 CCC(O)CNCO 979e1feff1eac75f1747d85e3216f621 [0,2,0,0,0,0|2,0,0]=4 333 B7R0.3 CCCCN(C)C=O 9e1fd6b74517af7f400dd8faea413d3e [0,2,0,0,0,0|2,0,0]=4 334 B7R0.3 CCCCN(C)CC 89876d3ca82726715f2f995cd8bda708 [0,2,0,0,0,0|2,0,0]=4 335 B7R0.3 CCCCN(C)CF be372279d4be2902bb76b9de8a48abc5 [0,2,0,0,0,0|2,0,0]=4 336 B7R0.3 CCCCN(C)CO 3f062a8d7718607e7a9f891ee2c89bec [0,2,0,0,0,0|2,0,0]=4 337 B7R0.3 CCCNC(C)CC 943eb030d61b8e5bd9a7ef7a782a9e18 [0,2,0,0,0,0|2,0,0]=4 338 B7R0.3 CCCNC(C)CO ef58a4cf57fdde87a0f1c08020c4e142 [0,2,0,0,0,0|2,0,0]=4 339 B7R0.3 CCCN[C@@H](C)CC 9b5d6f86dd01bda6e2759939f83bc7a8 [0,2,0,0,0,0|2,0,0]=4 340 B7R0.3 CCCN[C@@H](C)CO 9717e8befa87e4e1275959dce684e068 [0,2,0,0,0,0|2,0,0]=4 341 B7R0.3 CCCN[C@H](C)CC 1516fdad8637f0b3c763f64cc7a7beb7 [0,2,0,0,0,0|2,0,0]=4 342 B7R0.3 CCCN[C@H](C)CO 7bbdc293a56e3b9e5394e782c67eaddd [0,2,0,0,0,0|2,0,0]=4 343 B7R0.3 CCCOC(C)CC 98a624a488dc392a35e8b0b44aac3f30 [0,2,0,0,0,0|2,0,0]=4 344 B7R0.3 CCCOC(C)CF 9754423e03bd9c1680aa4f64130d3218 [0,2,0,0,0,0|2,0,0]=4 345 B7R0.3 CCCOC(C)CS 3831bbe85ee4c34ff42a76d0b53dbb5c [0,2,0,0,0,0|2,0,0]=4 346 B7R0.3 CCCO[C@@H](C)CC af9e77ade15ce19a7659cd0cba0e805a [0,2,0,0,0,0|2,0,0]=4 347 B7R0.3 CCCO[C@H](C)CC aceb38a7b284bb9c5e1ae0a6fb45caa0 [0,2,0,0,0,0|2,0,0]=4 348 B7R0.3 CCCO[C@H](C)CS 34c71dbcb154ce995a79e0481e98962a [0,2,0,0,0,0|2,0,0]=4 349 B7R0.3 CCN(C)CCCF 58d987982e58376deaac7a021f590114 [0,2,0,0,0,0|2,0,0]=4 350 B7R0.3 CCN(C)CCCO b1a93de8904fff1ed54369ee01ff1bc7 [0,2,0,0,0,0|2,0,0]=4 351 B7R0.3 CCN(C)CCCS 4332e180b042c428772cc564602cf5d6 [0,2,0,0,0,0|2,0,0]=4 352 B7R0.3 CCN(C)CCOC 4abfef839ac1a01d5b0d90f7c9bd6930 [0,2,0,0,0,0|1,1,0]=4 353 B7R0.3 CCN(C)CCON dca6e8ee84d04b2409e73b61f0963e17 [0,2,0,0,0,0|2,0,0]=4 354 B7R0.3 CCN(C)CCSC 4e1bdb1a0d6eba176a369aa29a4d6d63 [0,2,0,0,0,0|1,0,0]=3 355 B7R0.3 CCNCC(Br)CBr d36ffe1e96eb7cbab2cfb7f783eab3ca [0,2,0,0,0,0|2,0,0]=4 356 B7R0.3 CCNCC(C)CC 1a6ded6349edd095188d6a9fb8900c29 [0,2,0,0,0,0|2,0,0]=4 357 B7R0.3 CCNCC(C)CO ded6e5c82cb05dc8e16cf8630e1ca3b5 [0,2,0,0,0,0|2,0,0]=4 358 B7R0.3 CCNCC(F)CO 117f22342a13aa75ee6537d043ca9a79 [0,2,0,0,0,0|2,0,0]=4 359 B7R0.3 CCNCC(O)CC dc31e5e4e5da5852b809f33f35b18fd2 [0,2,0,0,0,0|2,0,0]=4 360 B7R0.3 CCNCC(O)CO 912f6e9829a436a31980d4e7e51ccc17 [0,2,0,0,0,0|2,0,0]=4 361 B7R0.3 CCNC[C@@H](C)CC 79edf92db75b8292301b7cbe642600de [0,2,0,0,0,0|2,0,0]=4 362 B7R0.3 CCNC[C@@H](C)OC 6e88fe4f7175c837d5238f2168d0e9a3 [0,2,0,0,0,0|1,1,0]=4 363 B7R0.3 CCNC[C@@H](F)CO 67c2661f5a7f3a3662b0ed433a86c18e [0,2,0,0,0,0|2,0,0]=4 364 B7R0.3 CCNC[C@@H](O)CO 3dd3012db0550f06ef7a0ae24c6afc49 [0,2,0,0,0,0|2,0,0]=4 365 B7R0.3 CCNC[C@H](C)CO ef051a7bca96170e9f6bad04a99231e7 [0,2,0,0,0,0|2,0,0]=4 366 B7R0.3 CCNC[C@H](C)OC 0584eeded494335d50fae9461e407d42 [0,2,0,0,0,0|1,1,0]=4 367 B7R0.3 CCNC[C@H](F)CO f2842022ba0aab28ac2537444b2b8a9e [0,2,0,0,0,0|2,0,0]=4 368 B7R0.3 CCNC[C@H](O)CC b4686830d8510fcc2b704c38b72f0503 [0,2,0,0,0,0|2,0,0]=4 369 B7R0.3 CCNC[C@H](O)CO f2bf6c02d84b0a754d29868d7e541576 [0,2,0,0,0,0|2,0,0]=4 370 B7R0.3 CCOCC(Br)CBr 899bba2d1c5835949acb4e9662ed4011 [0,2,0,0,0,0|1,1,0]=4 371 B7R0.3 CCOCC(C)CC b48ffd68a9924a596413f28a1f26cd9a [0,2,0,0,0,0|1,1,0]=4 372 B7R0.3 CCOCC(C)OC 00214de46f1604d32f121bd91c115789 [0,2,0,0,0,0|1,1,0]=4 373 B7R0.3 CCOCC(Cl)CCl 72c4c6886b79925133380a5669de62f5 [0,2,0,0,0,0|1,1,0]=4 374 B7R0.3 CCOCC(S)CS d80bb4af4d3d9e7ea521ee7f1ce8c4cb [0,2,0,0,0,0|1,1,0]=4 375 B7R0.3 CCOC[C@@H](C)CC 24d1c149f27d56a7b1370d3d84a93c4a [0,2,0,0,0,0|1,1,0]=4 376 B7R0.3 CCOC[C@@H](C)OC ecceb3df9b78b58b5b76fdc0f6911e92 [0,2,0,0,0,0|1,1,0]=4 377 B7R0.3 CCOC[C@H](C)CC e4857d3b038c108c7619c84891e8a2f7 [0,2,0,0,0,0|1,1,0]=4 378 B7R0.3 CCOC[C@H](C)OC fd13d8de7d92a89af8eab0e711a6bd02 [0,2,0,0,0,0|1,1,0]=4 379 B7R0.3 CC[C@@H](C)COCF 27ee9a97e87757a57bbd2473b47c8a0b [0,2,0,0,0,0|1,1,0]=4 380 B7R0.3 CC[C@@H](C)NCCF 93d07692499e3b9aec2552214e2ff53f [0,2,0,0,0,0|2,0,0]=4 381 B7R0.3 CC[C@@H](C)NCCO 72cce7ce1a4c2aadd49ed6fa51eb30e5 [0,2,0,0,0,0|2,0,0]=4 382 B7R0.3 CC[C@@H](C)NCCS 34946916ab9d46b94332e25fb6d97f4b [0,2,0,0,0,0|2,0,0]=4 383 B7R0.3 CC[C@@H](C)NCOC 6f18e43812c50f5929ea1f0282d55276 [0,2,0,0,0,0|1,1,0]=4 384 B7R0.3 CC[C@@H](C)NCSC b2ccc0121f9ed49266567b6f15a655a0 [0,2,0,0,0,0|1,0,0]=3 385 B7R0.3 CC[C@@H](C)OCCF 9a9e445f08d44c81e417052c615c3334 [0,2,0,0,0,0|2,0,0]=4 386 B7R0.3 CC[C@@H](C)OCCS c58b0dc1d2db79db526d0ab1218bffc7 [0,2,0,0,0,0|2,0,0]=4 387 B7R0.3 CC[C@@H](C)OCOC 5dd2de1ba91f6cde19e7a670f775c35c [0,2,0,0,0,0|1,1,0]=4 388 B7R0.3 CC[C@@H](C)OCSC 07780bc57acd6b7b99e87c445c42d82f [0,2,0,0,0,0|1,0,0]=3 389 B7R0.3 CC[C@@H](O)CNCF 7d1b814c6cda97ec1056049a0891a12c [0,2,0,0,0,0|2,0,0]=4 390 B7R0.3 CC[C@@H](O)CNCO 3c3de5c9d0ff6c16983c8a1b36ce8a94 [0,2,0,0,0,0|2,0,0]=4 391 B7R0.3 CC[C@H](C)CNCF d271465589c016cce21e3753bb72dfde [0,2,0,0,0,0|2,0,0]=4 392 B7R0.3 CC[C@H](C)CNCO 0fe58ceb43d0411047b54aeefa27fcda [0,2,0,0,0,0|2,0,0]=4 393 B7R0.3 CC[C@H](C)COCF 4d1b50442964dee0f36120907b5bf9ca [0,2,0,0,0,0|1,1,0]=4 394 B7R0.3 CC[C@H](C)NCCF c11007e79ee49cb1e974e79b53eb68c8 [0,2,0,0,0,0|2,0,0]=4 395 B7R0.3 CC[C@H](C)NCCO 14df35d641eb74814d616543d777742c [0,2,0,0,0,0|2,0,0]=4 396 B7R0.3 CC[C@H](C)NCCS e1691e0903c1eea23ce2232b4f4ff483 [0,2,0,0,0,0|2,0,0]=4 397 B7R0.3 CC[C@H](C)NCOC 487baefd593a366fd401fe5a0b33d07a [0,2,0,0,0,0|1,1,0]=4 398 B7R0.3 CC[C@H](C)NCSC b4999c020810a33e4d86f949175dda2d [0,2,0,0,0,0|1,0,0]=3 399 B7R0.3 CC[C@H](C)OCCF b495df4c5acd12e724246ab7aab5bcc3 [0,2,0,0,0,0|2,0,0]=4 400 B7R0.3 CC[C@H](C)OCCS d78ff3c7dda26d3bc7cef65283cd3558 [0,2,0,0,0,0|2,0,0]=4 401 B7R0.3 CC[C@H](C)OCOC 841bb4da5d82dffee5f6f29fdb10c40b [0,2,0,0,0,0|1,1,0]=4 402 B7R0.3 CC[C@H](C)OCSC 879c6380126ff9fd0bdc6f15a431ea23 [0,2,0,0,0,0|1,0,0]=3 403 B7R0.3 CN(C=O)CCCO d9d91dbce26e2eec91c5287e49989c6b [0,2,0,0,0,0|2,0,0]=4 404 B7R0.3 CN(C=O)CCON d47ef5089d159dbeeea35383bc86b277 [0,2,0,0,0,0|2,0,0]=4 405 B7R0.3 CN(CF)CCCO d4f0b34db0d9c626af3b938b320480ee [0,2,0,0,0,0|2,0,0]=4 406 B7R0.3 CN(CF)CCON b28b71744b9420d3fe5bec0f9f3e697f [0,2,0,0,0,0|2,0,0]=4 407 B7R0.3 CN(CO)CCCO 50d216450d408b356dcec2a42a299a65 [0,2,0,0,0,0|2,0,0]=4 408 B7R0.3 CN(CO)CCON 9c2ef7d0d0911f18089b0c9ab5d1316f [0,2,0,0,0,0|2,0,0]=4 409 B7R0.3 COC(C)COCF c722a3f5401ca397f89df05f571bb3b2 [0,2,0,0,0,0|1,1,0]=4 410 B7R0.3 COCCN(C)CF cbc818a22d9e0a334cc2dbb905dc990d [0,2,0,0,0,0|1,1,0]=4 411 B7R0.3 COCCN(C)CO f3ab77dcf49e4ea629dcebe32a49a2b1 [0,2,0,0,0,0|1,1,0]=4 412 B7R0.3 COCNC(C)CO d9fc4f8dca5bf8aac173b2beda690449 [0,2,0,0,0,0|1,1,0]=4 413 B7R0.3 COCN[C@@H](C)CO 9f63bce992902a4f83c57ec0b08063e7 [0,2,0,0,0,0|1,1,0]=4 414 B7R0.3 COCN[C@H](C)CO c2d3c8f32c0c9b24129dc2255add4931 [0,2,0,0,0,0|1,1,0]=4 415 B7R0.3 COCOC(C)CF 6a9dcf8f1b1aaa2624756f79d32e8649 [0,2,0,0,0,0|1,1,0]=4 416 B7R0.3 CO[C@@H](C)CNCF d565ed3e1243bb1223e9664c2fc97af8 [0,2,0,0,0,0|1,1,0]=4 417 B7R0.3 CO[C@@H](C)CNCO ff28fd2c886f6ee1545aaf943963c99e [0,2,0,0,0,0|1,1,0]=4 418 B7R0.3 CO[C@@H](C)COCF 6e6ff1c74d26861c98bac3895e10d598 [0,2,0,0,0,0|1,1,0]=4 419 B7R0.3 CO[C@H](C)CNCF ceaa416f9fa3f4676b4c6f05e53da533 [0,2,0,0,0,0|1,1,0]=4 420 B7R0.3 CO[C@H](C)CNCO ef2aaae2be2c576592de749a4d18a6e8 [0,2,0,0,0,0|1,1,0]=4 421 B7R0.3 CO[C@H](C)COCF 0c169ac11c6c9290a799aeebebac70a7 [0,2,0,0,0,0|1,1,0]=4 422 B7R0.3 CSCCN(C)C=O a6a4e8ea5b94212ce62d31147e5f4a78 [0,2,0,0,0,0|1,0,1]=4 423 B7R0.3 CSCCN(C)CF 890b5ffb8cf7a6973b2ee7dfd458ffb1 [0,2,0,0,0,0|1,0,0]=3 424 B7R0.3 CSCCN(C)CO 3bce2c59e540fe3e66c7fb7a4d29cc3f [0,2,0,0,0,0|1,0,0]=3 425 B7R0.3 CSCNC(C)C#N 909ed7ecab76fb168afeb2c1846e5c40 [0,2,0,0,0,0|0,0,2]=4 426 B7R0.3 CSCNC(C)CO 6d4e5438054fc7d727ab269c682f1f18 [0,2,0,0,0,0|1,0,0]=3 427 B7R0.3 CSCN[C@@H](C)CO 902809602258c785ac8e71bdd59c992c [0,2,0,0,0,0|1,0,0]=3 428 B7R0.3 CSCN[C@H](C)CO a6e9f797fabfba51a16375762c3c5872 [0,2,0,0,0,0|1,0,0]=3 429 B7R0.3 CSCOC(C)C=O f3e4026b3b027885c21fad548f08eb1c [0,2,0,0,0,0|1,0,1]=4 430 B7R0.3 CSCOC(C)CF 65e26bd5fd3fba937ab56c5fd2b72624 [0,2,0,0,0,0|1,0,0]=3 431 B7R0.3 CSCOC(C)CS e72ba884b9015d7996527663a2b23dcf [0,2,0,0,0,0|1,0,0]=3 432 B7R0.3 CSCO[C@H](C)CS f2b1cd8743208a95078103d175668411 [0,2,0,0,0,0|1,0,0]=3 433 B7R0.3 C[C@H](CO)CNCF f5548f2764a66a9258eff90a77f81616 [0,2,0,0,0,0|2,0,0]=4 434 B7R0.3 C[C@H](CO)CNCO e7c0a7e8a9580f5a7445a0921a5a0780 [0,2,0,0,0,0|2,0,0]=4 435 B7R0.3 FCNCC(Br)CBr 1ef63de9bcba29a9921cdc72d2881d43 [0,2,0,0,0,0|2,0,0]=4 436 B7R0.3 FCOCC(Br)CBr 7f15e80ef386e790b46d1e9fe9404558 [0,2,0,0,0,0|1,1,0]=4 437 B7R0.3 FCOCC(Cl)CCl 1e9e33554394af661816cb29dc417019 [0,2,0,0,0,0|1,1,0]=4 438 B7R0.3 FCOCC(S)CS 34815cee2df2ec40989f80ad6dd621e0 [0,2,0,0,0,0|1,1,0]=4 439 B7R0.3 OCC(F)CNCF 607206b62b5f23920999166b86623bd5 [0,2,0,0,0,0|2,0,0]=4 440 B7R0.3 OCC(O)CNCF 54971f62d7287b56e74fe02f927edb77 [0,2,0,0,0,0|2,0,0]=4 441 B7R0.3 OCNCC(Br)CBr 7725489d16006f372c378046176c1017 [0,2,0,0,0,0|2,0,0]=4 442 B7R0.3 OCNCC(F)CO d003daa9df0bedf54497bab67e067e4d [0,2,0,0,0,0|2,0,0]=4 443 B7R0.3 OCNCC(O)CO ad4847d74dfd25e9300f25de22da97d8 [0,2,0,0,0,0|2,0,0]=4 444 B7R0.3 OCNC[C@@H](F)CO a28128c9f2e18b65078fba4a8d404dfa [0,2,0,0,0,0|2,0,0]=4 445 B7R0.3 OCNC[C@@H](O)CO 6469a515a17b686ce644b12380429cda [0,2,0,0,0,0|2,0,0]=4 446 B7R0.3 OCNC[C@H](F)CO 1d5b8cea390941ee3134c3e285008ef4 [0,2,0,0,0,0|2,0,0]=4 447 B7R0.3 OCNC[C@H](O)CO 89675afb1a2671c32b6a45a2d43885a6 [0,2,0,0,0,0|2,0,0]=4 448 B7R0.3 OC[C@@H](F)CNCF 3aebdfd263b5ec6aa79bef613f450fad [0,2,0,0,0,0|2,0,0]=4 449 B7R0.3 OC[C@@H](O)CNCF 1a0547f242500a499661bc379e80c14b [0,2,0,0,0,0|2,0,0]=4 450 B7R0.3 OC[C@H](F)CNCF a1aedce676f9a92f11db3a848c02f5ec [0,2,0,0,0,0|2,0,0]=4 451 B7R0.3 OC[C@H](O)CNCF 46f2aba6770b910f7cb8b43985603267 [0,2,0,0,0,0|2,0,0]=4 452 B7R0.5 CSCN(C)C(C)C 6bade958cb762672bfe3ad82fb307ca1 [0,2,0,0,0,0|2,0,0]=4 453 B7R0.7 C#CCN(C)CSC cf6cea4b6865efb6652c07d118f3814d [0,2,0,0,0,0|1,0,1]=4 454 B7R0.7 C=CCN(C)CSC f1be06c214da72bca84cecc462a1a3ad [0,2,0,0,0,0|1,0,1]=4 455 B7R0.7 CC(CCO)NCF e6f0c96e8564a4ffab447e5924afc7ff [0,2,0,0,0,0|2,0,0]=4 456 B7R0.7 CC(CCO)NCO dcf0cce30bbba94ae1bdb2661837885d [0,2,0,0,0,0|2,0,0]=4 457 B7R0.7 CCCC(C)NCC 30687af6c4de8dad0ff98831d5157fbe [0,2,0,0,0,0|2,0,0]=4 458 B7R0.7 CCCC(C)NCF 6fe7178c87e8240823259ce8a94eea0d [0,2,0,0,0,0|2,0,0]=4 459 B7R0.7 CCCC(C)NCO a80a7e4a0f1d75fc2436d616e073099f [0,2,0,0,0,0|2,0,0]=4 460 B7R0.7 CCCC(C)OCC f8a13dff786165aad9d4cfd77470c868 [0,2,0,0,0,0|1,1,0]=4 461 B7R0.7 CCCC(C)OCF e53aa9a0be571d844376e05ef43b0243 [0,2,0,0,0,0|1,1,0]=4 462 B7R0.7 CCCN(C)CCC e4ba1afb5991f60dfc5178c264d147ac [0,2,0,0,0,0|2,0,0]=4 463 B7R0.7 CCCN(C)CCF 20bdd855ba3f41de089f8838592d613e [0,2,0,0,0,0|2,0,0]=4 464 B7R0.7 CCCN(C)CCO 78d0d1ebbc45bccd6d086b71283c0541 [0,2,0,0,0,0|2,0,0]=4 465 B7R0.7 CCCN(C)CCS b66b0b7cd1a916850f3ad9b440f8c270 [0,2,0,0,0,0|2,0,0]=4 466 B7R0.7 CCCN(C)COC 1bec3c8fb3df3a096c65e4d1b6c5e3f1 [0,2,0,0,0,0|1,1,0]=4 467 B7R0.7 CCCN(C)CSC 08af67ba2c61bafd912a4ccbd1478a94 [0,2,0,0,0,0|1,0,0]=3 468 B7R0.7 CCC[C@@H](C)OCC ad566fabe40b68a5eff8830d607c6d5f [0,2,0,0,0,0|1,1,0]=4 469 B7R0.7 CCC[C@@H](C)OCF 7663802c803efdb5ffdb71e415c741b7 [0,2,0,0,0,0|1,1,0]=4 470 B7R0.7 CCC[C@H](C)NCC 753d5a7572fe2b9f2fd164a2491a308c [0,2,0,0,0,0|2,0,0]=4 471 B7R0.7 CCC[C@H](C)NCF bb5a2f2a6bcb2a0616cca7690ac17090 [0,2,0,0,0,0|2,0,0]=4 472 B7R0.7 CCC[C@H](C)NCO b51a8cc4d30d5ddff8232517fc6ea6d0 [0,2,0,0,0,0|2,0,0]=4 473 B7R0.7 CCC[C@H](C)OCC 1fee3bcf808f20e21cce64abf5182523 [0,2,0,0,0,0|1,1,0]=4 474 B7R0.7 CCC[C@H](C)OCF aaf4041a99f006e154459098e0beb231 [0,2,0,0,0,0|1,1,0]=4 475 B7R0.7 CCNC(C)CCO 6d74a4cbe1e8603263eb7a06e9e0b8fd [0,2,0,0,0,0|2,0,0]=4 476 B7R0.7 CCNC(C)COC af3d09b9c16b18b44031a6b489b2fd56 [0,2,0,0,0,0|1,1,0]=4 477 B7R0.7 CCN[C@@H](C)CCO 120d76e4d5f3a5851fb1fd775a67dcd3 [0,2,0,0,0,0|2,0,0]=4 478 B7R0.7 CCN[C@@H](C)COC 3587673ce83b198299c531f233570bde [0,2,0,0,0,0|1,1,0]=4 479 B7R0.7 CCN[C@H](C)CCO d88e997127477e2d2a92514b9d55e900 [0,2,0,0,0,0|2,0,0]=4 480 B7R0.7 CCN[C@H](C)COC 769259f23e0c7be858a9664721e9e588 [0,2,0,0,0,0|1,1,0]=4 481 B7R0.7 CCOC(C)COC fe243350564a7dc6ae1ae7113d5524f6 [0,2,0,0,0,0|1,1,0]=4 482 B7R0.7 CCOC(C)CSC e325c79726bf48130f9e676fa3908dca [0,2,0,0,0,0|1,0,0]=3 483 B7R0.7 CCO[C@@H](C)COC f439908527642fb0fb69029fa9f8bc89 [0,2,0,0,0,0|1,1,0]=4 484 B7R0.7 CCO[C@H](C)COC 9a86a7ea1ccd0f751a8074ffc2bb4277 [0,2,0,0,0,0|1,1,0]=4 485 B7R0.7 COCC(C)NCF 37ce3660c3b090e9f9edd5124bcdcd9a [0,2,0,0,0,0|1,1,0]=4 486 B7R0.7 COCC(C)NCO 6c5d5187b65d28bd76ca5cd109efad49 [0,2,0,0,0,0|1,1,0]=4 487 B7R0.7 COCC(C)OCF ba759e057fe1b6bc36072f0ed66c672a [0,2,0,0,0,0|1,1,0]=4 488 B7R0.7 COCN(C)CCF 462c4168e49a87fc94c059780d3b18c2 [0,2,0,0,0,0|1,1,0]=4 489 B7R0.7 COCN(C)CCO 5aba17f9d68b8c1f364bdcdaa93aa01e [0,2,0,0,0,0|1,1,0]=4 490 B7R0.7 COC[C@@H](C)NCF a6548424f9201b13ac58df133eb2a24a [0,2,0,0,0,0|1,1,0]=4 491 B7R0.7 COC[C@@H](C)NCO 5b123b6ebd0e85051da558c3ea88e6ed [0,2,0,0,0,0|1,1,0]=4 492 B7R0.7 COC[C@@H](C)OCF 8f42f68524f58334b9b291fd96846ba2 [0,2,0,0,0,0|1,1,0]=4 493 B7R0.7 COC[C@H](C)NCF 7304476e002e28def6ba549158f64fb0 [0,2,0,0,0,0|1,1,0]=4 494 B7R0.7 COC[C@H](C)NCO d58653f64afc5f3d3534e35a74eeeaa8 [0,2,0,0,0,0|1,1,0]=4 495 B7R0.7 COC[C@H](C)OCF a6a8493c8eb55af12b084ba1e2d842c6 [0,2,0,0,0,0|1,1,0]=4 496 B7R0.7 CSCC(C)OCF 689a149956402544a2d3e6be9443efc2 [0,2,0,0,0,0|1,0,0]=3 497 B7R0.7 CSCN(C)CC#N 63f0ea4e5ce933e4951dd83f4f114974 [0,2,0,0,0,0|0,0,2]=4 498 B7R0.7 CSCN(C)CCF 9d16e27a475cba1630b67c24ce2c9bd7 [0,2,0,0,0,0|1,0,0]=3 499 B7R0.7 CSCN(C)CCO 7ed81f2aa884158a210c057b422414ea [0,2,0,0,0,0|1,0,0]=3 500 B7R0.7 C[C@@H](CCO)NCF 35f1d2cdbf2c5b52cb9e37f48197b555 [0,2,0,0,0,0|2,0,0]=4 501 B7R0.7 C[C@@H](CCO)NCO d1bf1253e6c406f96778567e6d5de8e7 [0,2,0,0,0,0|2,0,0]=4 502 B7R0.7 C[C@H](CCO)NCF dcb503816f0fded4b6581421c9c4b10d [0,2,0,0,0,0|2,0,0]=4 503 B7R0.7 C[C@H](CCO)NCO ccd004333d3de23c28e090d6ff4977aa [0,2,0,0,0,0|2,0,0]=4 504 B7R0.4 C=C(Br)CNCSC 8a13c2330490e029e1472b0879913501 [0,2,0,0,0,0|1,0,1]=4 505 B7R0.4 C=C(Br)COCSC 1fb9c4d52ec09b3be6dd4d44e06087d7 [0,2,0,0,0,0|1,0,1]=4 506 B7R0.4 C=C(C)CCNCC 496668f773ae381b7253fe5c2e31b849 [0,2,0,0,0,0|2,0,0]=4 507 B7R0.4 C=C(C)CCNCF d9277e4b518036e504534a47b4d2c8d3 [0,2,0,0,0,0|2,0,0]=4 508 B7R0.4 C=C(C)CCNCO 1d4b0607e3d83a5f4006eff6bc7727ff [0,2,0,0,0,0|2,0,0]=4 509 B7R0.4 C=C(C)CCOCC be6e22e1c69b2a68ed5204ad177f8dbf [0,2,0,0,0,0|2,0,0]=4 510 B7R0.4 C=C(C)CCOCF 57a19209df87575c4f19afbce5b99e6c [0,2,0,0,0,0|2,0,0]=4 511 B7R0.4 C=C(C)CNCCBr 2a71f14abd6d980bb31a1c9bc14c70f0 [0,2,0,0,0,0|2,0,0]=4 512 B7R0.4 C=C(C)CNCCC 9338ac3992e47efae82e0b1fb1732dd0 [0,2,0,0,0,0|2,0,0]=4 513 B7R0.4 C=C(C)CNCCF 147c63cc249cacaac64968cb85a45eaf [0,2,0,0,0,0|2,0,0]=4 514 B7R0.4 C=C(C)CNCCI 5db841d6ee2087586757d7c691268e13 [0,2,0,0,0,0|2,0,0]=4 515 B7R0.4 C=C(C)CNCCO 7142f744ef151de1633254d1c7f42004 [0,2,0,0,0,0|2,0,0]=4 516 B7R0.4 C=C(C)CNCCS b56ce23cba380640f2babb6ed5fa0d2e [0,2,0,0,0,0|2,0,0]=4 517 B7R0.4 C=C(C)CNCSC 16720dfae312e14188787cb1eaf510d4 [0,2,0,0,0,0|1,0,1]=4 518 B7R0.4 C=C(C)COCCC 76f9760152185d12d96d255aaf2df59a [0,2,0,0,0,0|2,0,0]=4 519 B7R0.4 C=C(C)COCCF 2393b781abe28f80c22ecc5054861ab3 [0,2,0,0,0,0|2,0,0]=4 520 B7R0.4 C=C(C)COCCS 49de4109ab241775eb4f5124e18dde45 [0,2,0,0,0,0|2,0,0]=4 521 B7R0.4 C=C(C)COCSC 57a3672b412662e92be8fefea10a5b74 [0,2,0,0,0,0|1,0,1]=4 522 B7R0.4 C=C(Cl)COCSC f2ac685eefd0e0729fecd3be397ecd57 [0,2,0,0,0,0|1,0,1]=4 523 B7R0.4 C=C(F)COCSC 6bbf4e89090e6cc7310e72037a53b255 [0,2,0,0,0,0|1,0,1]=4 524 B7R0.4 C=C(I)COCSC 906afa6cb0cbbbf887a55678cd7cf860 [0,2,0,0,0,0|1,0,1]=4 525 B7R0.4 CC(=O)CCOCF 82d7d90cce95d3fcb1e3ec26261601b7 [0,2,0,0,0,0|2,0,0]=4 526 B7R0.4 CC(=O)CNCCF 037d57d4c47ace4be0a5087eec27dc1a [0,2,0,0,0,0|2,0,0]=4 527 B7R0.4 CC(=O)CNCCO 86398d1823d67bf69cb8819c5f41ae7a [0,2,0,0,0,0|2,0,0]=4 528 B7R0.4 CC(=O)CNCCS 7ce62300907f9ccd0384e405866d6aaa [0,2,0,0,0,0|2,0,0]=4 529 B7R0.4 CC(=O)COCCF 44a64beb94b3f52bac0afdbbbb0c27fe [0,2,0,0,0,0|2,0,0]=4 530 B7R0.4 CC(=O)COCCS aaf6880c5768e2a52385922f009f4e73 [0,2,0,0,0,0|2,0,0]=4 531 B7R0.4 CC(=O)NCCCCl a50262f9e3620db3f540afde4066de77 [0,2,0,0,0,0|2,0,0]=4 532 B7R0.4 CC(=O)NCCCO cd01194a1a55a891decb932ba2d96e97 [0,2,0,0,0,0|2,0,0]=4 533 B7R0.4 CC(=O)NCCON b144d6b267eb86a17759cca31656c8af [0,2,0,0,0,0|2,0,0]=4 534 B7R0.4 CC(C)CCNCF 7f725eaafe57b21e0294a49a9a15ea60 [0,2,0,0,0,0|2,0,0]=4 535 B7R0.4 CC(C)CCNCO 55d154c6198aa4781c1600237013f9c3 [0,2,0,0,0,0|2,0,0]=4 536 B7R0.4 CC(C)CCOCF 5c4beb2cb4fc50a6f233dfe91cf9c945 [0,2,0,0,0,0|1,1,0]=4 537 B7R0.4 CC(C)CNCCBr 92559cb2ebacf0b0f5c92d38f861f670 [0,2,0,0,0,0|2,0,0]=4 538 B7R0.4 CC(C)CNCCF 14de296bc1a413c56debcce38ccc407f [0,2,0,0,0,0|2,0,0]=4 539 B7R0.4 CC(C)CNCCI 0dda19f31a767f7ffd847981f58c8b5f [0,2,0,0,0,0|2,0,0]=4 540 B7R0.4 CC(C)CNCCO bc40b3ae5c3a6adde3dd753071b81161 [0,2,0,0,0,0|2,0,0]=4 541 B7R0.4 CC(C)CNCCS 0f3531c02e7e4d73732ad308afcb17e1 [0,2,0,0,0,0|2,0,0]=4 542 B7R0.4 CC(C)COCCF 83bb949d8c551562556937d0600d6efb [0,2,0,0,0,0|2,0,0]=4 543 B7R0.4 CC(C)COCCS 84ea4ff8f634d7739886cdbaa6625a00 [0,2,0,0,0,0|2,0,0]=4 544 B7R0.4 CC(C)NCCCCl 1f7b6a1eb64f799a69aafcb62f78849f [0,2,0,0,0,0|2,0,0]=4 545 B7R0.4 CC(C)NCCCO 8da9f776dfc6acc6ee817ae96d2c50e4 [0,2,0,0,0,0|2,0,0]=4 546 B7R0.4 CC(C)NCCON 0430106bca7b178ac757feef5057edc3 [0,2,0,0,0,0|2,0,0]=4 547 B7R0.4 CC(C)OCCCF 4d070417a783226fcc67bd342ecf7613 [0,2,0,0,0,0|1,1,0]=4 548 B7R0.4 CC(C)OCCCS 3817134d1cec338c192448359f8580cb [0,2,0,0,0,0|1,1,0]=4 549 B7R0.4 CC(F)COCCF 116a6a3052c8de49db4f34ae9008ac78 [0,2,0,0,0,0|2,0,0]=4 550 B7R0.4 CC(F)COCCS 8d2984085a69d91abfeadd49afaeec93 [0,2,0,0,0,0|2,0,0]=4 551 B7R0.4 CC(O)CCNCF 89c40e30e417fcb37a374a94c2ef248d [0,2,0,0,0,0|2,0,0]=4 552 B7R0.4 CC(O)CCNCO 9f501543a06bdc8213f2c63cd9b34692 [0,2,0,0,0,0|2,0,0]=4 553 B7R0.4 CC(O)CNCCBr 154eb4d8643396dfb29e9b52415c8302 [0,2,0,0,0,0|2,0,0]=4 554 B7R0.4 CC(O)CNCCF 8d5077fa916d6fe4d2601be7b7e92fe0 [0,2,0,0,0,0|2,0,0]=4 555 B7R0.4 CC(O)CNCCI 066a03933ac8e01fd84516db90bd80b4 [0,2,0,0,0,0|2,0,0]=4 556 B7R0.4 CC(O)CNCCO 8f4ae016359cb69f6b81e6aefbfc1a34 [0,2,0,0,0,0|2,0,0]=4 557 B7R0.4 CC(O)CNCCS 460faff2bd822e3fb542bd4f386088ee [0,2,0,0,0,0|2,0,0]=4 558 B7R0.4 CC(S)COCCF c5074ee60aeb4c30ed588360445a5de7 [0,2,0,0,0,0|2,0,0]=4 559 B7R0.4 CC(S)COCCS 0983b2499bf7b6b754e79e2d709efcf5 [0,2,0,0,0,0|2,0,0]=4 560 B7R0.4 CCCCNC(=O)C 0949c76abd7904d01e0aead7cd919e16 [0,2,0,0,0,0|2,0,0]=4 561 B7R0.4 CCCCNC(C)C 9cc424b21c3c2f75d1871abbaf0e1d28 [0,2,0,0,0,0|2,0,0]=4 562 B7R0.4 CCCCOC(C)C eb1bac952091f26d8e354583c355080c [0,2,0,0,0,0|1,1,0]=4 563 B7R0.4 CCCNCC(=O)C 99413200ab301de7320a2958deb213a6 [0,2,0,0,0,0|2,0,0]=4 564 B7R0.4 CCCNCC(=O)N c6bdb30f5ce304ac84a3a29975920160 [0,2,0,0,0,0|1,0,1]=4 565 B7R0.4 CCCNCC(C)C 639a6b9872838fc9d4295ca1293ac6f5 [0,2,0,0,0,0|2,0,0]=4 566 B7R0.4 CCCNCC(C)O daf3f68aedcfe9daf2326198322724f7 [0,2,0,0,0,0|2,0,0]=4 567 B7R0.4 CCCNCC(F)F 9022d4eca4bc1cbf6bdda2f9bb9ad264 [0,2,0,0,0,0|2,0,0]=4 568 B7R0.4 CCCNCN(C)C 6cfa8606f274157e5146a9a1a1e43db8 [0,2,0,0,0,0|2,0,0]=4 569 B7R0.4 CCCNC[C@@H](C)O 69c59cd948a0a2ada3b8c8ccb896baca [0,2,0,0,0,0|2,0,0]=4 570 B7R0.4 CCCNC[C@H](C)O 72915868db71c51258a7b619113cc692 [0,2,0,0,0,0|2,0,0]=4 571 B7R0.4 CCCOCC(=O)C 96075066d7d27bc87eaacf968c44bcad [0,2,0,0,0,0|2,0,0]=4 572 B7R0.4 CCCOCC(=O)N 96a8c77dd39980465075569d7697e39d [0,2,0,0,0,0|1,0,1]=4 573 B7R0.4 CCCOCC(=S)N de4cf6b87e1a0924ce6659273b2f578f [0,2,0,0,0,0|1,0,1]=4 574 B7R0.4 CCCOCC(C)C 519497356751b621892cf233de56054b [0,2,0,0,0,0|2,0,0]=4 575 B7R0.4 CCCOCC(C)F dd29a194f54e9c80d8edf1f9d80b8d74 [0,2,0,0,0,0|2,0,0]=4 576 B7R0.4 CCCOCC(C)S be744eae5a3365df2c9fc241f88d0c34 [0,2,0,0,0,0|2,0,0]=4 577 B7R0.4 CCCOCC(F)F 74563999b35ef7496664c1330d891527 [0,2,0,0,0,0|2,0,0]=4 578 B7R0.4 CCCOCN(C)C 36ffd2679676671661da29a84172c95d [0,2,0,0,0,0|2,0,0]=4 579 B7R0.4 CCCOC[C@@H](C)F 3e309754c30a5b79d5dc25a5081557ca [0,2,0,0,0,0|2,0,0]=4 580 B7R0.4 CCCOC[C@H](C)F 383eac738512a675ea10661fb503a531 [0,2,0,0,0,0|2,0,0]=4 581 B7R0.4 CCNCCC(=O)N 41bbba81e733b9d1286775aca2565c1c [0,2,0,0,0,0|1,0,1]=4 582 B7R0.4 CCNCCC(=S)N 76a84de3aae7ce57b9732b2228d88da8 [0,2,0,0,0,0|1,0,1]=4 583 B7R0.4 CCNCCC(C)C 2bf33aa7c5d7ca27e591c3649dacf1c3 [0,2,0,0,0,0|2,0,0]=4 584 B7R0.4 CCNCCC(C)O 5c499b0d9d47b4ec3e33a3826caf6cf9 [0,2,0,0,0,0|2,0,0]=4 585 B7R0.4 CCNCCC(F)F 1930d2e5ffecbff29d9e715320f3d9d1 [0,2,0,0,0,0|2,0,0]=4 586 B7R0.4 CCNCCN(C)C 623f50aa4be9ebc8f28d6a0c3c6ed1a7 [0,2,0,0,0,0|2,0,0]=4 587 B7R0.4 CCNCCS(=O)C 6adfbd2d8fb4ec32091a9ce07fb581f6 [0,2,0,0,0,0|1,0,1]=4 588 B7R0.4 CCNCC[C@@H](C)O 813fcf5ff2ae94275024925d2e59da87 [0,2,0,0,0,0|2,0,0]=4 589 B7R0.4 CCNCC[C@H](C)O ad44c8835227c03e0dd7a910fcfe11b6 [0,2,0,0,0,0|2,0,0]=4 590 B7R0.4 CCOCCC(=O)C cbf951a39aabdc9cae79b2b81520e5d8 [0,2,0,0,0,0|2,0,0]=4 591 B7R0.4 CCOCCC(=O)N 6008011299c8bcf06da6d1d485db82cf [0,2,0,0,0,0|0,1,1]=4 592 B7R0.4 CCOCCC(C)C a81ef4c75f60509d0095bacdc570a8e6 [0,2,0,0,0,0|1,1,0]=4 593 B7R0.4 CCOCCC(F)F 465ac5bfc94ba71d3501c35192443249 [0,2,0,0,0,0|1,1,0]=4 594 B7R0.4 CCOCCN(C)C ea980176db95d583c8d1c23fca0674af [0,2,0,0,0,0|2,0,0]=4 595 B7R0.4 CCOCCS(=O)C 8e6e406da58bf76b276c249a0b39af9d [0,2,0,0,0,0|1,0,1]=4 596 B7R0.4 CN(C)CCNCF 8abb5f18b6c751325863f35aed3a39ad [0,2,0,0,0,0|2,0,0]=4 597 B7R0.4 CN(C)CCNCO bd0d691a6fbaf02bba808128b7b4eb38 [0,2,0,0,0,0|2,0,0]=4 598 B7R0.4 CN(C)CCOCF 8b70b7812206c4d5ded6c185d6862be3 [0,2,0,0,0,0|2,0,0]=4 599 B7R0.4 CN(C)CNCCBr bd43fb5c0b7d8350d95a0dd2df69b9c3 [0,2,0,0,0,0|2,0,0]=4 600 B7R0.4 CN(C)CNCCF f5668af030ba7c2b059920244d608c58 [0,2,0,0,0,0|2,0,0]=4 601 B7R0.4 CN(C)CNCCI a5f2dc9c9c831c2cee3580ea090d436e [0,2,0,0,0,0|2,0,0]=4 602 B7R0.4 CN(C)CNCCO da608adf367147e04fa4316e70ab8593 [0,2,0,0,0,0|2,0,0]=4 603 B7R0.4 CN(C)CNCCS b45f88ad22a418d68a24233da6b56ca9 [0,2,0,0,0,0|2,0,0]=4 604 B7R0.4 CN(C)COCCF 62f55da4c28b5a6853579355e2be444c [0,2,0,0,0,0|2,0,0]=4 605 B7R0.4 CN(C)COCCS a425fbb521a3fbcb18e120f8fcba5ba5 [0,2,0,0,0,0|2,0,0]=4 606 B7R0.4 COCCNC(C)C 0e10ac0a5c18c9b5426d9b26a3199f23 [0,2,0,0,0,0|1,1,0]=4 607 B7R0.4 COCCOC(C)C 66ff9033a5dadbe3413ec342d9a7c9fe [0,2,0,0,0,0|1,1,0]=4 608 B7R0.4 COCNCC(=O)N 5eb60c0a5f3dc108975679a2e84d9e64 [0,2,0,0,0,0|0,1,1]=4 609 B7R0.4 COCNCC(C)C 8a41f842449ec7e26a630827b8975a34 [0,2,0,0,0,0|1,1,0]=4 610 B7R0.4 COCNCC(C)O 7cd2bebbda561fed9f8727c3c28ad38e [0,2,0,0,0,0|1,1,0]=4 611 B7R0.4 COCNCC(F)F 7ac3b930a04e1976065f1508912ca121 [0,2,0,0,0,0|1,1,0]=4 612 B7R0.4 COCNC[C@@H](C)O 1cb4b03583e52c6b50718208a2374249 [0,2,0,0,0,0|1,1,0]=4 613 B7R0.4 COCNC[C@H](C)O f3446f550f05f70b23e0d39223deb3a4 [0,2,0,0,0,0|1,1,0]=4 614 B7R0.4 COCOCC(=O)N a86a9c95c6a98739f4d98d0cd39ad842 [0,2,0,0,0,0|0,1,1]=4 615 B7R0.4 COCOCC(=S)N ee294cd5168f479d523c3c4651082b74 [0,2,0,0,0,0|0,1,1]=4 616 B7R0.4 COCOCC(C)C 61a68151721001e97ead89f074e554c8 [0,2,0,0,0,0|1,1,0]=4 617 B7R0.4 COCOCC(C)F 8914da36a6668652f42dd48a2de189ef [0,2,0,0,0,0|1,1,0]=4 618 B7R0.4 COCOCC(C)S e066c7f9b17ffc4be78eeceab96a73b5 [0,2,0,0,0,0|1,1,0]=4 619 B7R0.4 COCOCC(F)F f3ba6ff0889af417f90d77fc2d38e726 [0,2,0,0,0,0|1,1,0]=4 620 B7R0.4 COCOCN(C)C 2b73113c43069b14e14fe8858206fc7d [0,2,0,0,0,0|1,1,0]=4 621 B7R0.4 COCOC[C@@H](C)F 6545045391d8f6ced82f2bf093ba89e0 [0,2,0,0,0,0|1,1,0]=4 622 B7R0.4 COCOC[C@H](C)F 79bbf51d9f1999e8364c46bd7028ac05 [0,2,0,0,0,0|1,1,0]=4 623 B7R0.4 CS(=O)CCNCF d9c1484515d26db91a75e89c525299ec [0,2,0,0,0,0|1,0,1]=4 624 B7R0.4 CS(=O)CCNCO fdcf9e99993e02a092ff2e9d4ac90523 [0,2,0,0,0,0|1,0,1]=4 625 B7R0.4 CS(=O)CCOCF 834c76934e51318a147a2d0ae2e7b4a6 [0,2,0,0,0,0|1,0,1]=4 626 B7R0.4 CSCCNC(=O)C d94327ff4326745067a7a93e58177af9 [0,2,0,0,0,0|1,0,1]=4 627 B7R0.4 CSCCNC(C)C 145dbc599c93a8d182d58abe78ded108 [0,2,0,0,0,0|1,0,0]=3 628 B7R0.4 CSCCOC(C)C 898b6e38b775cb6892ffe8b724ad6a1f [0,2,0,0,0,0|1,0,0]=3 629 B7R0.4 CSCNCC(=O)C 45bb082b9a0036036408483af8cc43e5 [0,2,0,0,0,0|1,0,1]=4 630 B7R0.4 CSCNCC(=O)N 25bde4292d4cdcaec203d3d8eb65b798 [0,2,0,0,0,0|0,0,1]=3 631 B7R0.4 CSCNCC(=O)O 5c5440b473179a79f0a0bde7f261b934 [0,2,0,0,0,0|1,0,1]=4 632 B7R0.4 CSCNCC(C)C af947b38f43b5b920a6aa47378596e00 [0,2,0,0,0,0|1,0,0]=3 633 B7R0.4 CSCNCC(C)O 50c1b0ff20ccca0fd478dfcc8b4f1dd9 [0,2,0,0,0,0|1,0,0]=3 634 B7R0.4 CSCNCC(F)F 7cb9fe23842b0dbd8a2ee023dae4c181 [0,2,0,0,0,0|1,0,0]=3 635 B7R0.4 CSCNC[C@@H](C)O 8109ab425e83ef9eeeaf7082857cd6a2 [0,2,0,0,0,0|1,0,0]=3 636 B7R0.4 CSCNC[C@H](C)O d2099554b3b9b6b9132d0066d20c97d5 [0,2,0,0,0,0|1,0,0]=3 637 B7R0.4 CSCOCC(=O)C a99e30955cce4bbe9c0c1e4d13a22534 [0,2,0,0,0,0|1,0,1]=4 638 B7R0.4 CSCOCC(=O)N 26834a3c15e8ab4b1f28f8e0ba47eea5 [0,2,0,0,0,0|0,0,1]=3 639 B7R0.4 CSCOCC(=O)O bc53fc5d2082b4879e00ca1b9daacd0d [0,2,0,0,0,0|1,0,1]=4 640 B7R0.4 CSCOCC(=S)N 96e836b78f31f1ad4b44d4ed57e66856 [0,2,0,0,0,0|0,0,1]=3 641 B7R0.4 CSCOCC(C)C 2e75b1421641e4cf6bcc7f6e6907b733 [0,2,0,0,0,0|1,0,0]=3 642 B7R0.4 CSCOCC(C)F 53f1875474e3b9bdff910b92b60ba853 [0,2,0,0,0,0|1,0,0]=3 643 B7R0.4 CSCOCC(C)S f9be698c7d26541eb43c0e631766ae27 [0,2,0,0,0,0|1,0,0]=3 644 B7R0.4 CSCOCC(F)F f5224cd0f16a5565a48a0766b0edd0b9 [0,2,0,0,0,0|1,0,0]=3 645 B7R0.4 CSCOCS(=O)O 10c14278cf265246d24f329a9e0b0189 [0,2,0,0,0,0|2,0,0]=4 646 B7R0.4 CSCOC[C@@H](C)F 0136a6bbb00194305a65bf070cb3d15d [0,2,0,0,0,0|1,0,0]=3 647 B7R0.4 CSCOC[C@H](C)F 7813ba3f17ca085b20bd9c5ced200835 [0,2,0,0,0,0|1,0,0]=3 648 B7R0.4 C[C@@H](F)COCCF 3110bb67cbd1b2e85d385d6e3d35756e [0,2,0,0,0,0|2,0,0]=4 649 B7R0.4 C[C@@H](F)COCCS bfd1f029789b1190dba2ea5476759c7f [0,2,0,0,0,0|2,0,0]=4 650 B7R0.4 C[C@@H](O)CCNCF a171060e7cef636674fdc1d5de7e9c7f [0,2,0,0,0,0|2,0,0]=4 651 B7R0.4 C[C@@H](O)CCNCO 9ba5901b9598bb8b83a8e89d75299d06 [0,2,0,0,0,0|2,0,0]=4 652 B7R0.4 C[C@@H](O)CNCCBr 476a86534856a9aae2ef8f7279b31cfb [0,2,0,0,0,0|2,0,0]=4 653 B7R0.4 C[C@@H](O)CNCCF 87507f8dca39fc70cc21fdf67bae8912 [0,2,0,0,0,0|2,0,0]=4 654 B7R0.4 C[C@@H](O)CNCCI 9587776e701d797d457867258d4fc89b [0,2,0,0,0,0|2,0,0]=4 655 B7R0.4 C[C@@H](O)CNCCO baa562baabf5c8a48c20282a5a246002 [0,2,0,0,0,0|2,0,0]=4 656 B7R0.4 C[C@@H](O)CNCCS 36bf6989b461aa9b67b95a0edd91af08 [0,2,0,0,0,0|2,0,0]=4 657 B7R0.4 C[C@H](F)COCCF e0cc26a0b5d222012ac2289b3b46d0f6 [0,2,0,0,0,0|2,0,0]=4 658 B7R0.4 C[C@H](F)COCCS 2e8d8a893b1bd1c8bd8b5bd8050b0a6b [0,2,0,0,0,0|2,0,0]=4 659 B7R0.4 C[C@H](O)CCNCF cf7b969aa5132fd62a51c70fbb4e55b6 [0,2,0,0,0,0|2,0,0]=4 660 B7R0.4 C[C@H](O)CCNCO 0826a81a1bc46286726529223d9bf47c [0,2,0,0,0,0|2,0,0]=4 661 B7R0.4 C[C@H](O)CNCCBr d8130b56183e44282fb663631b483d0a [0,2,0,0,0,0|2,0,0]=4 662 B7R0.4 C[C@H](O)CNCCF 8a00c7ca22c55b9ee2846de53781405a [0,2,0,0,0,0|2,0,0]=4 663 B7R0.4 C[C@H](O)CNCCI 94327fd285e5b15f8455d211a6b18583 [0,2,0,0,0,0|2,0,0]=4 664 B7R0.4 C[C@H](O)CNCCO da7e3a0fa5cde405013af45ae4f5815a [0,2,0,0,0,0|2,0,0]=4 665 B7R0.4 C[C@H](O)CNCCS a9946cdb75b18365d5d002024cd9bdf6 [0,2,0,0,0,0|2,0,0]=4 666 B7R0.4 FCNCCC(F)F da4e608cbd0bcd5e7d5c66b862b8e914 [0,2,0,0,0,0|2,0,0]=4 667 B7R0.4 FCOCCC(F)F c570be3bce6e9c5b08afdf06de91b339 [0,2,0,0,0,0|1,1,0]=4 668 B7R0.4 NC(=O)CCNCF 20ec4b7c637071ae24e3cdf4bbdc4bb7 [0,2,0,0,0,0|1,0,1]=4 669 B7R0.4 NC(=O)CCNCO 8d6a6b05e8f134f68517fe004903b837 [0,2,0,0,0,0|1,0,1]=4 670 B7R0.4 NC(=O)CCOCF 7d212825caf98dd8861bf8614019cc84 [0,2,0,0,0,0|0,1,1]=4 671 B7R0.4 NC(=S)CCNCF 62012331f0f1d467ca5d05133af230db [0,2,0,0,0,0|1,0,1]=4 672 B7R0.4 NC(=S)CCNCO b1a1fcd18ad0532e4bcb643182feba55 [0,2,0,0,0,0|1,0,1]=4 673 B7R0.4 OCNCCC(F)F 6ab11325c4893be6b016d91b3c022661 [0,2,0,0,0,0|2,0,0]=4 674 B7R0.8 CSCNC(C)(C)C f8dc1bf783c8bcac4db13c58c9d3a808 [0,2,0,0,0,0|2,0,0]=4 675 B7R0.1 C#CCCCNC#N 26a8d7c25c3748b4f0d64b826a31a836 [0,2,0,0,0,0|1,0,1]=4 676 B7R0.1 C#CCCCNC=O 5eda6030f597033b63ed4419962aef56 [0,2,0,0,0,0|1,0,1]=4 677 B7R0.1 C#CCCCNCC 992d0e050b511d203d57e0da48d3e40a [0,2,0,0,0,0|1,0,1]=4 678 B7R0.1 C#CCCCNCF ee80cfe129267471128699a35e8db818 [0,2,0,0,0,0|1,0,1]=4 679 B7R0.1 C#CCCCNCO a9ed8c717b7ee1e1fd8d7809a5e484b3 [0,2,0,0,0,0|1,0,1]=4 680 B7R0.1 C#CCCCOCC 89b5785422e0fe7d3bd84144232498f7 [0,2,0,0,0,0|1,1,0]=4 681 B7R0.1 C#CCCCOCF e2ca57ff624290ec22bd51b4b60747ec [0,2,0,0,0,0|1,1,0]=4 682 B7R0.1 C#CCCNCCC 985891a1be5b6df9332ec92fc8ba9705 [0,2,0,0,0,0|2,0,0]=4 683 B7R0.1 C#CCCNCOC cf9396d670d650e4fa45a4ba8287b654 [0,2,0,0,0,0|1,1,0]=4 684 B7R0.1 C#CCCNCSC 24780502d7fb634d7ea44608e3cda9c1 [0,2,0,0,0,0|1,0,0]=3 685 B7R0.1 C#CCCOCCC eee2aa39c598bd16cdd3ed61f37ff696 [0,2,0,0,0,0|2,0,0]=4 686 B7R0.1 C#CCCOCOC 36c066d41d26482ed5ee75d0afe8617c [0,2,0,0,0,0|1,1,0]=4 687 B7R0.1 C#CCCOCSC 7be39892afd4ef79dc2d978280d82788 [0,2,0,0,0,0|1,0,0]=3 688 B7R0.1 C#CCNCCCC 2174997efa32a525ba69ce874ecd5c71 [0,2,0,0,0,0|2,0,0]=4 689 B7R0.1 C#CCNCCCCl 5c9c271bcb88c7f56d489e4a793e8621 [0,2,0,0,0,0|2,0,0]=4 690 B7R0.1 C#CCNCCCF 279bd861169915910381757eeb364012 [0,2,0,0,0,0|2,0,0]=4 691 B7R0.1 C#CCNCCCO 34019e78f76c1559b140c0ea5596ecd8 [0,2,0,0,0,0|2,0,0]=4 692 B7R0.1 C#CCNCCCS c1f69a0bf63fe9081ded0a29bd679e0b [0,2,0,0,0,0|2,0,0]=4 693 B7R0.1 C#CCNCCOC 997335a34ef003d48d244a0ddba27e07 [0,2,0,0,0,0|1,1,0]=4 694 B7R0.1 C#CCNCCON d1e911a0283c111df1143d241156a037 [0,2,0,0,0,0|1,0,1]=4 695 B7R0.1 C#CCNCCSC 7293bf2b9aa9b78de8f9c249a2d32afe [0,2,0,0,0,0|1,0,0]=3 696 B7R0.1 C#CCOCCCC ed4cfee8b145d86b8dc8812185cb69d7 [0,2,0,0,0,0|1,1,0]=4 697 B7R0.1 C#CCOCCCF 8e4a498daaa3abb486cffe02f0d9ca7f [0,2,0,0,0,0|1,1,0]=4 698 B7R0.1 C#CCOCCCS d2780b6c136095e09224f9173c87e1a2 [0,2,0,0,0,0|1,1,0]=4 699 B7R0.1 C#CCOCCOC ab714bdf8184b88d0365ec20253b9510 [0,2,0,0,0,0|1,1,0]=4 700 B7R0.1 C#CCOCCSC 435ea744643c84b597b66146e288d476 [0,2,0,0,0,0|1,0,0]=3 701 B7R0.1 C/C=C/CCOCC 769d81e9b6b56a0d91c30248e5909b9a [0,2,0,0,0,0|2,0,0]=4 702 B7R0.1 C/C=C/CCOCF dc2f933f6966ba9a8287bfc7fc6ccc58 [0,2,0,0,0,0|2,0,0]=4 703 B7R0.1 C/C=C/CNCCBr 0973e2b64729bb539cd2e104815f0a1e [0,2,0,0,0,0|2,0,0]=4 704 B7R0.1 C/C=C/CNCCC 83b506fda5a949df97a8ce6c6994cd79 [0,2,0,0,0,0|2,0,0]=4 705 B7R0.1 C/C=C/CNCCF f085a093091954347c84796f9e590679 [0,2,0,0,0,0|2,0,0]=4 706 B7R0.1 C/C=C/CNCCI 6e2f39f1ea26ddc6f2e5f5437b7b5147 [0,2,0,0,0,0|2,0,0]=4 707 B7R0.1 C/C=C/CNCCO 46233ffdd427019cbe6b11058a9a63af [0,2,0,0,0,0|2,0,0]=4 708 B7R0.1 C/C=C/CNCCS cbe1191a636e587cc6acf9b0c2835c4f [0,2,0,0,0,0|2,0,0]=4 709 B7R0.1 C/C=C/COCCC 822df1d3ee20841fb6f7a407dc8ef626 [0,2,0,0,0,0|2,0,0]=4 710 B7R0.1 C/C=C/COCCF 4b2fea3d3bd54b68f4375e4695e6fa90 [0,2,0,0,0,0|2,0,0]=4 711 B7R0.1 C/C=C/COCCS e5dfca0d8155eb1ed0c48c32f513b720 [0,2,0,0,0,0|2,0,0]=4 712 B7R0.1 C/C=C/COCSC 23688cc312d086b59922b656db80f73a [0,2,0,0,0,0|1,0,1]=4 713 B7R0.1 C/C=C\CNCCBr 43447af300404a2f54008c49dfec8dc2 [0,2,0,0,0,0|2,0,0]=4 714 B7R0.1 C/C=C\CNCCC 2a90c8871f0d7d1a548bb78ac367f3f1 [0,2,0,0,0,0|2,0,0]=4 715 B7R0.1 C/C=C\CNCCF 7ac625c3fe945e4d8cde9b24bc493aa5 [0,2,0,0,0,0|2,0,0]=4 716 B7R0.1 C/C=C\CNCCI c38330e1ccc4f355ab41780a7fe57a98 [0,2,0,0,0,0|2,0,0]=4 717 B7R0.1 C/C=C\CNCCO e483151d6d53004ee90a0eb1d13c2feb [0,2,0,0,0,0|2,0,0]=4 718 B7R0.1 C/C=C\CNCCS ad4d662c019814c813c98720bb3b4190 [0,2,0,0,0,0|2,0,0]=4 719 B7R0.1 C/C=C\COCCC 38b7687ce05adf4c23571dca2fffb3f7 [0,2,0,0,0,0|2,0,0]=4 720 B7R0.1 C/C=C\COCCF 128772a29868b08ea3dcf97cf49d645d [0,2,0,0,0,0|2,0,0]=4 721 B7R0.1 C/C=C\COCCS 8f2d30d43e15992a1b800a97a4ffb44c [0,2,0,0,0,0|2,0,0]=4 722 B7R0.1 C/C=C\COCSC 6a84996d8f92b35a4adb6e5d0a32a205 [0,2,0,0,0,0|1,0,1]=4 723 B7R0.1 C=CCCCNC#N 2caeec63334acbb1edf3ee2996a39bb2 [0,2,0,0,0,0|1,0,1]=4 724 B7R0.1 C=CCCCNC=O 1cec4421bae4af7df60106eb6ddcfad0 [0,2,0,0,0,0|1,0,1]=4 725 B7R0.1 C=CCCCNCC d6a027a0701e414181b831a715c54cb6 [0,2,0,0,0,0|1,0,1]=4 726 B7R0.1 C=CCCCNCF cb97b40f9334e05f8372c88939939ba7 [0,2,0,0,0,0|1,0,1]=4 727 B7R0.1 C=CCCCNCO bc1d764ba3fbc6d320ac3a3650c1927a [0,2,0,0,0,0|1,0,1]=4 728 B7R0.1 C=CCCCOCC 44cf1a7a597e160be341d31404acdfaa [0,2,0,0,0,0|1,1,0]=4 729 B7R0.1 C=CCCCOCF 9150f48496bbc264836807a58dabf768 [0,2,0,0,0,0|1,1,0]=4 730 B7R0.1 C=CCCNCCC c633813bb9d3717e891210de7cc1e8d5 [0,2,0,0,0,0|2,0,0]=4 731 B7R0.1 C=CCCNCOC 8f0f8bcd52f219bb312c8531dc0ad727 [0,2,0,0,0,0|1,1,0]=4 732 B7R0.1 C=CCCNCSC 06b88d7f781016906bb68e65d87663c6 [0,2,0,0,0,0|1,0,0]=3 733 B7R0.1 C=CCCOCCC b938a9e5fd3f24fa3adf9ccf635a9e5b [0,2,0,0,0,0|2,0,0]=4 734 B7R0.1 C=CCCOCOC 62062715ff07657ee6c733dcf0686178 [0,2,0,0,0,0|1,1,0]=4 735 B7R0.1 C=CCCOCSC 8e4f658ed6ad36c90d17543ce37f7151 [0,2,0,0,0,0|1,0,0]=3 736 B7R0.1 C=CCNCCCC 3d8f05f7ed31cff346091b529993046e [0,2,0,0,0,0|2,0,0]=4 737 B7R0.1 C=CCNCCCCl 3679e678eb93153f5724a81718275f41 [0,2,0,0,0,0|2,0,0]=4 738 B7R0.1 C=CCNCCCO aa8bb641288fa90753fbda311da1a40c [0,2,0,0,0,0|2,0,0]=4 739 B7R0.1 C=CCNCCOC 974c7bf3bf9c2bdfc437e72212118ea4 [0,2,0,0,0,0|1,1,0]=4 740 B7R0.1 C=CCNCCON d6a2b5d5e4daf1b2d12e175eb47f6f94 [0,2,0,0,0,0|1,0,1]=4 741 B7R0.1 C=CCNCCSC ace8fb59cb5eab62ee57d0c3ec9f66e8 [0,2,0,0,0,0|1,0,0]=3 742 B7R0.1 C=CCOCCCC 01358a2b7449cb631c1f1da5323f5dd1 [0,2,0,0,0,0|1,1,0]=4 743 B7R0.1 C=CCOCCCF 40b041b2892fed99cdc75dfb733702a2 [0,2,0,0,0,0|1,1,0]=4 744 B7R0.1 C=CCOCCCS 98c759132458623b822e3bded1f3e66b [0,2,0,0,0,0|1,1,0]=4 745 B7R0.1 C=CCOCCOC c2e8cad05b2dcbc1918ac525da469a03 [0,2,0,0,0,0|1,1,0]=4 746 B7R0.1 C=CCOCCSC 4d8cc13163069c87e5a0eeea53c81f9e [0,2,0,0,0,0|1,0,0]=3 747 B7R0.1 CC#CCCOCC 57277b2d6042ec0ef25dc33b854150f3 [0,2,0,0,0,0|2,0,0]=4 748 B7R0.1 CC#CCCOCF 4dd70dd8fd8335ae75c095064dddb38e [0,2,0,0,0,0|2,0,0]=4 749 B7R0.1 CC#CCNCCC 4b414b3d9a07af6bbc361621c1ca05f6 [0,2,0,0,0,0|2,0,0]=4 750 B7R0.1 CC#CCNCCF 01d48c161e79f77f95ae22b22084d06a [0,2,0,0,0,0|2,0,0]=4 751 B7R0.1 CC#CCNCCO 2843afe4d746cf0fa7225c6f04363618 [0,2,0,0,0,0|2,0,0]=4 752 B7R0.1 CC#CCNCCS 902f9c9631e817d5cba87698e69fda34 [0,2,0,0,0,0|2,0,0]=4 753 B7R0.1 CC#CCNCSC 41e4339950850a850e6af84422ffa207 [0,2,0,0,0,0|1,0,1]=4 754 B7R0.1 CC#CCOCCC 96b5db71ecc94b22411d45119de902db [0,2,0,0,0,0|2,0,0]=4 755 B7R0.1 CC#CCOCCF 740691fb43c87d7c36d122faabbd0af1 [0,2,0,0,0,0|2,0,0]=4 756 B7R0.1 CC#CCOCCS d741f417902af4e709d92de885608290 [0,2,0,0,0,0|2,0,0]=4 757 B7R0.1 CC#CCOCSC d5aba0e06945bb4c7f9509ebe9e36870 [0,2,0,0,0,0|1,0,1]=4 758 B7R0.1 CC=CCNCCC d4fc04fa66d17ace996fba409177ba31 [0,2,0,0,0,0|2,0,0]=4 759 B7R0.1 CC=CCNCCF 88c3a17803925ef7e1d460e3befc957c [0,2,0,0,0,0|2,0,0]=4 760 B7R0.1 CC=CCNCCO 93f2efc2ffb774dced82bd601d90a1f7 [0,2,0,0,0,0|2,0,0]=4 761 B7R0.1 CC=CCNCCS 300a3760c2e53e00dc20e7259093b271 [0,2,0,0,0,0|2,0,0]=4 762 B7R0.1 CC=CCNCSC c0519be36f252594cd855df57e94ba45 [0,2,0,0,0,0|1,0,1]=4 763 B7R0.1 CC=CCOCCC 295cbe6ac3a62354900ac5e447c73dc1 [0,2,0,0,0,0|2,0,0]=4 764 B7R0.1 CC=CCOCCF 2b66b5c53271163b834e6079087c606a [0,2,0,0,0,0|2,0,0]=4 765 B7R0.1 CC=CCOCCS e0c9d5b393d675525a5f335999863b2e [0,2,0,0,0,0|2,0,0]=4 766 B7R0.1 CC=CCOCSC de031ea42a610ae95f35742435b8d445 [0,2,0,0,0,0|1,0,1]=4 767 B7R0.1 CCCCCNC#N 3741c8bad86bab083bc5d0a30e6bddc8 [0,2,0,0,0,0|1,0,0]=3 768 B7R0.1 CCCCCNC=O a8a22095c4bcd5b43c5b29c77fc7eedb [0,2,0,0,0,0|1,0,0]=3 769 B7R0.1 CCCCCNCC e4fc231c21797e6191f546ff9bcbf191 [0,2,0,0,0,0|1,0,0]=3 770 B7R0.1 CCCCCNCF ac90ce28f099294c590373d3f9f6da79 [0,2,0,0,0,0|1,0,0]=3 771 B7R0.1 CCCCCNCO ec5ba66caaffe66e13002eeb0f8fbef0 [0,2,0,0,0,0|1,0,0]=3 772 B7R0.1 CCCCCOCC bc8c76b482c8637477570a20a92424f9 [0,2,0,0,0,0|1,1,0]=4 773 B7R0.1 CCCCCOCF 12202160b083613b3fc9b1e5cca026a2 [0,2,0,0,0,0|1,1,0]=4 774 B7R0.1 CCCCNCC#N 076f54c0f29c99fe6d3ed9b29d359907 [0,2,0,0,0,0|1,0,1]=4 775 B7R0.1 CCCCNCC=O 2e37d7006381e9687c17149af03971de [0,2,0,0,0,0|2,0,0]=4 776 B7R0.1 CCCCNCCBr 6994c0f761f70c79e3636f87821a4da7 [0,2,0,0,0,0|2,0,0]=4 777 B7R0.1 CCCCNCCC a3b3a945f6f1baa84f39f99cc86c2768 [0,2,0,0,0,0|2,0,0]=4 778 B7R0.1 CCCCNCCF a4a379fc89c7098446dbe8e70a8f3629 [0,2,0,0,0,0|2,0,0]=4 779 B7R0.1 CCCCNCCI 9d533ae71c7c61157641b188cb16d262 [0,2,0,0,0,0|2,0,0]=4 780 B7R0.1 CCCCNCCO 45e09e0eaf8e70243153c679742c268d [0,2,0,0,0,0|2,0,0]=4 781 B7R0.1 CCCCNCCS e10b263df14eb689519a5b45c170340c [0,2,0,0,0,0|2,0,0]=4 782 B7R0.1 CCCCNCOC fca288cb8dbe01759ae101c18bfa412c [0,2,0,0,0,0|1,1,0]=4 783 B7R0.1 CCCCNCSC 10583efc20422e1524a2f4955b629777 [0,2,0,0,0,0|1,0,0]=3 784 B7R0.1 CCCCOCC#N dc85f7fa683b49a24bf8a0a97aaed99b [0,2,0,0,0,0|1,0,1]=4 785 B7R0.1 CCCCOCC=O 059f1387d1800516c5888740482db589 [0,2,0,0,0,0|1,1,0]=4 786 B7R0.1 CCCCOCCC e85630c69ee3c8e8f032efaf949c778a [0,2,0,0,0,0|1,1,0]=4 787 B7R0.1 CCCCOCCF 174e59bdf2395ea80ece65db27934915 [0,2,0,0,0,0|1,1,0]=4 788 B7R0.1 CCCCOCCS 74c4cbde8803965399df836274456678 [0,2,0,0,0,0|1,1,0]=4 789 B7R0.1 CCCCOCOC 9cbd5d2e1afa2f28354b07c6bb86bcff [0,2,0,0,0,0|1,1,0]=4 790 B7R0.1 CCCCOCSC 6214365bdf8f1aabc77c5be5879f4319 [0,2,0,0,0,0|1,0,0]=3 791 B7R0.1 CCCNCCC#N e1599a2501e5939a529641f13b21e273 [0,2,0,0,0,0|1,0,1]=4 792 B7R0.1 CCCNCCC=O 6175371dd27625c7d44a4a376a810e9d [0,2,0,0,0,0|2,0,0]=4 793 B7R0.1 CCCNCCCCl 05aad0ada33ce1df42fe1d1576685bfa [0,2,0,0,0,0|2,0,0]=4 794 B7R0.1 CCCNCCCF 5d767cf9963f4f908c6ad9d2f041592c [0,2,0,0,0,0|2,0,0]=4 795 B7R0.1 CCCNCCCO 600eb878efec79e60bf3b2a8b60d23ae [0,2,0,0,0,0|2,0,0]=4 796 B7R0.1 CCCNCCCS fc06966689a479decefc05eb0a8ab32b [0,2,0,0,0,0|2,0,0]=4 797 B7R0.1 CCCNCCOC f29ce84f8c4a36f99b7727e369f1b3a2 [0,2,0,0,0,0|1,1,0]=4 798 B7R0.1 CCCNCCON bf9627abd7d34e77302e8e1bfd5dbfaa [0,2,0,0,0,0|1,0,0]=3 799 B7R0.1 CCCNCCSC 3757aef87d98f69d6de97ecc900f7388 [0,2,0,0,0,0|1,0,0]=3 800 B7R0.1 CCCNCOCC f89dea50a122fa5932f7231cba792011 [0,2,0,0,0,0|1,1,0]=4 801 B7R0.1 CCCNCSC#N 13544467129ba8b8d400327b8930a043 [0,2,0,0,0,0|1,0,1]=4 802 B7R0.1 CCCOCCC#N 91c533a2e6a7807a614f40e6691a9c4f [0,2,0,0,0,0|1,0,1]=4 803 B7R0.1 CCCOCCC=O 066ce9d71bb9cb79ed95a965d8418289 [0,2,0,0,0,0|2,0,0]=4 804 B7R0.1 CCCOCCCF 522fb4722b6639ce9c12cb71accf1c57 [0,2,0,0,0,0|1,1,0]=4 805 B7R0.1 CCCOCCCS c6a4adfcc507637ade07069cbc203677 [0,2,0,0,0,0|1,1,0]=4 806 B7R0.1 CCCOCCOC 587c6353ef70a105adefc48caf2dd9ab [0,2,0,0,0,0|1,1,0]=4 807 B7R0.1 CCCOCCSC b3590bd253aafe46029a55cc708714f0 [0,2,0,0,0,0|1,0,0]=3 808 B7R0.1 CCCOCOCC e1fcffafca5dab827c13d8468a4e4aff [0,2,0,0,0,0|1,1,0]=4 809 B7R0.1 CCCOCSC#N 8be972fdc3f8d6a5b275bb3b76884793 [0,2,0,0,0,0|1,0,1]=4 810 B7R0.1 CCNCCCC#N 3005d7a991c7154c0fa03cc1d0341956 [0,2,0,0,0,0|1,0,1]=4 811 B7R0.1 CCNCCCCCl 4d7dec7a70ffb7caf22f71709e83606c [0,2,0,0,0,0|2,0,0]=4 812 B7R0.1 CCNCCCCO 8314b38fc58537828c26adc5093ed491 [0,2,0,0,0,0|2,0,0]=4 813 B7R0.1 CCNCCCCS 4d91597b38f1a9587a1a3a986f181250 [0,2,0,0,0,0|2,0,0]=4 814 B7R0.1 CCNCCCOC 38e4872da65a7f4c607195bb3a42a7d3 [0,2,0,0,0,0|0,1,0]=3 815 B7R0.1 CCNCCCSC aa8dfcab5e82af1c5df7e93c6119936d [0,2,0,0,0,0|0,0,0]=2 816 B7R0.1 CCNCCOCC e33ba910d026a1283fba761527911515 [0,2,0,0,0,0|1,1,0]=4 817 B7R0.1 CCNCCSCC edb2f0059a33d413061b7eb66b7302b3 [0,2,0,0,0,0|1,0,0]=3 818 B7R0.1 CCOCCCC#N 948f97b854455bf5a7dc5b58c1f47f3e [0,2,0,0,0,0|0,1,1]=4 819 B7R0.1 CCOCCCC=O 8252684f63a0fadbbbc733c07d72d862 [0,2,0,0,0,0|1,1,0]=4 820 B7R0.1 CCOCCCCF a309ddf8ba0f9055832bde37214b59d2 [0,2,0,0,0,0|1,1,0]=4 821 B7R0.1 CCOCCCCS 29d95ab249579051b9ba4b50c383360a [0,2,0,0,0,0|1,1,0]=4 822 B7R0.1 CCOCCCOC a7162a0b2ffcde779cbd4b369203415c [0,2,0,0,0,0|1,1,0]=4 823 B7R0.1 CCOCCCSC be404ed3e31ed74d0583a7b0fdd85c14 [0,2,0,0,0,0|1,0,0]=3 824 B7R0.1 CCOCCNC#N b1f1ec03337395c259b4adad9fada2ca [0,2,0,0,0,0|2,0,0]=4 825 B7R0.1 CCOCCNC=O 5ff8b0f631a008d336c5b5d059941e52 [0,2,0,0,0,0|2,0,0]=4 826 B7R0.1 CCOCCNCF 192b9172bb386f67e6f22749157a2b40 [0,2,0,0,0,0|1,1,0]=4 827 B7R0.1 CCOCCNCO e2eefbd861380598dec880b760814d85 [0,2,0,0,0,0|1,1,0]=4 828 B7R0.1 CCOCCOCC 0e67836f7951e4d542cdaecda70d9cec [0,2,0,0,0,0|1,1,0]=4 829 B7R0.1 CCOCCOCF 480e61a3f34351f7f6b3989331094335 [0,2,0,0,0,0|1,1,0]=4 830 B7R0.1 CCOCCSCC 15148439503b47dc3011533709c6631e [0,2,0,0,0,0|1,0,0]=3 831 B7R0.1 CCOCNCCBr 1827db2361912a3e925649aba42666a5 [0,2,0,0,0,0|1,1,0]=4 832 B7R0.1 CCOCNCCF b62ef1c74f3a371f515bff0f94e4a986 [0,2,0,0,0,0|1,1,0]=4 833 B7R0.1 CCOCNCCI dfc16f7c8e4cd71609ed0df3faf045e6 [0,2,0,0,0,0|1,1,0]=4 834 B7R0.1 CCOCNCCO f221c34d35f484f7601137254b505360 [0,2,0,0,0,0|1,1,0]=4 835 B7R0.1 CCOCNCCS 61cac2ef7667a598f9431aaf8578ce69 [0,2,0,0,0,0|1,1,0]=4 836 B7R0.1 CCOCOCCS f026d3a8c3aa4a6570f751e16a6f3578 [0,2,0,0,0,0|1,1,0]=4 837 B7R0.1 CCOCOCOC 886e60a6bdd12e955350fa9fc5f12763 [0,2,0,0,0,0|1,1,0]=4 838 B7R0.1 CCSCCNC#N 146f8420c51eba76d3764a00770c7215 [0,2,0,0,0,0|0,0,2]=4 839 B7R0.1 CCSCCNC=O 385ec0536f2dafb781a8f3aea079d78c [0,2,0,0,0,0|1,0,1]=4 840 B7R0.1 CCSCCNCF 1cb006aeda44e1ad18efcb0d926eca75 [0,2,0,0,0,0|1,0,0]=3 841 B7R0.1 CCSCCNCO d46776a8ac8e806badbf181dbecaf11f [0,2,0,0,0,0|1,0,0]=3 842 B7R0.1 CCSCCOCF 1f42e8881d9b6b5eaf1c6a145775650a [0,2,0,0,0,0|1,0,0]=3 843 B7R0.1 COCCCNC#N 0f6144afc64c8968181a8d95a7f06e48 [0,2,0,0,0,0|0,1,0]=3 844 B7R0.1 COCCCNC=O 8b809f06a028927c1bb77d4ce795b6c6 [0,2,0,0,0,0|0,1,0]=3 845 B7R0.1 COCCCNCF 0de913c50fcf952c40c1eb9acd73fe8a [0,2,0,0,0,0|0,1,0]=3 846 B7R0.1 COCCCNCO 7f15d3e78e16ebdbf4dea7c28747923f [0,2,0,0,0,0|0,1,0]=3 847 B7R0.1 COCCCOCF 383f82bc810c552636ded41a86a82688 [0,2,0,0,0,0|1,1,0]=4 848 B7R0.1 COCCNCC#N eb0c03abb6091d3cacb87bad68b043b8 [0,2,0,0,0,0|0,1,1]=4 849 B7R0.1 COCCNCC=O 30a27f931dd328052d03310080bbede9 [0,2,0,0,0,0|1,1,0]=4 850 B7R0.1 COCCNCCBr 2c0ba12fa96886ef5fdb5581980e28f1 [0,2,0,0,0,0|1,1,0]=4 851 B7R0.1 COCCNCCF 6ecb1cffa67194968eb41c79846d8012 [0,2,0,0,0,0|1,1,0]=4 852 B7R0.1 COCCNCCI ed8d29688d82e189aba9361797d463b8 [0,2,0,0,0,0|1,1,0]=4 853 B7R0.1 COCCNCCO fc530150283f0a9894550a64892a4dcb [0,2,0,0,0,0|1,1,0]=4 854 B7R0.1 COCCNCCS c0a317f4b6286b56fe7eca7ac272c8f5 [0,2,0,0,0,0|1,1,0]=4 855 B7R0.1 COCCNCOC 480d61e36aa567c09ff8b4ee22ba8fb7 [0,2,0,0,0,0|1,1,0]=4 856 B7R0.1 COCCNCSC 72ab39c075daf29b6ecad1caa1c97854 [0,2,0,0,0,0|1,0,0]=3 857 B7R0.1 COCCOCC#N b90956fc2162334882ae018cf0cd9999 [0,2,0,0,0,0|0,1,1]=4 858 B7R0.1 COCCOCC=O 7bf0866abc6521aca0a006639887e6db [0,2,0,0,0,0|1,1,0]=4 859 B7R0.1 COCCOCCF d9d67c9b64f4650916e8f6b281251603 [0,2,0,0,0,0|1,1,0]=4 860 B7R0.1 COCCOCCS 8f2426725fd10f0093a25980f3885bf6 [0,2,0,0,0,0|1,1,0]=4 861 B7R0.1 COCCOCOC 3ee644b2e59bd74fbd558211d7299c19 [0,2,0,0,0,0|1,1,0]=4 862 B7R0.1 COCCOCSC 5c26bae9265ce5a87c900f7aa15dfe78 [0,2,0,0,0,0|1,0,0]=3 863 B7R0.1 COCNCCC#N cc2251ff8ea941c024cd02b8a471dad3 [0,2,0,0,0,0|0,1,1]=4 864 B7R0.1 COCNCCCCl e11c6750f379b7dd0f2aa8aa12ea432c [0,2,0,0,0,0|1,1,0]=4 865 B7R0.1 COCNCCCO 514e51520c1fb8a1d3be4a389b10ee42 [0,2,0,0,0,0|1,1,0]=4 866 B7R0.1 COCNCCON e818b1642f9d5633402b5da4d1790fea [0,2,0,0,0,0|0,1,0]=3 867 B7R0.1 COCNCCSC 006b3262e1fae93890055c509edc01aa [0,2,0,0,0,0|1,0,0]=3 868 B7R0.1 COCOCCC#N 27e16b974b5a8cc8e6db8589fb85ef21 [0,2,0,0,0,0|0,1,1]=4 869 B7R0.1 COCOCCC=O 867162fff7db4dfba86a4f93622307d6 [0,2,0,0,0,0|1,1,0]=4 870 B7R0.1 COCOCCCF ea9ab696bc11b376553e55283bba40b0 [0,2,0,0,0,0|1,1,0]=4 871 B7R0.1 COCOCCCS c9a5ae4ccf577982766fcc6a9836964f [0,2,0,0,0,0|1,1,0]=4 872 B7R0.1 COCOCCSC 0ec0a0ffe6fa6c0de12bdad5b2c783a1 [0,2,0,0,0,0|1,0,0]=3 873 B7R0.1 CSCCCNC#N 29e7c3d9663c361da4f524d97528f957 [0,2,0,0,0,0|0,0,0]=2 874 B7R0.1 CSCCCNC=O 7314f13ceee46dd5e864578ae6458630 [0,2,0,0,0,0|0,0,0]=2 875 B7R0.1 CSCCCNCF 64d1184992451aa1884493fe4b590a70 [0,2,0,0,0,0|0,0,0]=2 876 B7R0.1 CSCCCNCO 0e35ff7cab5ce9b5f1fe3019d22ea16e [0,2,0,0,0,0|0,0,0]=2 877 B7R0.1 CSCCCOCF cac4a2023f18fecfef532a4dd1cfe7d1 [0,2,0,0,0,0|1,0,0]=3 878 B7R0.1 CSCCNCC#N ca692066b238f6a34d0bef0e2933c568 [0,2,0,0,0,0|0,0,1]=3 879 B7R0.1 CSCCNCC=O 8de69eeee638d27e11ca8a7f5e17ae95 [0,2,0,0,0,0|1,0,0]=3 880 B7R0.1 CSCCNCCBr 0df0dd2a1b52ee00d918cc43b8e9fbfc [0,2,0,0,0,0|1,0,0]=3 881 B7R0.1 CSCCNCCF 1052905f572f53fc13be5d31c94895b3 [0,2,0,0,0,0|1,0,0]=3 882 B7R0.1 CSCCNCCI 071ae319a95453665d95a4320be239f1 [0,2,0,0,0,0|1,0,0]=3 883 B7R0.1 CSCCNCCO 98ea2c21875828fd22fee65d8b2ac707 [0,2,0,0,0,0|1,0,0]=3 884 B7R0.1 CSCCNCCS bdb5b2bb4b62742eac983ce8d1d9f54f [0,2,0,0,0,0|1,0,0]=3 885 B7R0.1 CSCCNCSC c95d7134a711d4b488bdbefe6ca5bba2 [0,2,0,0,0,0|1,0,0]=3 886 B7R0.1 CSCCOCC#N 60b29e5b38003acb06d04b0849bbc3aa [0,2,0,0,0,0|0,0,1]=3 887 B7R0.1 CSCCOCC=O 7ceb38e7eb56bc23c985da3b919bcd85 [0,2,0,0,0,0|1,0,0]=3 888 B7R0.1 CSCCOCCF 6604e59cd9a52c5fe3d0c09fe9af7e44 [0,2,0,0,0,0|1,0,0]=3 889 B7R0.1 CSCCOCCS 88341594722383d10f6ed6cbf42a47db [0,2,0,0,0,0|1,0,0]=3 890 B7R0.1 CSCCOCSC 9519eec518244bf1271e0902542b4628 [0,2,0,0,0,0|1,0,0]=3 891 B7R0.1 CSCNCCC#N eb7c18cf854451f5500c3dd1bd6398f5 [0,2,0,0,0,0|0,0,1]=3 892 B7R0.1 CSCNCCCCl 51dabe46130ddcc5de8ce75223aaf6fb [0,2,0,0,0,0|1,0,0]=3 893 B7R0.1 CSCNCCCO f55eebe3b8375230b40b6450474c6b2b [0,2,0,0,0,0|1,0,0]=3 894 B7R0.1 CSCNCCON f945713b8e9f4296ef67e0e0bee29bdc [0,2,0,0,0,0|0,0,0]=2 895 B7R0.1 CSCOC/C=C/Cl 3ee5a68441250b3cf5638326af863781 [0,2,0,0,0,0|1,0,1]=4 896 B7R0.1 CSCOCC#CI 9f660a7c871ae23c41d42172fc52f0ba [0,2,0,0,0,0|1,0,1]=4 897 B7R0.1 CSCOCC=CCl 7cd648a824797190e57c5ab8fe47f14d [0,2,0,0,0,0|1,0,1]=4 898 B7R0.1 CSCOCCC#N 49194787fe7da60bddbd554c64dc7b5a [0,2,0,0,0,0|0,0,1]=3 899 B7R0.1 CSCOCCC=O eca7e28d98d26bea86d16bbabb7f8fbd [0,2,0,0,0,0|1,0,0]=3 900 B7R0.1 CSCOCCCF 60ff695173cadbfa45054bdc1853270f [0,2,0,0,0,0|1,0,0]=3 901 B7R0.1 CSCOCCCS 4435e9a90a047badb2b6d713e0445552 [0,2,0,0,0,0|1,0,0]=3 902 B7R0.1 FCCCCOCF aa349be2c27536d4cce8f169856f8ad3 [0,2,0,0,0,0|1,1,0]=4 903 B7R0.1 FCCCNCCBr 91600bc23ccdce017338e995a8c500e3 [0,2,0,0,0,0|2,0,0]=4 904 B7R0.1 FCCCNCCF 4d3919857ed95a42257c5d4363064175 [0,2,0,0,0,0|2,0,0]=4 905 B7R0.1 FCCCNCCI 1b37e2336b8934153a10fbca0dcac08a [0,2,0,0,0,0|2,0,0]=4 906 B7R0.1 FCCCNCCS aa9cf5baa1390498a4d22fc5bb56f9a3 [0,2,0,0,0,0|2,0,0]=4 907 B7R0.1 FCCCOCCF fca0942a564795f2da96aa3bdfc98a19 [0,2,0,0,0,0|1,1,0]=4 908 B7R0.1 FCCCOCCS 81bc46547292bbd00e5f82ac34ad84ba [0,2,0,0,0,0|1,1,0]=4 909 B7R0.1 FCCNCCCCl 66a40627c901d99d34adccc931cea448 [0,2,0,0,0,0|2,0,0]=4 910 B7R0.1 FCCNCCCS 1b80d3c194b1768a056ab7f50165e404 [0,2,0,0,0,0|2,0,0]=4 911 B7R0.1 FCCOCCCS c8ba8fe92c3ea035b23c022cec48d645 [0,2,0,0,0,0|1,1,0]=4 912 B7R0.1 FCNCCCCCl 1f62d148cf28827af64f05ab47d8a0d1 [0,2,0,0,0,0|2,0,0]=4 913 B7R0.1 FCNCCCCS 20de7e7c5ad02c9ab73f0feca6604233 [0,2,0,0,0,0|2,0,0]=4 914 B7R0.1 FCOCCCCS 2a152d1f18d97aad9e2418d39187145d [0,2,0,0,0,0|1,1,0]=4 915 B7R0.1 N#CCCCNC#N cebe6527c009007c7a2bcb7410e1661f [0,2,0,0,0,0|2,0,0]=4 916 B7R0.1 N#CCCCNC=O 2ee9339659cd26f3551604e3c373e82a [0,2,0,0,0,0|2,0,0]=4 917 B7R0.1 N#CCCCNCF cd2cde5f004bd6525b8fd85e485c94d8 [0,2,0,0,0,0|1,0,1]=4 918 B7R0.1 N#CCCCNCO 5c0d2266f0898fe9160186844f3620ff [0,2,0,0,0,0|1,0,1]=4 919 B7R0.1 N#CCCCOCF 20aba03032603549301f549b721d3f57 [0,2,0,0,0,0|0,1,1]=4 920 B7R0.1 N#CCNCCCCl 32c8ddf5121a62d37792f26f283a5412 [0,2,0,0,0,0|2,0,0]=4 921 B7R0.1 N#CCNCCCF e866cd5c080968efadf88b59dc1a8a68 [0,2,0,0,0,0|2,0,0]=4 922 B7R0.1 N#CCNCCCO 096b3fdf56b864457e81281fda450e8d [0,2,0,0,0,0|2,0,0]=4 923 B7R0.1 N#CCNCCCS abeed03b2458f68a81ef6d1caa8a7822 [0,2,0,0,0,0|2,0,0]=4 924 B7R0.1 N#CCNCCON 85c6cd38021212987ae83c163c21a6f3 [0,2,0,0,0,0|2,0,0]=4 925 B7R0.1 N#CCOCCCF 0987b6cf0dc97782d95acca8f31d2cc8 [0,2,0,0,0,0|1,1,0]=4 926 B7R0.1 N#CCOCCCS 3c2defd9fab2628e3af6d6b3cfddb262 [0,2,0,0,0,0|1,1,0]=4 927 B7R0.1 N#CNCCCC=O de6c2527b5c583058557280e038afe12 [0,2,0,0,0,0|2,0,0]=4 928 B7R0.1 N#CNCCCCF 293aa64c3e1b35abd5e5acc5aa0ddc2f [0,2,0,0,0,0|2,0,0]=4 929 B7R0.1 N#CNCCCCO 5d8d2e101890ae37736cc18e998548c9 [0,2,0,0,0,0|2,0,0]=4 930 B7R0.1 N#CSCNCCBr b235194bda45447e9c7afe08c0f7f05b [0,2,0,0,0,0|1,0,1]=4 931 B7R0.1 N#CSCNCCF 4eb6d90bc72897897875da74ea9b54c0 [0,2,0,0,0,0|1,0,1]=4 932 B7R0.1 N#CSCNCCI 513d55425b277eaeea5926e945b3c12a [0,2,0,0,0,0|1,0,1]=4 933 B7R0.1 N#CSCNCCO b95d82e4e133cdda33fed131bb7848cc [0,2,0,0,0,0|1,0,1]=4 934 B7R0.1 N#CSCNCCS a134ce0bb61bb187001bcf6e95ef6dd6 [0,2,0,0,0,0|1,0,1]=4 935 B7R0.1 N#CSCOCCS 3f9597c7627792bcf069de1941f8503e [0,2,0,0,0,0|1,0,1]=4 936 B7R0.1 NOCCNCC=O d5b2df80c78a07217edb4574fec6b418 [0,2,0,0,0,0|2,0,0]=4 937 B7R0.1 NOCCNCCF 9155179455f286a04fa8d7e0b1373ae4 [0,2,0,0,0,0|2,0,0]=4 938 B7R0.1 NOCCNCCO 316ac866d29370b4f25aba7013bd8afb [0,2,0,0,0,0|2,0,0]=4 939 B7R0.1 NOCCNCCS 36a77034ae90d4309a8810f6f29ee88c [0,2,0,0,0,0|2,0,0]=4 940 B7R0.1 O=CCCCOCF 78f6a2560292de5460d17953e3976f02 [0,2,0,0,0,0|1,1,0]=4 941 B7R0.1 O=CCNCCCCl b1d3b8faf2fb5ab605f4c9413bd0ce31 [0,2,0,0,0,0|2,0,0]=4 942 B7R0.1 O=CCNCCCO 68540a99f30371e028542cb2d30d539a [0,2,0,0,0,0|2,0,0]=4 943 B7R0.1 O=CCOCCCF 30c212e5e5e6bba647ac0be6ae41e232 [0,2,0,0,0,0|1,1,0]=4 944 B7R0.1 O=CCOCCCS cee0da51fe633a0479c401372ce33e5f [0,2,0,0,0,0|1,1,0]=4 945 B7R0.1 O=CNCCCCCl f92f31577db7c76752d74048c9613e26 [0,2,0,0,0,0|2,0,0]=4 946 B7R0.1 O=CNCCCCO 2b728fba12236cded175996b460e95da [0,2,0,0,0,0|2,0,0]=4 947 B7R0.1 O=CNCCCCS 8f7648f8a23508fcd6d57892fa9ccef7 [0,2,0,0,0,0|2,0,0]=4 948 B7R0.1 OCCCCNCF 7e26da81cb202e81f9fa6935013ff164 [0,2,0,0,0,0|2,0,0]=4 949 B7R0.1 OCCCCNCO 3308a62177334006d69e4e812a481bb1 [0,2,0,0,0,0|2,0,0]=4 950 B7R0.1 OCCCNCCBr 298f76d93b4a56118785c24aabe36d03 [0,2,0,0,0,0|2,0,0]=4 951 B7R0.1 OCCCNCCF 160ffea2dd40155e84c24124da4d3bb5 [0,2,0,0,0,0|2,0,0]=4 952 B7R0.1 OCCCNCCI b0caa3b33126ba633de191e5b27be25d [0,2,0,0,0,0|2,0,0]=4 953 B7R0.1 OCCCNCCO b7e543e706324c7668084e51d2ac83f2 [0,2,0,0,0,0|2,0,0]=4 954 B7R0.1 OCCCNCCS a78d7d11eead19ac41bdcdfaa23aa4c3 [0,2,0,0,0,0|2,0,0]=4 955 B7R0.1 OCCNCCCCl 10a4c88cfa54a10eeb2391e86b7e00e5 [0,2,0,0,0,0|2,0,0]=4 956 B7R0.1 OCCNCCCF 91fb92031bfde2e9db842bc4e4a8eee4 [0,2,0,0,0,0|2,0,0]=4 957 B7R0.1 OCCNCCCS c5d3e46e0ec074044c852191bd32ce81 [0,2,0,0,0,0|2,0,0]=4 958 B7R0.1 OCNCCCCCl ca8e2c827cdc1f4b61ee0f17daccc9f0 [0,2,0,0,0,0|2,0,0]=4 959 B7R0.1 OCNCCCCS 703d007b8ef355c907943572af1839f8 [0,2,0,0,0,0|2,0,0]=4 960 B7R0.1 SCCCNCCBr c76d64532c3c4e30b8e88db0eb0574e0 [0,2,0,0,0,0|2,0,0]=4 961 B7R0.1 SCCCNCCI 9c2dc60770e500e6ef6356d791aa9449 [0,2,0,0,0,0|2,0,0]=4 962 B7R0.1 SCCCNCCS 6da2f9a140fa6ffc40782d51ddbbf523 [0,2,0,0,0,0|2,0,0]=4 963 B7R0.1 SCCCOCCS 51e8e4f1171e572a4260dbc376b0f4f6 [0,2,0,0,0,0|1,1,0]=4 964 B7R0.1 SCCNCCCCl f754f13d7aad8b18d312c4be1245ea2e [0,2,0,0,0,0|2,0,0]=4 965 B7R1.1 CCN1CCSC1 730634b8317de27b8a9a28fdabe291cf [0,1,0,1,0,0|1,0,0]=3 966 B7R1.1 FCN1CCSC1 280fb2e3c3c0e89c3fe1aee00c83a980 [0,1,0,1,0,0|1,0,0]=3 967 B7R1.1 O=CN1CCSC1 deebe3649f7643e16cec43e0dece7683 [0,1,0,1,0,0|1,0,1]=4 968 B7R1.1 OCN1CCSC1 eae95837dccffc2f7a7274fcca16f66d [0,1,0,1,0,0|1,0,0]=3 969 B7R1.5 CC1CC1NCF a80d6604729f7f2bce9bccef0f1b4434 [0,1,0,1,0,0|2,0,0]=4 970 B7R1.5 CC1CC1NCO d401c45702bc5f310a419d102b35b78c [0,1,0,1,0,0|2,0,0]=4 971 B7R1.5 CCNC1CC1C f508b0aca7d0eee090ca628f208f8e9f [0,1,0,1,0,0|2,0,0]=4 972 B7R1.5 CCN[C@@H]1C[C@H]1F a9ed78f8f4d6551b032eaf6c64ed3753 [0,1,0,1,0,0|2,0,0]=4 973 B7R1.5 CCN[C@H]1C[C@@H]1F c6b3e7162a2649713fb720ae5883a3e7 [0,1,0,1,0,0|2,0,0]=4 974 B7R1.5 CCN[C@H]1C[C@H]1F f495a57898c13a33e7cadc888da3307f [0,1,0,1,0,0|2,0,0]=4 975 B7R1.5 FCN[C@@H]1C[C@H]1F 85280cfa96aef3574f1a732db8092b29 [0,1,0,1,0,0|2,0,0]=4 976 B7R1.5 FCN[C@H]1C[C@@H]1F 1f63cb641d6bd19939755765aa7189cf [0,1,0,1,0,0|2,0,0]=4 977 B7R1.5 FCN[C@H]1C[C@H]1F 2caca4e65c5956ad486cd33521d8a5ac [0,1,0,1,0,0|2,0,0]=4 978 B7R1.5 OCN[C@@H]1C[C@H]1F 3df34e466ae971e7539960ae02b859ec [0,1,0,1,0,0|2,0,0]=4 979 B7R1.5 OCN[C@H]1C[C@@H]1F c189de4ce3986a31a5c69dca6c280199 [0,1,0,1,0,0|2,0,0]=4 980 B7R1.5 OCN[C@H]1C[C@H]1F 9d9be3ca1e72afafdc1357d9fb78bbb0 [0,1,0,1,0,0|2,0,0]=4 981 B7R1.6 CCCN1CCC1 a259a8722cbac8bcd506f8443743eda0 [0,1,0,1,0,0|2,0,0]=4 982 B7R1.6 CCNC1CCC1 70dad6b0302b94a460da5136f772c3a8 [0,1,0,1,0,0|2,0,0]=4 983 B7R1.6 CCNC1COC1 43258951421d9554a9c394ad23b1cfb7 [0,1,0,1,0,0|1,1,0]=4 984 B7R1.6 CCOC1CCC1 1be1aa1621ba0b71d53802beb6ef9946 [0,1,0,1,0,0|1,1,0]=4 985 B7R1.6 CCOC1COC1 5ee51175a5d1fbea3fd7b3b34e98d1ce [0,1,0,1,0,0|1,1,0]=4 986 B7R1.6 CCOC1CSC1 e43094097e190583d3451ab95271420f [0,1,0,1,0,0|1,0,0]=3 987 B7R1.6 COCN1CCC1 fdad72c8566c59cd906eeb990103d9b4 [0,1,0,1,0,0|1,1,0]=4 988 B7R1.6 CSCN1CCC1 8d8000922b7cbeced70675a205703dc0 [0,1,0,1,0,0|1,0,0]=3 989 B7R1.6 FCCN1CCC1 52ac16ebd7ad59d3186f1b7ac85be8d4 [0,1,0,1,0,0|2,0,0]=4 990 B7R1.6 FCNC1CCC1 0b3b99e19517ff72296b77b01d86ca54 [0,1,0,1,0,0|2,0,0]=4 991 B7R1.6 FCNC1COC1 0688b607086181c74c3be657cc5d310c [0,1,0,1,0,0|1,1,0]=4 992 B7R1.6 FCOC1CCC1 9e1f264b6931548d5472d7bf95e89d96 [0,1,0,1,0,0|1,1,0]=4 993 B7R1.6 FCOC1COC1 34c857acb95e7e5066efa9e8f851b6c5 [0,1,0,1,0,0|1,1,0]=4 994 B7R1.6 FCOC1CSC1 c3629ce88eeefd302ac1510ed7a5efdb [0,1,0,1,0,0|1,0,0]=3 995 B7R1.6 OCCN1CCC1 1d260cf3c54be4529d167a32e498c498 [0,1,0,1,0,0|2,0,0]=4 996 B7R1.6 OCNC1CCC1 8514f35646cacb22efc5d7fadc2f3b2f [0,1,0,1,0,0|2,0,0]=4 997 B7R1.6 OCNC1COC1 70c7bde4c76017dd84cc14dbc8c4b262 [0,1,0,1,0,0|1,1,0]=4 998 B7R1.6 SCCN1CCC1 ec2df4a9d0cd081fc93da3aeca69b593 [0,1,0,1,0,0|2,0,0]=4 999 B7R1.7 BrCCNC1CC1 1393b058767cc277491294f53cdb074c [0,1,0,1,0,0|2,0,0]=4 1000 B7R1.7 CCCNC1CC1 ccd7cbe1c58ebed6997b07f91e0c6017 [0,1,0,1,0,0|2,0,0]=4 1001 B7R1.7 CCCOC1CC1 1605df6110acb8784adb6061f4289edf [0,1,0,1,0,0|2,0,0]=4 1002 B7R1.7 CCNCC1CC1 94bf8bf2338afb688443da3f753f1292 [0,1,0,1,0,0|2,0,0]=4 1003 B7R1.7 CCOCC1CC1 744f8109a21f695c28440e411c1b9ca0 [0,1,0,1,0,0|1,1,0]=4 1004 B7R1.7 COCNC1CC1 2800df33eaeca479e7ad5159beea729f [0,1,0,1,0,0|1,1,0]=4 1005 B7R1.7 COCOC1CC1 026a9c25eccde58eb88281f1e9079e4e [0,1,0,1,0,0|1,1,0]=4 1006 B7R1.7 CSCNC1CC1 0c824667fb972af505e34e3d4012a12e [0,1,0,1,0,0|1,0,0]=3 1007 B7R1.7 CSCOC1CC1 31d94a402b0c255e4d0b0577bbb73612 [0,1,0,1,0,0|1,0,0]=3 1008 B7R1.7 FCCNC1CC1 27bdd0e03327b3d3ab47daae837284af [0,1,0,1,0,0|2,0,0]=4 1009 B7R1.7 FCCOC1CC1 d382ce3d6b1520a06dd26d6fc11c28ce [0,1,0,1,0,0|2,0,0]=4 1010 B7R1.7 FCNCC1CC1 1cae99c489890b890b87d2c58a6eb8c9 [0,1,0,1,0,0|2,0,0]=4 1011 B7R1.7 FCOCC1CC1 ca8fac99f1600978aadc627ea28dfc26 [0,1,0,1,0,0|1,1,0]=4 1012 B7R1.7 ICCNC1CC1 54cb85ddbccb623caf83beca2f313e76 [0,1,0,1,0,0|2,0,0]=4 1013 B7R1.7 OCCNC1CC1 705f78fe268d00319295f25130b39077 [0,1,0,1,0,0|2,0,0]=4 1014 B7R1.7 OCNCC1CC1 9cf22817bea92a2e517d0f5b781259f3 [0,1,0,1,0,0|2,0,0]=4 1015 B7R1.7 SCCNC1CC1 c809924f8210012f5574eb4a4f7021ba [0,1,0,1,0,0|2,0,0]=4 1016 B7R1.7 SCCOC1CC1 b7a85648a7aee83a47e4374e76fa4b99 [0,1,0,1,0,0|2,0,0]=4