0 B5R0.1 CC(=O)NC#N 96e7b4266c4f58edb3348aa5d4644bfa [0,1,0,0,0,0|1,0,1]=3 1 B5R0.1 CC(C)OCF fea4e57e7bb4fa505ef4ea18bd2ede99 [0,1,0,0,0,0|2,0,1]=4 2 B5R0.1 CCOC(C)C e40579e838af0384b34ea3d488054b89 [0,1,0,0,0,0|2,0,1]=4 3 B5R0.3 CCN(C)C=O 60ddb02da2ac3e0bbf46f02c328ae40d [0,1,0,0,0,0|2,0,0]=3 4 B5R0.3 CCN(C)CC ab5b03184b17818ff0d4295949ca4956 [0,1,0,0,0,0|3,0,0]=4 5 B5R0.3 CCN(C)CF f1609b6f0307b235e83ada8bb1f6ec70 [0,1,0,0,0,0|3,0,0]=4 6 B5R0.3 CCN(C)CO 992ae963459eb3513b2ca42228fd2ef7 [0,1,0,0,0,0|2,0,0]=3 7 B4R0.2 N#CNC=O 59e0103a779e5b0a13a338a320bd9101 [1,1,0,0,0,0|1,0,1]=4 8 B4R0.2 N#CNCO 96663baf465b53940bc16189393ec3f3 [1,1,0,0,0,0|1,0,1]=4 9 B6R0.1 C#CC(C)NCO 3c70e727e0061dbce9cbda47181daecb [0,2,0,0,0,0|1,0,1]=4 10 B6R0.1 C#CCN(C)C=O ddfa5ba776054c2a7c5ce6a0cde7a3ee [0,2,0,0,0,0|2,0,0]=4 11 B6R0.1 C#CCN(C)CO 233801036d1556dadc2fa829e2eef3b2 [0,2,0,0,0,0|2,0,0]=4 12 B6R0.1 C#C[C@@H](C)NCO 126db25e0e4cf6691fb1b82389d3a95e [0,2,0,0,0,0|1,0,1]=4 13 B6R0.1 C#C[C@H](C)NCO debd11bbb9ca9c2de8c9f91e833e2b10 [0,2,0,0,0,0|1,0,1]=4 14 B6R0.1 C=C(C=O)OCC 64c18fcc04a22b045ebc35a9eb4d4363 [0,2,0,0,0,0|1,0,1]=4 15 B6R0.1 C=C(C=O)OCF d1643e67cfe1838c4e32b694bc3648e2 [0,2,0,0,0,0|1,0,1]=4 16 B6R0.1 C=CC(C)NCO b239e076cc6fac99d85355a8537a48d2 [0,2,0,0,0,0|1,0,1]=4 17 B6R0.1 C=CCN(C)C=O 45f12923080415e1dfc85b1fcae28d16 [0,2,0,0,0,0|2,0,0]=4 18 B6R0.1 C=CCN(C)CO e638b434bf874996eb81f2689695f38f [0,2,0,0,0,0|2,0,0]=4 19 B6R0.1 CC(C#N)NCO b7d0900ad4a8bef1fe42d0e02db02103 [0,2,0,0,0,0|1,0,1]=4 20 B6R0.1 CC(C=O)OCF 65789c25ac421199f1e20366eb603500 [0,2,0,0,0,0|1,0,1]=4 21 B6R0.1 CC(CO)NC#N b6bfa3976d2a6a9619606ed55bd1d96b [0,2,0,0,0,0|1,0,1]=4 22 B6R0.1 CC(CO)NC=O 6cb3b07738b3559c75de386eaa588767 [0,2,0,0,0,0|0,0,1]=3 23 B6R0.1 CC(CO)NCF ab7f612930dc9a706824818dda371d27 [0,2,0,0,0,0|1,0,1]=4 24 B6R0.1 CC(CO)NCO 220515de56991eed80ebf3de2b03eb11 [0,2,0,0,0,0|0,0,2]=4 25 B6R0.1 CCC(=O)NC#N 73537d427a9f3c7ed521fc0320b94de6 [0,2,0,0,0,0|1,0,1]=4 26 B6R0.1 CCC(C)NC=O b39ff0b918608a651b17fb1bcfe748b2 [0,2,0,0,0,0|1,0,1]=4 27 B6R0.1 CCC(C)NCO 2f150bbe96920869e15d5d5aa816b484 [0,2,0,0,0,0|1,0,1]=4 28 B6R0.1 CCCN(C)C=O f55d615150194d8a2881f113e75957ad [0,2,0,0,0,0|2,0,0]=4 29 B6R0.1 CCCN(C)CO fa8c399923bf908abe4d1198e252c43d [0,2,0,0,0,0|2,0,0]=4 30 B6R0.1 CCN(C)CC=O 027065f0dd139518bb2cdfff7d6533ae [0,2,0,0,0,0|2,0,0]=4 31 B6R0.1 CCN(C)CCO d3ce6c3bd65198b22911f821b13f3685 [0,2,0,0,0,0|2,0,0]=4 32 B6R0.1 CCN(C)COC 2dba1e0fec030895fe26248c793df52e [0,2,0,0,0,0|2,0,0]=4 33 B6R0.1 CCNC(C)CO 31c32677d35319c7bce72f49aa59533d [0,2,0,0,0,0|1,0,1]=4 34 B6R0.1 CCN[C@@H](C)CO 1b5cec79590e2129f58d3514073a1390 [0,2,0,0,0,0|1,0,1]=4 35 B6R0.1 CCN[C@H](C)CO 4334eb4497c625ddabbfceeac7d82066 [0,2,0,0,0,0|1,0,1]=4 36 B6R0.1 CCOC(C)C=O 4021b7076259f80e1751543881198165 [0,2,0,0,0,0|1,0,1]=4 37 B6R0.1 CC[C@@H](C)NC=O b2daaabeaf297395c554f58ded1a06ac [0,2,0,0,0,0|1,0,1]=4 38 B6R0.1 CC[C@@H](C)NCO ac0974a6f9b0bb6d16f90be7439490a9 [0,2,0,0,0,0|1,0,1]=4 39 B6R0.1 CC[C@H](C)NC=O de5ee03736ab09026768085a3122631f [0,2,0,0,0,0|1,0,1]=4 40 B6R0.1 CC[C@H](C)NCO 3a0d2629be7074b261ab0759e7061769 [0,2,0,0,0,0|1,0,1]=4 41 B6R0.1 CN(C=O)CC#N a7a395c841bf1c778a7b432155652f5f [0,2,0,0,0,0|2,0,0]=4 42 B6R0.1 CN(C=O)CCF 566a91d7f905563b8be9527ff042caf1 [0,2,0,0,0,0|2,0,0]=4 43 B6R0.1 CN(C=O)CCO dd7ac64299075a3391875b374e6c88cd [0,2,0,0,0,0|1,0,0]=3 44 B6R0.1 CN(CF)CCO 45c87519ddef71b395da19084a38f5b6 [0,2,0,0,0,0|2,0,0]=4 45 B6R0.1 CN(CO)CC#N 980602725576f2e824d0e865b4b20c78 [0,2,0,0,0,0|2,0,0]=4 46 B6R0.1 CN(CO)CCF e5dd1ecfdd1f28e155abf2012a360c21 [0,2,0,0,0,0|2,0,0]=4 47 B6R0.1 CN(CO)CCO 54f662b94257417f82a22aa2c84d65c3 [0,2,0,0,0,0|1,0,1]=4 48 B6R0.1 C[C@@H](CO)NC#N 139f5cc18c10fce938a3acd4b6e91304 [0,2,0,0,0,0|1,0,1]=4 49 B6R0.1 C[C@@H](CO)NC=O ec3f1323844b2b166f286f44082a1734 [0,2,0,0,0,0|0,0,1]=3 50 B6R0.1 C[C@@H](CO)NCF 2b92b0d94fc310efd060ea85fc1ec030 [0,2,0,0,0,0|1,0,1]=4 51 B6R0.1 C[C@@H](CO)NCO f2447992c21252c0f96361e913fb5f29 [0,2,0,0,0,0|0,0,2]=4 52 B6R0.1 C[C@H](CO)NC#N 169e9f99802281ff5010262eba8da425 [0,2,0,0,0,0|1,0,1]=4 53 B6R0.1 C[C@H](CO)NC=O 3cbedcbe22de2e07327f619fdeffeaec [0,2,0,0,0,0|0,0,1]=3 54 B6R0.1 C[C@H](CO)NCF 769b646e43e30d6b70ca628125c680bc [0,2,0,0,0,0|1,0,1]=4 55 B6R0.1 C[C@H](CO)NCO 8d1246dd802e302de647e53829f5ca23 [0,2,0,0,0,0|0,0,2]=4 56 B6R0.1 N#CNC(=O)CF 68c7bbf575858d00ec753fd2b8317ca7 [0,2,0,0,0,0|1,0,1]=4 57 B6R0.1 N#CNC(=O)CO 236f04c3f08af6bcd8e67780d27f25bf [0,2,0,0,0,0|0,0,1]=3 58 B6R0.3 CC(C)N(C)C=O ed819c6af0078a1de69f07f4fd8d9ee5 [0,2,0,0,0,0|2,0,0]=4 59 B6R0.3 CC(C)N(C)CO 68aaa92996932618c2ea955d854bb5c7 [0,2,0,0,0,0|1,0,1]=4 60 B6R0.3 CCN(C)C(=O)C ad9227383f4996d412a5ced11e9c5417 [0,2,0,0,0,0|1,0,0]=3 61 B6R0.4 C#CCNC(=O)C 4ea0ed9dc6fd35fd030056afb0c47f4f [0,2,0,0,0,0|1,0,0]=3 62 B6R0.4 C=C(Br)CNCO adc279aef6f40140095a017583e56582 [0,2,0,0,0,0|1,0,1]=4 63 B6R0.4 C=C(Br)COCC 4e277d2c9c73644afe7a0bce57cdf0b5 [0,2,0,0,0,0|1,0,1]=4 64 B6R0.4 C=C(Br)COCF 692f2becec52dcdf557b19f93fe68748 [0,2,0,0,0,0|1,0,1]=4 65 B6R0.4 C=C(C)CNC#N d9b89b4c8025f48614cd8e95d5f70606 [0,2,0,0,0,0|2,0,0]=4 66 B6R0.4 C=C(C)CNC=O 0d0687e6ed98c39501c4c0fd9c1a287e [0,2,0,0,0,0|1,0,1]=4 67 B6R0.4 C=C(C)CNCC ebc18c3c665b43c324efb5852b5613cc [0,2,0,0,0,0|2,0,0]=4 68 B6R0.4 C=C(C)CNCF 1e221a22fcfa2f630690e0e1cc1b686c [0,2,0,0,0,0|2,0,0]=4 69 B6R0.4 C=C(C)CNCO aed1efb8ed6b634f66b125805c14e3c3 [0,2,0,0,0,0|1,0,0]=3 70 B6R0.4 C=C(C)COCC 6d74b37620be58d1bea5b1911ab2feb1 [0,2,0,0,0,0|1,0,0]=3 71 B6R0.4 C=C(C)COCF cb102a3037e49fdd230dfa87a9a6cd9a [0,2,0,0,0,0|1,0,0]=3 72 B6R0.4 C=C(Cl)COCC 7e83f9548d27b7a69b77fbea42966073 [0,2,0,0,0,0|1,0,1]=4 73 B6R0.4 C=C(Cl)COCF ca79da42122b4115d17b6448109deb3c [0,2,0,0,0,0|1,0,1]=4 74 B6R0.4 C=C(F)COCC 1657b1ef40f20a415ed1946b6e445fbb [0,2,0,0,0,0|1,0,1]=4 75 B6R0.4 C=C(I)COCC 91286c7e570d24c12cb1f7709ecbaf14 [0,2,0,0,0,0|1,0,1]=4 76 B6R0.4 C=C(I)COCF 7e74b05c12bc279148db4a6a8dd56e90 [0,2,0,0,0,0|1,0,1]=4 77 B6R0.4 CC(=O)CNC=O 799a78176c711722415c8986d9015770 [0,2,0,0,0,0|0,0,1]=3 78 B6R0.4 CC(=O)CNCF b7881e88fb8b8e6cf10e5a033e11f317 [0,2,0,0,0,0|1,0,0]=3 79 B6R0.4 CC(=O)CNCO 088e087d20fb510bb88def586900e34f [0,2,0,0,0,0|0,0,0]=2 80 B6R0.4 CC(=O)COCF dfbfbe0c756744937aaeae603856ac60 [0,2,0,0,0,0|0,0,0]=2 81 B6R0.4 CC(=O)NCC#N 06834e3e3e893456bdb75cd1758cd048 [0,2,0,0,0,0|1,0,0]=3 82 B6R0.4 CC(=O)NCCBr a50b84b8e00a5eea33926a7cde86e5c2 [0,2,0,0,0,0|1,0,0]=3 83 B6R0.4 CC(=O)NCCF 40474d3cc8ff0aef7c3ef76344b9eebb [0,2,0,0,0,0|1,0,0]=3 84 B6R0.4 CC(=O)NCCI baf3590450994f173452759880fb646a [0,2,0,0,0,0|1,0,0]=3 85 B6R0.4 CC(=O)NCCO c7b03ecf194f0f03f4d08fd319920ef5 [0,2,0,0,0,0|0,0,0]=2 86 B6R0.4 CC(=O)NCCS 3cdd66626928bc1a9bac11e682b344a1 [0,2,0,0,0,0|0,1,0]=3 87 B6R0.4 CC(C)CNCO c3b5fde83cdd81c2f0ea167064fd2c5c [0,2,0,0,0,0|1,0,1]=4 88 B6R0.4 CC(C)COCF b089fa536e65fca20df885ea5dacd9f2 [0,2,0,0,0,0|1,0,1]=4 89 B6R0.4 CC(C)NCCO 3b0ca7166ca7093e2a2ed1b091b6c5af [0,2,0,0,0,0|1,0,1]=4 90 B6R0.4 CC(F)COCF 184378aa5cda319f35eff5a374bd7b36 [0,2,0,0,0,0|1,0,1]=4 91 B6R0.4 CC(O)CNCO e374449d449cacbe0a46d6d64f7dfbfc [0,2,0,0,0,0|0,0,2]=4 92 B6R0.4 CC(S)COCF f0912ffde29b0e269706eb1406d36aad [0,2,0,0,0,0|0,1,1]=4 93 B6R0.4 CCCNC(=O)C 2a730f252c249036b45b0d2d9cd73ca4 [0,2,0,0,0,0|1,0,0]=3 94 B6R0.4 CCNCC(=O)C f174d94c45d739e3b909d0bcb7f774b6 [0,2,0,0,0,0|1,0,0]=3 95 B6R0.4 CCNCC(=O)N 9af72e08b410c4df60bd96241a267974 [0,2,0,0,0,0|2,0,0]=4 96 B6R0.4 CCNCC(=O)O 4ff54ca579c6d0dc364629f4b9806db8 [0,2,0,0,0,0|2,0,0]=4 97 B6R0.4 CCOCC(=O)C 810b545b1a0c4af358d406c93928b4de [0,2,0,0,0,0|0,0,0]=2 98 B6R0.4 CCOCC(=O)N 8c3995d7bbe4bbb5793da2590cf6473e [0,2,0,0,0,0|1,0,0]=3 99 B6R0.4 CCOCC(=O)O ebe16b0612391447f19756491b2bd7a3 [0,2,0,0,0,0|1,0,0]=3 100 B6R0.4 CCOCC(=S)N 193178db836031b13efc39b5ff902efa [0,2,0,0,0,0|1,1,0]=4 101 B6R0.4 CCOCC(C)C 2ccacce0745bb2fe2e67c6f95de49a4c [0,2,0,0,0,0|1,0,1]=4 102 B6R0.4 CCOCC(C)F 44ebcc9497b122666f7d5bc3ab3ef961 [0,2,0,0,0,0|1,0,1]=4 103 B6R0.4 CCOCC(C)S 1b6e2c538b0c5040f1c381953bd73f14 [0,2,0,0,0,0|0,1,1]=4 104 B6R0.4 CCOCS(=O)O 631a28bb34068ba6343c83c466f36b33 [0,2,0,0,0,0|2,0,0]=4 105 B6R0.4 CCOC[C@@H](C)F 2d70ac2d3ad9d2770f50309e83cd9521 [0,2,0,0,0,0|1,0,1]=4 106 B6R0.4 CCOC[C@H](C)F b1411946299fa054261b7f4dedb203a5 [0,2,0,0,0,0|1,0,1]=4 107 B6R0.4 COCOC(C)C 2db698e0a27d38f57903461e5b8bf21f [0,2,0,0,0,0|1,0,1]=4 108 B6R0.4 C[C@@H](F)COCF 2fceb23c1851fd728d248a746424d5d7 [0,2,0,0,0,0|1,0,1]=4 109 B6R0.4 C[C@@H](O)CNCO 41205defeb3accd5b70255f13cc7fa6b [0,2,0,0,0,0|0,0,2]=4 110 B6R0.4 C[C@H](F)COCF e3a81502e05212c96edfcd9edba6a43c [0,2,0,0,0,0|1,0,1]=4 111 B6R0.4 C[C@H](O)CNCO 9710122b7591011cacd5f47cf98b8818 [0,2,0,0,0,0|0,0,2]=4 112 B6R0.4 N#CNCC(=O)N 442d746faa83502c9ff2df116c7418f8 [0,2,0,0,0,0|2,0,0]=4 113 B6R0.4 N#CNCC(=O)O 43756775e2c27a3310cd33c2c2160b96 [0,2,0,0,0,0|2,0,0]=4 114 B6R0.4 NC(=O)CNC=O 69aa9557cbc9861258c5d0da5bd61a6e [0,2,0,0,0,0|1,0,1]=4 115 B6R0.4 NC(=O)CNCF 1d1f788bdfbf1bf0db2a27d18231d6bd [0,2,0,0,0,0|2,0,0]=4 116 B6R0.4 NC(=O)CNCO d301de02518fc5358c97c5b15c4b68ec [0,2,0,0,0,0|1,0,0]=3 117 B6R0.4 NC(=O)COCF 5fb009cd2e813c9f1f9e35766b0ec8cb [0,2,0,0,0,0|1,0,0]=3 118 B6R0.4 NC(=S)COCF 656cb42c290d81f49517967a9160e9b8 [0,2,0,0,0,0|1,1,0]=4 119 B6R0.4 O=C(O)CNCF d8e91f69db1ad3140a3502718cd0d10f [0,2,0,0,0,0|2,0,0]=4 120 B6R0.4 O=C(O)CNCO 03950869097643d435459ad5a0985e95 [0,2,0,0,0,0|1,0,0]=3 121 B6R0.4 O=C(O)COCF 7c32fa44d83e7ce6c73842137b12fe20 [0,2,0,0,0,0|1,0,0]=3 122 B6R0.4 O=S(O)COCF bc49b5a9355facf362625f551c5693d0 [0,2,0,0,0,0|2,0,0]=4 123 B6R0.5 CC(C)(C)NCO 98c610d421d69102d9fd33b99f13912a [0,2,0,0,0,0|1,0,1]=4 124 B6R1.3 OCNC1CC1 101960c0f522708da07270474b234f44 [0,1,0,1,0,0|1,0,1]=4 125 B6R1.6 O=CN1CCC1 68439d1e88ecdc5685aec9c6c23ee2b6 [0,1,0,1,0,0|2,0,0]=4 126 B6R1.6 OCN1CCC1 f3cac714768fc30717bf6da5686dc581 [0,1,0,1,0,0|2,0,0]=4