0 B5R0.1 CC(=O)NC#N 96e7b4266c4f58edb3348aa5d4644bfa [0,1,0,0,0,0|1,0,0]=2 1 B5R0.1 CC(C)NC#N ca654f29c9678ccae3e6761ddb91602e [0,1,0,0,0,0|2,0,1]=4 2 B5R0.3 CCN(C)C=O 60ddb02da2ac3e0bbf46f02c328ae40d [0,1,0,0,0,0|3,0,0]=4 3 B5R0.3 CCN(C)CO 992ae963459eb3513b2ca42228fd2ef7 [0,1,0,0,0,0|3,0,0]=4 4 B4R0.2 CCNC#N d0f03dd102d2d8b7abe705087df6ba79 [1,1,0,0,0,0|1,0,1]=4 5 B4R0.2 N#CNC=O 59e0103a779e5b0a13a338a320bd9101 [1,1,0,0,0,0|1,0,0]=3 6 B4R0.2 N#CNCO 96663baf465b53940bc16189393ec3f3 [1,1,0,0,0,0|1,0,1]=4 7 B6R0.1 C#CC(=O)NC#N 4353fbd90a4bf5a5d30cd2845809fc49 [0,2,0,0,0,0|1,0,1]=4 8 B6R0.1 C#CC(C)NCO 3c70e727e0061dbce9cbda47181daecb [0,2,0,0,0,0|1,0,1]=4 9 B6R0.1 C#C[C@@H](C)NCO 126db25e0e4cf6691fb1b82389d3a95e [0,2,0,0,0,0|1,0,1]=4 10 B6R0.1 C#C[C@H](C)NCO debd11bbb9ca9c2de8c9f91e833e2b10 [0,2,0,0,0,0|1,0,1]=4 11 B6R0.1 C=CC(=O)NC#N 50ba705a66c9756487ecf5ee06f1b175 [0,2,0,0,0,0|1,0,1]=4 12 B6R0.1 C=CC(C)NCO b239e076cc6fac99d85355a8537a48d2 [0,2,0,0,0,0|1,0,1]=4 13 B6R0.1 CC(C#N)NCO b7d0900ad4a8bef1fe42d0e02db02103 [0,2,0,0,0,0|1,0,1]=4 14 B6R0.1 CC(C=O)NC#N 4334a96823d7b333d7c55841b70479fe [0,2,0,0,0,0|1,0,1]=4 15 B6R0.1 CC(CO)NC=O 6cb3b07738b3559c75de386eaa588767 [0,2,0,0,0,0|1,0,1]=4 16 B6R0.1 CC(CO)NCO 220515de56991eed80ebf3de2b03eb11 [0,2,0,0,0,0|0,0,2]=4 17 B6R0.1 CCC(=O)NC#N 73537d427a9f3c7ed521fc0320b94de6 [0,2,0,0,0,0|1,0,0]=3 18 B6R0.1 CCC(C)NCO 2f150bbe96920869e15d5d5aa816b484 [0,2,0,0,0,0|1,0,1]=4 19 B6R0.1 CC[C@@H](C)NCO ac0974a6f9b0bb6d16f90be7439490a9 [0,2,0,0,0,0|1,0,1]=4 20 B6R0.1 CC[C@H](C)NCO 3a0d2629be7074b261ab0759e7061769 [0,2,0,0,0,0|1,0,1]=4 21 B6R0.1 CN(C=O)CCO dd7ac64299075a3391875b374e6c88cd [0,2,0,0,0,0|2,0,0]=4 22 B6R0.1 C[C@@H](CO)NC=O ec3f1323844b2b166f286f44082a1734 [0,2,0,0,0,0|1,0,1]=4 23 B6R0.1 C[C@@H](CO)NCO f2447992c21252c0f96361e913fb5f29 [0,2,0,0,0,0|0,0,2]=4 24 B6R0.1 C[C@H](C=O)NC#N 561b679827239db41a575e4f622826ae [0,2,0,0,0,0|1,0,1]=4 25 B6R0.1 C[C@H](CO)NC=O 3cbedcbe22de2e07327f619fdeffeaec [0,2,0,0,0,0|1,0,1]=4 26 B6R0.1 C[C@H](CO)NCO 8d1246dd802e302de647e53829f5ca23 [0,2,0,0,0,0|0,0,2]=4 27 B6R0.1 N#CNC(=O)C=O 1f5e87ac61370d0fee6235b020510a93 [0,2,0,0,0,0|1,0,1]=4 28 B6R0.1 N#CNC(=O)CF 68c7bbf575858d00ec753fd2b8317ca7 [0,2,0,0,0,0|1,0,0]=3 29 B6R0.1 N#CNC(=O)CO 236f04c3f08af6bcd8e67780d27f25bf [0,2,0,0,0,0|1,0,0]=3 30 B6R0.3 CC(C)N(C)CO 68aaa92996932618c2ea955d854bb5c7 [0,2,0,0,0,0|1,0,1]=4 31 B6R0.3 CCN(C)C(=O)C ad9227383f4996d412a5ced11e9c5417 [0,2,0,0,0,0|1,0,0]=3 32 B6R0.4 C#CCNC(=O)C 4ea0ed9dc6fd35fd030056afb0c47f4f [0,2,0,0,0,0|1,0,0]=3 33 B6R0.4 C=C(Br)CNCO adc279aef6f40140095a017583e56582 [0,2,0,0,0,0|1,0,1]=4 34 B6R0.4 C=C(C)CNC#N d9b89b4c8025f48614cd8e95d5f70606 [0,2,0,0,0,0|2,0,0]=4 35 B6R0.4 C=C(C)CNC=O 0d0687e6ed98c39501c4c0fd9c1a287e [0,2,0,0,0,0|1,0,1]=4 36 B6R0.4 C=C(C)CNCC ebc18c3c665b43c324efb5852b5613cc [0,2,0,0,0,0|2,0,0]=4 37 B6R0.4 C=C(C)CNCF 1e221a22fcfa2f630690e0e1cc1b686c [0,2,0,0,0,0|2,0,0]=4 38 B6R0.4 C=C(C)CNCO aed1efb8ed6b634f66b125805c14e3c3 [0,2,0,0,0,0|1,0,0]=3 39 B6R0.4 C=C(C)COCC 6d74b37620be58d1bea5b1911ab2feb1 [0,2,0,0,0,0|2,0,0]=4 40 B6R0.4 C=C(C)COCF cb102a3037e49fdd230dfa87a9a6cd9a [0,2,0,0,0,0|2,0,0]=4 41 B6R0.4 CC(=O)CNC=O 799a78176c711722415c8986d9015770 [0,2,0,0,0,0|0,0,1]=3 42 B6R0.4 CC(=O)CNCF b7881e88fb8b8e6cf10e5a033e11f317 [0,2,0,0,0,0|1,0,0]=3 43 B6R0.4 CC(=O)CNCO 088e087d20fb510bb88def586900e34f [0,2,0,0,0,0|0,0,0]=2 44 B6R0.4 CC(=O)COCF dfbfbe0c756744937aaeae603856ac60 [0,2,0,0,0,0|1,0,0]=3 45 B6R0.4 CC(=O)NCC#N 06834e3e3e893456bdb75cd1758cd048 [0,2,0,0,0,0|1,0,0]=3 46 B6R0.4 CC(=O)NCCBr a50b84b8e00a5eea33926a7cde86e5c2 [0,2,0,0,0,0|1,0,0]=3 47 B6R0.4 CC(=O)NCCF 40474d3cc8ff0aef7c3ef76344b9eebb [0,2,0,0,0,0|1,0,0]=3 48 B6R0.4 CC(=O)NCCI baf3590450994f173452759880fb646a [0,2,0,0,0,0|1,0,0]=3 49 B6R0.4 CC(=O)NCCO c7b03ecf194f0f03f4d08fd319920ef5 [0,2,0,0,0,0|0,0,0]=2 50 B6R0.4 CC(=O)NCCS 3cdd66626928bc1a9bac11e682b344a1 [0,2,0,0,0,0|0,1,0]=3 51 B6R0.4 CC(C)CNCO c3b5fde83cdd81c2f0ea167064fd2c5c [0,2,0,0,0,0|1,0,1]=4 52 B6R0.4 CC(C)NCCO 3b0ca7166ca7093e2a2ed1b091b6c5af [0,2,0,0,0,0|1,0,1]=4 53 B6R0.4 CC(O)CNCO e374449d449cacbe0a46d6d64f7dfbfc [0,2,0,0,0,0|0,0,2]=4 54 B6R0.4 CCCNC(=O)C 2a730f252c249036b45b0d2d9cd73ca4 [0,2,0,0,0,0|1,0,0]=3 55 B6R0.4 CCNCC(=O)C f174d94c45d739e3b909d0bcb7f774b6 [0,2,0,0,0,0|1,0,0]=3 56 B6R0.4 CCNCC(=O)N 9af72e08b410c4df60bd96241a267974 [0,2,0,0,0,0|2,0,0]=4 57 B6R0.4 CCNCC(=O)O 4ff54ca579c6d0dc364629f4b9806db8 [0,2,0,0,0,0|2,0,0]=4 58 B6R0.4 CCOCC(=O)C 810b545b1a0c4af358d406c93928b4de [0,2,0,0,0,0|1,0,0]=3 59 B6R0.4 CCOCC(=O)N 8c3995d7bbe4bbb5793da2590cf6473e [0,2,0,0,0,0|2,0,0]=4 60 B6R0.4 CCOCC(=O)O ebe16b0612391447f19756491b2bd7a3 [0,2,0,0,0,0|2,0,0]=4 61 B6R0.4 C[C@@H](O)CNCO 41205defeb3accd5b70255f13cc7fa6b [0,2,0,0,0,0|0,0,2]=4 62 B6R0.4 C[C@H](O)CNCO 9710122b7591011cacd5f47cf98b8818 [0,2,0,0,0,0|0,0,2]=4 63 B6R0.4 N#CNCC(=O)N 442d746faa83502c9ff2df116c7418f8 [0,2,0,0,0,0|2,0,0]=4 64 B6R0.4 N#CNCC(=O)O 43756775e2c27a3310cd33c2c2160b96 [0,2,0,0,0,0|2,0,0]=4 65 B6R0.4 NC(=O)CNC=O 69aa9557cbc9861258c5d0da5bd61a6e [0,2,0,0,0,0|1,0,1]=4 66 B6R0.4 NC(=O)CNCF 1d1f788bdfbf1bf0db2a27d18231d6bd [0,2,0,0,0,0|2,0,0]=4 67 B6R0.4 NC(=O)CNCO d301de02518fc5358c97c5b15c4b68ec [0,2,0,0,0,0|1,0,0]=3 68 B6R0.4 NC(=O)COCF 5fb009cd2e813c9f1f9e35766b0ec8cb [0,2,0,0,0,0|2,0,0]=4 69 B6R0.4 O=C(O)CNCF d8e91f69db1ad3140a3502718cd0d10f [0,2,0,0,0,0|2,0,0]=4 70 B6R0.4 O=C(O)CNCO 03950869097643d435459ad5a0985e95 [0,2,0,0,0,0|1,0,0]=3 71 B6R0.4 O=C(O)COCF 7c32fa44d83e7ce6c73842137b12fe20 [0,2,0,0,0,0|2,0,0]=4 72 B6R0.5 CC(C)(C)NCO 98c610d421d69102d9fd33b99f13912a [0,2,0,0,0,0|1,0,1]=4 73 B6R1.3 OCNC1CC1 101960c0f522708da07270474b234f44 [0,1,0,1,0,0|1,0,1]=4