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|2,0,1]=4 7 B4R0.2 N#CNC=O 59e0103a779e5b0a13a338a320bd9101 [1,1,0,0,0,0|1,0,1]=4 8 B6R0.1 C#CCN(C)C=O ddfa5ba776054c2a7c5ce6a0cde7a3ee [0,2,0,0,0,0|2,0,0]=4 9 B6R0.1 C=C(C=O)OCC 64c18fcc04a22b045ebc35a9eb4d4363 [0,2,0,0,0,0|1,0,1]=4 10 B6R0.1 C=C(C=O)OCF d1643e67cfe1838c4e32b694bc3648e2 [0,2,0,0,0,0|1,0,1]=4 11 B6R0.1 C=CCN(C)C=O 45f12923080415e1dfc85b1fcae28d16 [0,2,0,0,0,0|2,0,0]=4 12 B6R0.1 CC(C=O)OCF 65789c25ac421199f1e20366eb603500 [0,2,0,0,0,0|1,0,1]=4 13 B6R0.1 CC(CO)NC=O 6cb3b07738b3559c75de386eaa588767 [0,2,0,0,0,0|0,1,1]=4 14 B6R0.1 CC(CS)OCF 3aa76e588b94fa8c0abffd230ad3c80a [0,2,0,0,0,0|0,0,2]=4 15 B6R0.1 CCC(=O)NC#N 73537d427a9f3c7ed521fc0320b94de6 [0,2,0,0,0,0|1,0,1]=4 16 B6R0.1 CCC(C)NC=O b39ff0b918608a651b17fb1bcfe748b2 [0,2,0,0,0,0|1,0,1]=4 17 B6R0.1 CCCN(C)C=O f55d615150194d8a2881f113e75957ad [0,2,0,0,0,0|2,0,0]=4 18 B6R0.1 CCN(C)CC=O 027065f0dd139518bb2cdfff7d6533ae [0,2,0,0,0,0|2,0,0]=4 19 B6R0.1 CCN(C)CCS 1ccbd256497b3a342f1d9474525ca49a [0,2,0,0,0,0|2,0,0]=4 20 B6R0.1 CCN(C)CSC 613c63b39ee46a6bdda90b076e70e35a [0,2,0,0,0,0|2,0,0]=4 21 B6R0.1 CCOC(C)C=O 4021b7076259f80e1751543881198165 [0,2,0,0,0,0|1,0,1]=4 22 B6R0.1 CCOC(C)CS eb3404d1a98d8fb6f364ecf6e98ac96e [0,2,0,0,0,0|0,0,2]=4 23 B6R0.1 CCO[C@H](C)CS 7d1ac13ead965fd5112ee05598239ca1 [0,2,0,0,0,0|0,0,2]=4 24 B6R0.1 CC[C@@H](C)NC=O b2daaabeaf297395c554f58ded1a06ac [0,2,0,0,0,0|1,0,1]=4 25 B6R0.1 CC[C@H](C)NC=O de5ee03736ab09026768085a3122631f [0,2,0,0,0,0|1,0,1]=4 26 B6R0.1 CN(C=O)CC#N a7a395c841bf1c778a7b432155652f5f [0,2,0,0,0,0|2,0,0]=4 27 B6R0.1 CN(C=O)CCF 566a91d7f905563b8be9527ff042caf1 [0,2,0,0,0,0|2,0,0]=4 28 B6R0.1 CN(C=O)CCO dd7ac64299075a3391875b374e6c88cd [0,2,0,0,0,0|1,1,0]=4 29 B6R0.1 C[C@@H](CO)NC=O ec3f1323844b2b166f286f44082a1734 [0,2,0,0,0,0|0,1,1]=4 30 B6R0.1 C[C@H](CO)NC=O 3cbedcbe22de2e07327f619fdeffeaec [0,2,0,0,0,0|0,1,1]=4 31 B6R0.1 C[C@H](CS)OCF db899319a56836cd7d73603a0da16225 [0,2,0,0,0,0|0,0,2]=4 32 B6R0.1 N#CNC(=O)CF 68c7bbf575858d00ec753fd2b8317ca7 [0,2,0,0,0,0|1,0,1]=4 33 B6R0.1 N#CNC(=O)CO 236f04c3f08af6bcd8e67780d27f25bf [0,2,0,0,0,0|0,1,1]=4 34 B6R0.3 CC(C)N(C)C=O ed819c6af0078a1de69f07f4fd8d9ee5 [0,2,0,0,0,0|2,0,0]=4 35 B6R0.3 CCN(C)C(=O)C ad9227383f4996d412a5ced11e9c5417 [0,2,0,0,0,0|1,0,0]=3 36 B6R0.4 C#CCNC(=O)C 4ea0ed9dc6fd35fd030056afb0c47f4f [0,2,0,0,0,0|1,0,0]=3 37 B6R0.4 C=C(C)CNC#N d9b89b4c8025f48614cd8e95d5f70606 [0,2,0,0,0,0|2,0,0]=4 38 B6R0.4 C=C(C)CNC=O 0d0687e6ed98c39501c4c0fd9c1a287e [0,2,0,0,0,0|1,1,0]=4 39 B6R0.4 C=C(C)CNCC ebc18c3c665b43c324efb5852b5613cc [0,2,0,0,0,0|2,0,0]=4 40 B6R0.4 C=C(C)CNCF 1e221a22fcfa2f630690e0e1cc1b686c [0,2,0,0,0,0|2,0,0]=4 41 B6R0.4 C=C(C)CNCO aed1efb8ed6b634f66b125805c14e3c3 [0,2,0,0,0,0|1,1,0]=4 42 B6R0.4 C=C(C)COCC 6d74b37620be58d1bea5b1911ab2feb1 [0,2,0,0,0,0|1,1,0]=4 43 B6R0.4 C=C(C)COCF cb102a3037e49fdd230dfa87a9a6cd9a [0,2,0,0,0,0|1,1,0]=4 44 B6R0.4 CC(=O)CNC=O 799a78176c711722415c8986d9015770 [0,2,0,0,0,0|0,1,0]=3 45 B6R0.4 CC(=O)CNCF b7881e88fb8b8e6cf10e5a033e11f317 [0,2,0,0,0,0|1,0,0]=3 46 B6R0.4 CC(=O)CNCO 088e087d20fb510bb88def586900e34f [0,2,0,0,0,0|0,1,0]=3 47 B6R0.4 CC(=O)COCF dfbfbe0c756744937aaeae603856ac60 [0,2,0,0,0,0|0,1,0]=3 48 B6R0.4 CC(=O)NCC#N 06834e3e3e893456bdb75cd1758cd048 [0,2,0,0,0,0|1,0,0]=3 49 B6R0.4 CC(=O)NCCBr a50b84b8e00a5eea33926a7cde86e5c2 [0,2,0,0,0,0|1,0,0]=3 50 B6R0.4 CC(=O)NCCF 40474d3cc8ff0aef7c3ef76344b9eebb [0,2,0,0,0,0|1,0,0]=3 51 B6R0.4 CC(=O)NCCI baf3590450994f173452759880fb646a [0,2,0,0,0,0|1,0,0]=3 52 B6R0.4 CC(=O)NCCO c7b03ecf194f0f03f4d08fd319920ef5 [0,2,0,0,0,0|0,1,0]=3 53 B6R0.4 CC(=O)NCCS 3cdd66626928bc1a9bac11e682b344a1 [0,2,0,0,0,0|0,0,0]=2 54 B6R0.4 CC(C)NCCS cdea7056049e21082f31ef0c239da6f7 [0,2,0,0,0,0|1,0,1]=4 55 B6R0.4 CC(C)OCCS 9f8fcde0a26cdc1f53f7ed80bebd9fd6 [0,2,0,0,0,0|1,0,1]=4 56 B6R0.4 CCCNC(=O)C 2a730f252c249036b45b0d2d9cd73ca4 [0,2,0,0,0,0|1,0,0]=3 57 B6R0.4 CCNCC(=O)C f174d94c45d739e3b909d0bcb7f774b6 [0,2,0,0,0,0|1,0,0]=3 58 B6R0.4 CCNCC(=O)N 9af72e08b410c4df60bd96241a267974 [0,2,0,0,0,0|2,0,0]=4 59 B6R0.4 CCNCC(=O)O 4ff54ca579c6d0dc364629f4b9806db8 [0,2,0,0,0,0|2,0,0]=4 60 B6R0.4 CCOCC(=O)C 810b545b1a0c4af358d406c93928b4de [0,2,0,0,0,0|0,1,0]=3 61 B6R0.4 CCOCC(=O)N 8c3995d7bbe4bbb5793da2590cf6473e [0,2,0,0,0,0|1,1,0]=4 62 B6R0.4 CCOCC(=O)O ebe16b0612391447f19756491b2bd7a3 [0,2,0,0,0,0|1,1,0]=4 63 B6R0.4 CSCOC(C)C df2443d5e1bdbc2f3ac237524c1a32f1 [0,2,0,0,0,0|1,0,1]=4 64 B6R0.4 N#CNCC(=O)N 442d746faa83502c9ff2df116c7418f8 [0,2,0,0,0,0|2,0,0]=4 65 B6R0.4 N#CNCC(=O)O 43756775e2c27a3310cd33c2c2160b96 [0,2,0,0,0,0|2,0,0]=4 66 B6R0.4 NC(=O)CNC=O 69aa9557cbc9861258c5d0da5bd61a6e [0,2,0,0,0,0|1,1,0]=4 67 B6R0.4 NC(=O)CNCF 1d1f788bdfbf1bf0db2a27d18231d6bd [0,2,0,0,0,0|2,0,0]=4 68 B6R0.4 NC(=O)CNCO d301de02518fc5358c97c5b15c4b68ec [0,2,0,0,0,0|1,1,0]=4 69 B6R0.4 NC(=O)COCF 5fb009cd2e813c9f1f9e35766b0ec8cb [0,2,0,0,0,0|1,1,0]=4 70 B6R0.4 O=C(O)CNCF d8e91f69db1ad3140a3502718cd0d10f [0,2,0,0,0,0|2,0,0]=4 71 B6R0.4 O=C(O)CNCO 03950869097643d435459ad5a0985e95 [0,2,0,0,0,0|1,1,0]=4 72 B6R0.4 O=C(O)COCF 7c32fa44d83e7ce6c73842137b12fe20 [0,2,0,0,0,0|1,1,0]=4 73 B6R1.6 O=CN1CCC1 68439d1e88ecdc5685aec9c6c23ee2b6 [0,1,0,1,0,0|2,0,0]=4