0  B5R0.1  CC(=O)NC#N 96e7b4266c4f58edb3348aa5d4644bfa [0,1,0,0,0,0|2,0,1]=4
1  B5R0.3  CCN(C)C=O 60ddb02da2ac3e0bbf46f02c328ae40d [0,1,0,0,0,0|3,0,0]=4
2  B5R0.3  CCN(C)CO 992ae963459eb3513b2ca42228fd2ef7 [0,1,0,0,0,0|3,0,0]=4
3  B4R0.2  N#CNC=O 59e0103a779e5b0a13a338a320bd9101 [1,1,0,0,0,0|1,0,1]=4
4  B6R0.1  C=C(C=O)OCC 64c18fcc04a22b045ebc35a9eb4d4363 [0,2,0,0,0,0|2,0,0]=4
5  B6R0.1  C=C(C=O)OCF d1643e67cfe1838c4e32b694bc3648e2 [0,2,0,0,0,0|1,1,0]=4
6  B6R0.1  CCC(=O)NC#N 73537d427a9f3c7ed521fc0320b94de6 [0,2,0,0,0,0|2,0,0]=4
7  B6R0.1  N#CNC(=O)CF 68c7bbf575858d00ec753fd2b8317ca7 [0,2,0,0,0,0|1,1,0]=4
8  B6R0.1  N#CNC(=O)CO 236f04c3f08af6bcd8e67780d27f25bf [0,2,0,0,0,0|1,0,1]=4
9  B6R0.3  CCN(C)C(=O)C ad9227383f4996d412a5ced11e9c5417 [0,2,0,0,0,0|2,0,0]=4
10  B6R0.4  C#CCNC(=O)C 4ea0ed9dc6fd35fd030056afb0c47f4f [0,2,0,0,0,0|2,0,0]=4
11  B6R0.4  CC(=O)CNC=O 799a78176c711722415c8986d9015770 [0,2,0,0,0,0|2,0,0]=4
12  B6R0.4  CC(=O)CNCF b7881e88fb8b8e6cf10e5a033e11f317 [0,2,0,0,0,0|1,1,0]=4
13  B6R0.4  CC(=O)CNCO 088e087d20fb510bb88def586900e34f [0,2,0,0,0,0|2,0,0]=4
14  B6R0.4  CC(=O)COCF dfbfbe0c756744937aaeae603856ac60 [0,2,0,0,0,0|1,1,0]=4
15  B6R0.4  CC(=O)NCC#N 06834e3e3e893456bdb75cd1758cd048 [0,2,0,0,0,0|2,0,0]=4
16  B6R0.4  CC(=O)NCCBr a50b84b8e00a5eea33926a7cde86e5c2 [0,2,0,0,0,0|1,1,0]=4
17  B6R0.4  CC(=O)NCCF 40474d3cc8ff0aef7c3ef76344b9eebb [0,2,0,0,0,0|1,1,0]=4
18  B6R0.4  CC(=O)NCCI baf3590450994f173452759880fb646a [0,2,0,0,0,0|1,1,0]=4
19  B6R0.4  CC(=O)NCCO c7b03ecf194f0f03f4d08fd319920ef5 [0,2,0,0,0,0|2,0,0]=4
20  B6R0.4  CC(=O)NCCS 3cdd66626928bc1a9bac11e682b344a1 [0,2,0,0,0,0|2,0,0]=4
21  B6R0.4  CCCNC(=O)C 2a730f252c249036b45b0d2d9cd73ca4 [0,2,0,0,0,0|2,0,0]=4
22  B6R0.4  CCNCC(=O)C f174d94c45d739e3b909d0bcb7f774b6 [0,2,0,0,0,0|2,0,0]=4
23  B6R0.4  CCNCC(=O)N 9af72e08b410c4df60bd96241a267974 [0,2,0,0,0,0|2,0,0]=4
24  B6R0.4  CCNCC(=O)O 4ff54ca579c6d0dc364629f4b9806db8 [0,2,0,0,0,0|1,0,0]=3
25  B6R0.4  CCOCC(=O)C 810b545b1a0c4af358d406c93928b4de [0,2,0,0,0,0|2,0,0]=4
26  B6R0.4  CCOCC(=O)N 8c3995d7bbe4bbb5793da2590cf6473e [0,2,0,0,0,0|2,0,0]=4
27  B6R0.4  CCOCC(=O)O ebe16b0612391447f19756491b2bd7a3 [0,2,0,0,0,0|1,0,0]=3
28  B6R0.4  CCOCS(=O)O 631a28bb34068ba6343c83c466f36b33 [0,2,0,0,0,0|2,0,0]=4
29  B6R0.4  N#CNCC(=O)N 442d746faa83502c9ff2df116c7418f8 [0,2,0,0,0,0|2,0,0]=4
30  B6R0.4  N#CNCC(=O)O 43756775e2c27a3310cd33c2c2160b96 [0,2,0,0,0,0|1,0,0]=3
31  B6R0.4  NC(=O)CNC=O 69aa9557cbc9861258c5d0da5bd61a6e [0,2,0,0,0,0|2,0,0]=4
32  B6R0.4  NC(=O)CNCF 1d1f788bdfbf1bf0db2a27d18231d6bd [0,2,0,0,0,0|1,1,0]=4
33  B6R0.4  NC(=O)CNCO d301de02518fc5358c97c5b15c4b68ec [0,2,0,0,0,0|2,0,0]=4
34  B6R0.4  NC(=O)COCF 5fb009cd2e813c9f1f9e35766b0ec8cb [0,2,0,0,0,0|1,1,0]=4
35  B6R0.4  O=C(O)CNCF d8e91f69db1ad3140a3502718cd0d10f [0,2,0,0,0,0|0,1,0]=3
36  B6R0.4  O=C(O)CNCO 03950869097643d435459ad5a0985e95 [0,2,0,0,0,0|1,0,0]=3
37  B6R0.4  O=C(O)COCF 7c32fa44d83e7ce6c73842137b12fe20 [0,2,0,0,0,0|0,1,0]=3
38  B6R0.4  O=S(O)COCF bc49b5a9355facf362625f551c5693d0 [0,2,0,0,0,0|1,1,0]=4