0 B7R0.4 CC(=O)NCCCO WXC04434 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.4 CC(=C)CCCBr WX630324 [1,0,0,0,0,0|2,0,1]=4 2 B6R0.4 CC(=C)CCCO WX640339 [1,0,0,0,0,0|2,0,1]=4 3 B8R0.9 C\C=C(/C)\C=C\C(=O)O WX610042 [0,1,0,0,0,0|1,0,2]=4 4 B8R0.28 CC(C)CNCC(=O)O WXC00158 [0,1,0,0,0,0|2,0,1]=4 5 B8R1.1 C1C(COC1=O)CO WX640247 [0,0,0,1,0,0|2,0,1]=4 6 B8R1.1 CCC1COC(=O)N1 WX619211 [0,0,0,1,0,0|2,0,1]=4 7 B8R1.1 Cc1ccc(s1)CN WX609036 [0,0,0,1,0,0|1,1,1]=4 8 B8R1.1 Cc1ccc(s1)CN WX609532 [0,0,0,1,0,0|1,1,1]=4 9 B8R1.1 Cc1ccc(s1)CO WX640089 [0,0,0,1,0,0|1,1,1]=4 10 B8R1.4 CC1CC(=O)CCN1 WX604553 [0,0,0,1,0,0|1,0,2]=4 11 B8R1.4 CC1CNCC(=O)N1 WX604173 [0,0,0,1,0,0|2,0,1]=4 12 B8R1.7 C1CC(SC1)C(=O)O WX610408 [0,0,0,1,0,0|2,0,1]=4 13 B8R1.7 CC(=O)c1c[nH]cn1 WX626016 [0,0,0,1,0,0|2,0,1]=4 14 B8R1.7 CC(=O)c1cc[nH]n1 WX626051 [0,0,0,1,0,0|2,0,1]=4 15 B8R1.7 CC(=O)c1cncs1 WX626015 [0,0,0,1,0,0|2,0,1]=4 16 B8R1.22 C1CC(=O)CCOC1 WXC02242 [0,0,0,1,0,0|1,0,2]=4 17 B8R1.22 C1CNC(=O)COC1 WX619937 [0,0,0,1,0,0|2,0,1]=4 18 B8R1.22 C1CNCC(=O)NC1 WX604239 [0,0,0,1,0,0|2,0,1]=4 19 B5R0.1 C(CF)C(=O)O WX610266 [2,0,0,0,0,0|2,0,0]=4 20 B5R0.1 CC(=O)CNC WX600212 [2,0,0,0,0,0|1,0,0]=3 21 B5R0.1 CC(=O)\C=N\O WX690228 [2,0,0,0,0,0|2,0,0]=4 22 B5R0.1 CCCC(=N)N WX619909 [2,0,0,0,0,0|2,0,0]=4 23 B5R0.2 CCO\C=C/Br WX630081 [2,0,0,0,0,0|2,0,0]=4 24 B7R0.3 COC(=O)CCCN WX600050 [1,1,0,0,0,0|1,0,1]=4 25 B7R0.6 CC(C)\C=C\[N+](=O)[O-] WX685406 [1,1,0,0,0,0|2,0,0]=4 26 B7R0.7 CCOC(=O)\C=C\I WX618027 [1,1,0,0,0,0|2,0,0]=4 27 B9R0.1 CC(C)C\C=C\C(=O)OC WXC02876 [0,2,0,0,0,0|0,0,0]=2 28 B9R0.46 CCNCCCC(=O)OC WX600178 [0,2,0,0,0,0|0,0,2]=4 29 B9R0.46 COC(=O)CSCCCCl WXC03428 [0,2,0,0,0,0|1,0,1]=4 30 B9R0.48 CCOC(=O)\C=C\C(=O)C WX685448 [0,2,0,0,0,0|0,0,1]=3 31 B7R1.2 C1C(COC1=O)N WXC01359 [1,0,0,1,0,0|2,0,0]=4 32 B7R1.2 C1[C@@H](CNC1=O)O WX650011 [1,0,0,1,0,0|2,0,0]=4 33 B7R1.2 CC1CC(=O)NC1 WXC00781 [1,0,0,1,0,0|1,0,0]=3 34 B7R1.3 C1CC(=O)COC1 WX625057 [1,0,0,1,0,0|1,0,1]=4 35 B7R1.3 C1CNC(=O)CN1 WX604543 [1,0,0,1,0,0|2,0,0]=4 36 B7R1.3 C1CNCCC1=O WX604552 [1,0,0,1,0,0|1,0,1]=4 37 B7R1.3 C1COC(=O)C=C1 WX685450 [1,0,0,1,0,0|1,0,0]=3 38 B7R1.12 CC1CC1C(=O)O WX610273 [1,0,0,1,0,0|1,0,1]=4 39 B7R1.12 C[C@H]1C[C@@H]1C(=O)O WX611005 [1,0,0,1,0,0|1,0,1]=4 40 B9R1.7 CCCc1cc(on1)N WX609183 [0,1,0,1,0,0|1,0,1]=4 41 B9R1.41 CC(=O)c1ccnn1C WX626017 [0,1,0,1,0,0|1,0,1]=4 42 B9R1.41 Cc1c(c[nH]n1)C(=O)C WX626082 [0,1,0,1,0,0|1,0,1]=4 43 B9R1.53 CC(=O)N[C@H]1C[C@@H](C1)N WXC00530 [0,1,0,1,0,0|1,0,1]=4 44 B9R1.2 C1CNC(=O)CC1CN WX600136 [0,1,0,1,0,0|1,0,1]=4 45 B9R1.2 C1CNC(=O)CC1CN WX600354 [0,1,0,1,0,0|1,0,1]=4 46 B9R1.5 C1CC(C(=O)CNC1)F WX601127 [0,1,0,1,0,0|1,0,1]=4 47 B9R1.5 C1CCNC(=O)[C@H](C1)N WX604515 [0,1,0,1,0,0|1,0,1]=4 48 B9R1.11 C1CCN(C1)C(=O)CCl WX630093 [0,1,0,1,0,0|1,0,1]=4 49 B9R1.11 COC(=O)C1CCCC1 WX618330 [0,1,0,1,0,0|0,0,2]=4 50 B9R1.11 COC(=O)C1CCCN1 WX604114 [0,1,0,1,0,0|1,0,1]=4 51 B9R1.6 CC(=O)C1CCOCC1 WX625056 [0,1,0,1,0,0|0,0,2]=4 52 B9R1.112 C1CC1NC(=O)C(=O)O WXC02525 [0,1,0,1,0,0|2,0,0]=4