0 B5R0.3 COC(=O)C#C LS40367 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.3 COC(=O)CBr LS40562 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.3 COC(=O)CF LS40581 [0,0,0,0,0,0|3,0,1]=4 3 B4R0.1 C(C(=O)Cl)Br LS40185 [1,0,0,0,0,0|2,0,1]=4 4 B4R0.1 C(C(=O)N)I LS41576 [1,0,0,0,0,0|2,0,1]=4 5 B4R0.1 C(C(=O)[O-])Br LS41065 [1,0,0,0,0,0|2,0,1]=4 6 B4R0.1 CC(=C)CO LS40522 [1,0,0,0,0,0|0,0,2]=3 7 B4R0.1 CC(=NO)C LS00155 [1,0,0,0,0,0|1,0,1]=3 8 B4R0.1 CC[C@@H](C)O LS30261 [1,0,0,0,0,0|0,0,3]=4 9 B4R0.1 CC[C@H](C)O LS30260 [1,0,0,0,0,0|0,0,3]=4 10 B6R0.1 C\C(=N/C#N)\OC LS41000 [0,1,0,0,0,0|2,0,1]=4 11 B6R0.3 C=C[C@@H](C(=O)O)N LS30533 [0,1,0,0,0,0|1,0,2]=4 12 B6R0.3 CC(=C)C(=O)NC LS41593 [0,1,0,0,0,0|3,0,0]=4 13 B6R0.3 CC(=O)N(C)OC LS41178 [0,1,0,0,0,0|2,0,0]=3 14 B6R0.3 CCC(=O)C(=O)O LS41883 [0,1,0,0,0,0|1,0,1]=3 15 B6R0.3 CCC(=O)C(=O)[O-] LS41889 [0,1,0,0,0,0|1,0,1]=3 16 B6R0.3 CCN(C)C(=O)Cl LS40081 [0,1,0,0,0,0|1,0,1]=3 17 B6R0.3 CC[C@@H](C(=O)O)O LS30082 [0,1,0,0,0,0|1,0,2]=4 18 B6R0.3 COC(=O)C(=C)F LS41928 [0,1,0,0,0,0|3,0,0]=4 19 B6R1.2 CC1=NCCC1 LS20850 [0,0,0,1,0,0|2,0,1]=4 20 B6R1.2 Cc1c[nH]nc1 LS20097 [0,0,0,1,0,0|2,0,0]=3 21 B6R1.2 Cc1cc[nH]n1 LS20095 [0,0,0,1,0,0|2,0,1]=4 22 B6R1.2 Cc1cccs1 LS20640 [0,0,0,1,0,0|2,0,1]=4 23 B6R1.2 Cc1cnoc1 LS20829 [0,0,0,1,0,0|1,0,1]=3 24 B6R1.2 Cn1ccnc1 LS20202 [0,0,0,1,0,0|2,0,1]=4 25 B6R1.2 Cn1cnnc1 LS20844 [0,0,0,1,0,0|3,0,0]=4 26 B6R1.2 c1cocc1Br LS20289 [0,0,0,1,0,0|1,0,2]=4 27 B6R1.2 c1cscc1Br LS20645 [0,0,0,1,0,0|1,1,1]=4 28 B3R0.1 CNOC LS41340 [2,0,0,0,0,0|2,0,0]=4 29 B3R0.2 BN(C)C LS00132 [2,0,0,0,0,0|2,0,0]=4 30 B3R0.2 C(=O)(O)[O-] LS60311 [2,0,0,0,0,0|2,0,0]=4 31 B3R0.2 CC(=O)O LS00077 [2,0,0,0,0,0|1,0,0]=3 32 B3R0.2 CC(=O)[O-] LS60288 [2,0,0,0,0,0|1,0,0]=3 33 B3R0.2 CC(=O)[O-] LS60289 [2,0,0,0,0,0|1,0,0]=3 34 B3R0.2 CC(=O)[O-] LS60314 [2,0,0,0,0,0|1,0,0]=3 35 B3R0.2 CC(C)[O-] LS60292 [2,0,0,0,0,0|0,0,2]=4 36 B3R0.2 CN(C)C LS41629 [2,0,0,0,0,0|1,0,1]=4 37 B3R0.2 CP(C)C LS41013 [2,0,0,0,0,0|1,0,1]=4 38 B5R0.1 C(CCl)C(=O)Cl LS40026 [1,1,0,0,0,0|1,0,1]=4 39 B5R0.1 C(CO)C(=O)O LS40008 [1,1,0,0,0,0|1,0,1]=4 40 B5R0.1 CC#CC(=O)O LS40078 [1,1,0,0,0,0|1,0,1]=4 41 B5R0.4 CC(C)(C)C=C LS40301 [1,1,0,0,0,0|1,0,1]=4 42 B5R0.4 CNS(=O)(=O)C LS40122 [1,1,0,0,0,0|2,0,0]=4 43 B5R0.5 B(C(=C)C)(O)O LS11152 [1,1,0,0,0,0|1,0,1]=4 44 B5R0.5 C(=O)(C(=O)[O-])O LS41479 [1,1,0,0,0,0|2,0,0]=4 45 B5R0.5 C(=O)(C(=O)[O-])[O-] LS40476 [1,1,0,0,0,0|2,0,0]=4 46 B5R0.5 C(=O)(C(=O)[O-])[O-] LS41476 [1,1,0,0,0,0|2,0,0]=4 47 B5R0.5 C(=O)(C(=O)[O-])[O-] LS41477 [1,1,0,0,0,0|2,0,0]=4 48 B5R0.5 C(=O)(C(=O)[O-])[O-] LS41480 [1,1,0,0,0,0|2,0,0]=4 49 B5R0.5 C(=O)(C(=O)[O-])[O-] LS41481 [1,1,0,0,0,0|2,0,0]=4 50 B5R0.5 C(=O)(C(=O)[O-])[O-] LS41482 [1,1,0,0,0,0|2,0,0]=4 51 B5R0.5 C(=O)(C(=O)[O-])[O-] LS60291 [1,1,0,0,0,0|2,0,0]=4 52 B5R0.5 CC(=O)C(=O)O LS41153 [1,1,0,0,0,0|1,0,0]=3 53 B5R0.5 CC(=O)C(=O)[O-] LS41154 [1,1,0,0,0,0|1,0,0]=3 54 B5R0.5 CC(=O)C(=O)[O-] LS41155 [1,1,0,0,0,0|1,0,0]=3 55 B5R0.5 CC(=O)C(=O)[O-] LS41156 [1,1,0,0,0,0|1,0,0]=3 56 B5R0.5 CC(=O)C(=O)[O-] LS41157 [1,1,0,0,0,0|1,0,0]=3 57 B5R0.5 CC(C(=O)O)Br LS40410 [1,1,0,0,0,0|1,0,1]=4 58 B5R0.5 C[C@@H](C(=O)O)Br LS30293 [1,1,0,0,0,0|1,0,1]=4 59 B5R0.5 C[C@@H](C(=O)O)Cl LS30117 [1,1,0,0,0,0|1,0,1]=4 60 B5R0.2 C(\C=C/CCl)Cl LS30130 [1,1,0,0,0,0|1,0,1]=4 61 B5R0.2 C(\C=C\CCl)Cl LS30302 [1,1,0,0,0,0|1,0,1]=4 62 B7R0.2 COC(=O)CC(=O)O LS41603 [0,2,0,0,0,0|2,0,0]=4 63 B7R0.13 CCC(C)(C)C(=O)Cl LS41205 [0,2,0,0,0,0|0,0,2]=4 64 B7R0.13 CCC(C)(C)C(=O)O LS41203 [0,2,0,0,0,0|0,0,2]=4 65 B7R0.15 CCC(CC)C(=O)[O-] LS00031 [0,2,0,0,0,0|0,0,2]=4 66 B7R0.16 CC(C(=O)O)C(=O)O LS41650 [0,2,0,0,0,0|1,0,1]=4 67 B5R1.2 C1C(=O)CO1 LS41911 [1,0,0,1,0,0|1,0,1]=4 68 B5R1.2 C1C(=O)CS1 LS40394 [1,0,0,1,0,0|1,0,1]=4 69 B5R1.2 C1CC(=O)C1 LS40231 [1,0,0,1,0,0|0,0,1]=3 70 B5R1.1 C1C=CCN1 LS20566 [1,0,0,1,0,0|1,0,1]=4 71 B5R1.1 c1c[nH]nc1 LS21032 [1,0,0,1,0,0|2,0,0]=4 72 B5R1.1 c1cnoc1 LS21145 [1,0,0,1,0,0|1,0,1]=4 73 B5R1.1 c1cnsc1 LS21251 [1,0,0,1,0,0|1,1,0]=4 74 B7R1.1 C1CCC(C1)C=O LS41696 [0,1,0,1,0,0|0,0,2]=4 75 B7R1.1 c1c(nc[nH]1)C=O LS20992 [0,1,0,1,0,0|1,0,1]=4 76 B7R1.1 c1c(ncs1)C=O LS21128 [0,1,0,1,0,0|1,0,1]=4 77 B7R1.1 c1cc([nH]c1)C=O LS00119 [0,1,0,1,0,0|0,0,2]=4 78 B7R1.1 c1cc(sc1)C=O LS40350 [0,1,0,1,0,0|0,0,2]=4 79 B7R1.1 c1cnc([nH]1)C=O LS20564 [0,1,0,1,0,0|1,0,1]=4 80 B7R1.1 c1csc(n1)C=O LS20580 [0,1,0,1,0,0|1,0,1]=4 81 B7R1.1 c1cscc1C=O LS20646 [0,1,0,1,0,0|0,0,2]=4 82 B7R1.2 C1CC(=O)CC1=O LS41637 [0,1,0,1,0,0|1,0,1]=4 83 B7R1.2 Cc1cc(cs1)Br LS20656 [0,1,0,1,0,0|1,1,0]=4 84 B7R1.2 Cc1ccc(s1)Br LS20655 [0,1,0,1,0,0|1,0,1]=4 85 B7R1.2 Cc1ccc(s1)C LS20641 [0,1,0,1,0,0|1,0,0]=3 86 B7R1.2 Cc1ccc(s1)Cl LS20653 [0,1,0,1,0,0|1,0,1]=4 87 B7R1.2 Cc1ccn(n1)C LS20249 [0,1,0,1,0,0|2,0,0]=4 88 B7R1.2 Cc1cnc(s1)N LS20937 [0,1,0,1,0,0|2,0,0]=4 89 B7R1.4 Cc1c(nc[nH]1)C LS20271 [0,1,0,1,0,0|1,0,0]=3 90 B7R1.4 Cc1ccsc1Br LS20654 [0,1,0,1,0,0|0,1,1]=4 91 B7R1.4 Cc1ccsc1Cl LS20652 [0,1,0,1,0,0|0,1,1]=4