0 B6R0.3 B(C(C)CC)(O)O LS11154 [0,0,0,0,0,0|1,0,3]=4 1 B6R0.3 C=C[C@@H](C(=O)O)N LS30533 [0,0,0,0,0,0|1,0,2]=3 2 B6R0.3 CC(=C)C(=O)NC LS41593 [0,0,0,0,0,0|4,0,0]=4 3 B6R0.3 CC(=O)N(C)OC LS41178 [0,0,0,0,0,0|3,0,0]=3 4 B6R0.3 CCC(=O)C(=O)O LS41883 [0,0,0,0,0,0|1,0,1]=2 5 B6R0.3 CCC(=O)C(=O)[O-] LS41889 [0,0,0,0,0,0|1,0,2]=3 6 B6R0.3 CCN(C)C(=O)Cl LS40081 [0,0,0,0,0,0|2,0,1]=3 7 B6R0.3 CC[C@@H](C(=O)O)O LS30082 [0,0,0,0,0,0|1,0,2]=3 8 B6R0.3 COC(=O)C(=C)F LS41928 [0,0,0,0,0,0|4,0,0]=4 9 B5R0.1 C(CO)C(=O)O LS40008 [1,0,0,0,0,0|1,0,2]=4 10 B5R0.1 CC#CC(=O)O LS40078 [1,0,0,0,0,0|0,0,2]=3 11 B5R0.5 B(C(=C)C)(O)O LS11152 [1,0,0,0,0,0|1,0,1]=3 12 B5R0.5 B(C(C)C)(O)O LS11150 [1,0,0,0,0,0|1,0,2]=4 13 B5R0.5 C(=O)(C(=O)[O-])O LS41479 [1,0,0,0,0,0|2,0,0]=3 14 B5R0.5 C(=O)(C(=O)[O-])[O-] LS40476 [1,0,0,0,0,0|2,0,1]=4 15 B5R0.5 C(=O)(C(=O)[O-])[O-] LS41476 [1,0,0,0,0,0|2,0,1]=4 16 B5R0.5 C(=O)(C(=O)[O-])[O-] LS41477 [1,0,0,0,0,0|2,0,1]=4 17 B5R0.5 C(=O)(C(=O)[O-])[O-] LS41480 [1,0,0,0,0,0|2,0,1]=4 18 B5R0.5 C(=O)(C(=O)[O-])[O-] LS41481 [1,0,0,0,0,0|2,0,1]=4 19 B5R0.5 C(=O)(C(=O)[O-])[O-] LS41482 [1,0,0,0,0,0|2,0,1]=4 20 B5R0.5 C(=O)(C(=O)[O-])[O-] LS60291 [1,0,0,0,0,0|2,0,1]=4 21 B5R0.5 CC(=O)C(=O)O LS41153 [1,0,0,0,0,0|1,0,0]=2 22 B5R0.5 CC(=O)C(=O)[O-] LS41154 [1,0,0,0,0,0|1,0,1]=3 23 B5R0.5 CC(=O)C(=O)[O-] LS41155 [1,0,0,0,0,0|1,0,1]=3 24 B5R0.5 CC(=O)C(=O)[O-] LS41156 [1,0,0,0,0,0|1,0,1]=3 25 B5R0.5 CC(=O)C(=O)[O-] LS41157 [1,0,0,0,0,0|1,0,1]=3 26 B5R0.5 CC(C(=O)O)Br LS40410 [1,0,0,0,0,0|1,0,1]=3 27 B5R0.5 C[C@@H](C(=O)O)Br LS30293 [1,0,0,0,0,0|1,0,1]=3 28 B5R0.5 C[C@@H](C(=O)O)Cl LS30117 [1,0,0,0,0,0|1,0,1]=3 29 B7R0.5 C(CN)C(C(=O)O)N LS40104 [0,1,0,0,0,0|1,0,2]=4 30 B7R0.5 CCC[C@@H](C(=O)O)N LS30304 [0,1,0,0,0,0|1,0,2]=4 31 B7R0.13 CCC(C)(C)C(=O)Cl LS41205 [0,1,0,0,0,0|1,0,2]=4 32 B7R0.13 CCC(C)(C)C(=O)O LS41203 [0,1,0,0,0,0|0,0,2]=3 33 B7R0.15 CCC(CC)C(=O)[O-] LS00031 [0,1,0,0,0,0|0,0,3]=4 34 B7R0.16 CC(C(=O)O)C(=O)O LS41650 [0,1,0,0,0,0|1,0,1]=3 35 B7R1.4 C1COC(=O)C1Br LS40518 [0,0,0,1,0,0|1,0,2]=4 36 B7R1.4 Cc1ccsc1Br LS20654 [0,0,0,1,0,0|1,1,1]=4 37 B7R1.4 Cc1ccsc1Cl LS20652 [0,0,0,1,0,0|1,1,1]=4 38 B7R1.12 C1[C@@H]([C@@H]1F)C(=O)O LS30221 [0,0,0,1,0,0|1,0,2]=4 39 B7R1.18 C1C(CN1)C(=O)O LS41152 [0,0,0,1,0,0|1,0,2]=4 40 B7R1.19 C1CC1(C(=O)O)N LS41411 [0,0,0,1,0,0|1,0,2]=4 41 B7R1.19 C1CC1(C(=O)O)N LS41412 [0,0,0,1,0,0|1,0,2]=4 42 B7R0.2 COC(=O)CC(=O)O LS41603 [0,0,0,0,0,1|2,0,0]=3 43 B4R0.1 CC(=C)CO LS40522 [2,0,0,0,0,0|0,0,1]=3 44 B4R0.1 CC(=NO)C LS00155 [2,0,0,0,0,0|1,0,0]=3 45 B4R0.1 CC[C@@H](C)O LS30261 [2,0,0,0,0,0|0,0,2]=4 46 B4R0.1 CC[C@H](C)O LS30260 [2,0,0,0,0,0|0,0,2]=4 47 B6R0.1 CCOC(=O)OC LS41158 [1,1,0,0,0,0|1,0,1]=4 48 B6R0.2 C[C@@H](CC(=O)O)N LS30205 [1,1,0,0,0,0|0,0,2]=4 49 B6R0.2 C[C@H](CC(=O)O)N LS30206 [1,1,0,0,0,0|0,0,2]=4 50 B6R0.4 C=CCCC(=O)O LS41473 [1,1,0,0,0,0|0,0,2]=4 51 B6R0.7 CC(C)(C(=O)O)N LS41573 [1,1,0,0,0,0|0,0,1]=3 52 B8R0.12 CC(C)(CC=C)C(=O)O LS40113 [0,2,0,0,0,0|0,0,2]=4 53 B6R1.2 C1CC(=O)OC1 LS40356 [1,0,0,1,0,0|0,0,2]=4 54 B6R1.2 c1coc(=O)o1 LS40378 [1,0,0,1,0,0|1,0,1]=4 55 B6R1.11 C1CC1C(=O)O LS41647 [1,0,0,1,0,0|0,0,2]=4 56 B8R1.4 Cc1ccnc(n1)O LS20077 [0,0,0,1,0,1|1,0,1]=4 57 B8R1.18 Cc1c(oc(n1)C)C LS20281 [0,0,0,1,0,1|1,0,0]=3 58 B8R1.5 Cc1c(cccn1)O LS20321 [0,1,0,1,0,0|1,0,1]=4 59 B8R1.5 Cc1cccnc1O LS20286 [0,1,0,1,0,0|1,0,1]=4 60 B8R1.7 C1C=CCC1C(=O)O LS41644 [0,1,0,1,0,0|0,0,2]=4 61 B8R1.7 C1CC(OC1)C(=O)O LS21156 [0,1,0,1,0,0|0,0,2]=4 62 B8R1.7 C1CNCC1C(=O)O LS20048 [0,1,0,1,0,0|0,0,2]=4 63 B8R1.7 C1C[C@@H](OC1)C(=O)O LS30181 [0,1,0,1,0,0|0,0,2]=4 64 B8R1.7 C1C[C@H](OC1)C(=O)O LS30180 [0,1,0,1,0,0|0,0,2]=4 65 B8R1.7 c1c(cn[nH]1)C(=O)O LS21130 [0,1,0,1,0,0|1,0,1]=4 66 B8R1.7 c1c(con1)C(=O)O LS20144 [0,1,0,1,0,0|1,0,1]=4 67 B8R1.7 c1c(nc[nH]1)C(=O)O LS20993 [0,1,0,1,0,0|1,0,1]=4 68 B8R1.7 c1c(nco1)C(=O)O LS41294 [0,1,0,1,0,0|1,0,1]=4 69 B8R1.7 c1c(ncs1)C(=O)O LS21061 [0,1,0,1,0,0|1,0,1]=4 70 B8R1.7 c1cc([nH]c1)C(=O)O LS20064 [0,1,0,1,0,0|0,0,2]=4 71 B8R1.7 c1cc(sc1)C(=O)O LS20648 [0,1,0,1,0,0|0,0,2]=4 72 B8R1.7 c1cnc([nH]1)C(=O)O LS20563 [0,1,0,1,0,0|1,0,1]=4 73 B8R1.7 c1cnoc1C(=O)O LS20280 [0,1,0,1,0,0|1,0,1]=4 74 B8R1.7 c1conc1C(=O)O LS20146 [0,1,0,1,0,0|1,0,1]=4 75 B8R1.7 c1cscc1C(=O)O LS20647 [0,1,0,1,0,0|0,0,2]=4 76 B8R1.23 C1C(CC1=O)C(=O)O LS00009 [0,1,0,1,0,0|1,0,1]=4 77 B8R1.78 C1CC(C1)(C(=O)O)N LS40291 [0,1,0,1,0,0|0,0,2]=4 78 B8R1.78 CC1(COC1)C(=O)O LS40302 [0,1,0,1,0,0|0,0,2]=4 79 B8R1.11 Cc1ccsc1C=O LS20658 [0,1,0,1,0,0|0,1,1]=4 80 B8R1.25 c1(c(c(=O)c1=O)O)O LS41695 [0,1,0,1,0,0|2,0,0]=4 81 B8R1.25 c1(c(c(=O)c1=O)O)O LS41695 [0,1,0,1,0,0|2,0,0]=4 82 B8R1.50 Cc1c(c(on1)C)I LS40341 [0,1,0,1,0,0|2,0,0]=4