0 B12R1.43 CC(C(=O)O)Nc1ccccc1 LS10086 [0,0,0,0,0,0|2,0,1]=3 1 B12R1.43 C\C(=C/c1ccccc1)\[N+](=O)[O-] LS11815 [0,0,0,0,0,0|2,0,2]=4 2 B11R1.91 B(CCc1ccccc1)(O)O LS10785 [1,0,0,0,0,0|1,0,2]=4 3 B11R1.91 CC(=O)CCc1ccccc1 LS10597 [1,0,0,0,0,0|1,0,1]=3 4 B11R1.91 c1cc(cnc1)\C=C\C(=O)O LS20492 [1,0,0,0,0,0|1,0,1]=3 5 B11R1.91 c1ccc(cc1)COC(=O)N LS40379 [1,0,0,0,0,0|2,0,0]=3 6 B11R1.91 c1ccc(cc1)CSC(=N)N LS11866 [1,0,0,0,0,0|3,0,0]=4 7 B11R1.91 c1ccc(cc1)\C=C\C(=O)O LS00072 [1,0,0,0,0,0|0,0,1]=2 8 B13R1.133 C[C@H](C(=O)O)Oc1ccc(cc1)O LS30251 [0,1,0,0,0,0|2,0,1]=4 9 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)Br LS30159 [0,1,0,0,0,0|1,0,1]=3 10 B13R1.133 c1cc(ccc1C[C@H](C(=O)O)N)Br LS30158 [0,1,0,0,0,0|1,0,1]=3 11 B13R1.148 c1cc(cc(c1)Br)C[C@@H](C(=O)O)N LS30161 [0,1,0,0,0,0|1,0,1]=3 12 B13R1.148 c1cc(cc(c1)Br)C[C@H](C(=O)O)N LS30160 [0,1,0,0,0,0|1,0,1]=3 13 B13R2.435 c1ccc2c(c1)CC(N2)C(=O)O LS20412 [0,0,0,1,0,0|1,0,1]=3 14 B13R2.435 c1ccc2c(c1)C[C@H](N2)C(=O)O LS30268 [0,0,0,1,0,0|1,0,1]=3 15 B13R2.435 c1ccc2c(c1)cc(s2)C(=O)O LS40345 [0,0,0,1,0,0|0,1,1]=3 16 B11R1.36 CC(c1ccccc1)C(=O)O LS10633 [0,0,0,0,1,0|1,0,1]=3 17 B11R1.36 C[C@H](c1ccccc1)C(=O)O LS30098 [0,0,0,0,1,0|1,0,1]=3 18 B11R1.36 c1ccc(cc1)C(C(=O)O)O LS00073 [0,0,0,0,1,0|0,0,2]=3 19 B13R1.351 CC(=C)C(=O)OCc1ccccc1 LS11727 [0,0,0,0,0,1|2,0,0]=3 20 B10R1.17 c1ccc(cc1)C#CC=O LS11729 [2,0,0,0,0,0|0,0,2]=4 21 B10R1.18 B(Cc1ccccc1)(O)O LS10783 [2,0,0,0,0,0|1,0,1]=4 22 B10R1.18 CC(=O)Cc1ccncc1 LS00130 [2,0,0,0,0,0|1,0,1]=4 23 B10R1.18 c1ccc(cc1)CC(=O)N LS11701 [2,0,0,0,0,0|1,0,0]=3 24 B12R1.34 COC(=O)C(c1ccccc1)Br LS11730 [1,1,0,0,0,0|2,0,0]=4 25 B12R1.371 COC(=O)Cc1ccccc1O LS10128 [1,1,0,0,0,0|2,0,0]=4 26 B12R1.21 CC(=O)CCc1ccc(cc1)O LS40102 [1,1,0,0,0,0|1,0,1]=4 27 B12R1.21 c1cc(ccc1\C=C\C(=O)O)O LS30305 [1,1,0,0,0,0|0,0,1]=3 28 B12R1.107 c1ccc(cc1)C(CC(=O)O)N LS11551 [1,1,0,0,0,0|0,0,1]=3 29 B12R1.107 c1ccc(cc1)C(CC(=O)O)O LS11565 [1,1,0,0,0,0|0,0,1]=3 30 B12R1.107 c1ccc(cc1)[C@@H](CC(=O)O)N LS30112 [1,1,0,0,0,0|0,0,1]=3 31 B12R1.107 c1ccc(cc1)[C@H](CC(=O)O)N LS30295 [1,1,0,0,0,0|0,0,1]=3 32 B12R1.107 c1ccc(cc1)[C@H](CC(=O)O)N LS30296 [1,1,0,0,0,0|0,0,1]=3 33 B12R1.20 c1cc(ccc1C(=O)C(O)O)Br LS10179 [0,1,0,0,1,0|0,0,2]=4 34 B12R1.124 c1ccc(c(c1)[C@@H](C(=O)O)N)Cl LS30118 [0,1,0,0,1,0|1,0,1]=4 35 B14R1.743 COC(=O)CC(Cc1ccccc1)N LS10603 [0,1,0,0,0,1|1,0,1]=4 36 B12R2.18 c1ccc2c(c1)C(=O)C(=O)N2 LS21014 [1,0,0,1,0,0|1,0,0]=3 37 B12R2.24 c1ccc2c(c1)CCC(=O)C2 LS41173 [1,0,0,1,0,0|1,0,1]=4 38 B12R2.24 c1ccc2c(c1)NC(=O)CO2 LS40207 [1,0,0,1,0,0|1,0,1]=4 39 B14R2.19 c1ccc(cc1)C[C@@H]2COC(=O)N2 LS30287 [0,0,0,1,0,1|1,0,1]=4 40 B14R2.19 c1ccc(cc1)C[C@H]2COC(=O)N2 LS30092 [0,0,0,1,0,1|1,0,1]=4 41 B14R2.781 c1ccc2c(c1)cc(cn2)C(=O)O LS20865 [0,0,0,1,0,1|1,0,1]=4 42 B14R2.781 c1ccc2c(c1)ccc(n2)C(=O)O LS20881 [0,0,0,1,0,1|1,0,1]=4 43 B14R2.781 c1ccc2c(c1)ncc(n2)C(=O)O LS20864 [0,0,0,1,0,1|1,0,1]=4 44 B14R2.781 c1ccc2cnc(cc2c1)C(=O)O LS20126 [0,0,0,1,0,1|1,0,1]=4 45 B14R2.4529 c1cc(cc2c1cc([nH]2)C(=O)O)Br LS20433 [0,1,0,1,0,0|1,0,1]=4 46 B14R2.4529 c1cc2c(cc1F)cc([nH]2)C(=O)O LS20431 [0,1,0,1,0,0|1,0,1]=4 47 B14R2.4529 c1cc2c(cc1N)cc(o2)C(=O)O LS41072 [0,1,0,1,0,0|0,0,2]=4 48 B14R2.7969 c1cc2c(cc(s2)C(=O)O)c(c1)Br LS40988 [0,1,0,1,0,0|0,1,1]=4 49 B10R1.15 c1ccc(cc1)C(=O)CBr LS11352 [1,0,0,0,1,0|1,0,1]=4 50 B10R1.15 c1ccc(cc1)C(=O)CCl LS11677 [1,0,0,0,1,0|1,0,1]=4 51 B10R1.15 c1ccc(cc1)C(=O)CO LS10613 [1,0,0,0,1,0|0,0,1]=3 52 B10R1.66 c1cc(sc1)\C=C\C(=O)O LS20822 [1,0,0,0,1,0|1,0,1]=4 53 B12R1.252 c1ccc(cc1)CCCC(=O)O LS10686 [1,0,0,0,0,1|0,0,1]=3 54 B12R1.252 c1ccc(cc1)CNCC(=O)O LS40466 [1,0,0,0,0,1|0,0,1]=3 55 B12R1.252 c1ccc(cc1)COCC(=O)O LS10747 [1,0,0,0,0,1|0,0,1]=3