0 B12R1.252 C1=CC=C(C=C1)CNCC(=O)O 9395 [0,0,0,0,0,0|1,0,0]=1 1 B11R1.28 C1=CC=C(C=C1)CCN=C=O 10538 [1,0,0,0,0,0|1,0,1]=3 2 B11R1.28 C1=CC=C(C=C1)CNCCN 9598 [1,0,0,0,0,0|2,0,1]=4 3 B11R1.28 C1=CC=C(C=C1)OCCCBr 10158 [1,0,0,0,0,0|2,0,1]=4 4 B13R2.10 C1[C@@H](NC(=O)O1)C2=CC=CC=C2 10101 [0,0,0,1,0,0|2,0,0]=3 5 B11R1.91 C1=CC=C(C=C1)OCC(=O)N 5996 [0,0,0,0,1,0|2,0,0]=3 6 B11R1.91 CC(=O)NCC1=CC=NC=C1 10075 [0,0,0,0,1,0|3,0,0]=4 7 B11R1.91 c1ccnc(c1)CCC(=O)O P1251 [0,0,0,0,1,0|1,0,0]=2 8 B11R1.91 c1cnccc1CCC(=O)O P1258 [0,0,0,0,1,0|1,0,0]=2 9 B12R1.1 CCCCCC1=CC=C(C=C1)Br 10574 [1,1,0,0,0,0|1,0,1]=4 10 B12R1.1 CCCCCC1=CC=C(C=C1)Cl 6535 [1,1,0,0,0,0|1,0,1]=4 11 B12R1.8 C1=CC=C(C=C1)CCCN=C=S 9988 [1,1,0,0,0,0|0,1,1]=4 12 B12R1.32 CN(CCO)CC1=CC=CC=C1 5730 [1,1,0,0,0,0|1,0,1]=4 13 B12R1.21 C1=CC(=CC=C1CCC(=O)O)Cl 6857 [0,1,0,0,1,0|0,0,0]=2 14 B12R1.21 C1=CC(=CC=C1CCC(=O)O)N 6107 [0,1,0,0,1,0|0,0,0]=2 15 B12R1.21 C1=CC(=CC=C1CCC(=O)O)O 10629 [0,1,0,0,1,0|0,0,0]=2 16 B12R1.21 C1=CC(=CC=C1NCC(=O)O)O 5493 [0,1,0,0,1,0|1,0,0]=3 17 B12R1.21 C1=CC(=CC=C1OCC(=O)O)F 6309 [0,1,0,0,1,0|1,0,0]=3 18 B12R1.21 C1=CC(=CC=C1\C=C\C(=O)O)Br 9777 [0,1,0,0,1,0|0,0,2]=4 19 B12R1.21 C1=CC(=CC=C1\C=C\C(=O)O)F 5282 [0,1,0,0,1,0|0,0,2]=4 20 B12R1.21 C1=CC(=CC=C1\C=C\C(=O)O)O 10491 [0,1,0,0,1,0|0,0,2]=4 21 B12R1.21 c1cc(ccc1CCC(=O)O)Br B1115 [0,1,0,0,1,0|0,0,0]=2 22 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)N 5722 [0,1,0,0,1,0|0,0,0]=2 23 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)N 6844 [0,1,0,0,1,0|0,0,0]=2 24 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)N 9748 [0,1,0,0,1,0|0,0,0]=2 25 B12R1.43 C1=CC=C(C=C1)C[C@H](C(=O)O)O 10498 [0,1,0,0,1,0|0,0,0]=2 26 B12R1.107 C1=CC=C(C=C1)C(CC(=O)O)N 9362 [0,1,0,0,1,0|0,0,0]=2 27 B12R1.107 C1=CC=C(C=C1)C(CC(=O)[O-])[NH3+] 8928 [0,1,0,0,1,0|0,0,1]=3 28 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)Br 8755 [0,1,0,0,1,0|0,0,0]=2 29 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)Cl 5181 [0,1,0,0,1,0|0,0,0]=2 30 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)F 5182 [0,1,0,0,1,0|0,0,0]=2 31 B12R1.125 C1=CC=C(C(=C1)\C=C\C(=O)O)Br 5999 [0,1,0,0,1,0|0,0,2]=4 32 B12R1.125 CC1=CC=CC=C1CCC(=O)O 8274 [0,1,0,0,1,0|0,0,0]=2 33 B12R1.125 c1ccc(c(c1)\C=C\C(=O)O)F 5602 [0,1,0,0,1,0|0,0,2]=4 34 B12R1.226 C1=CC(=CC(=C1)Cl)CCC(=O)O 6537 [0,1,0,0,1,0|0,0,0]=2 35 B12R1.226 C1=CC(=CC(=C1)F)\C=C\C(=O)O 6032 [0,1,0,0,1,0|0,0,2]=4 36 B12R1.226 C1=CC(=CC(=C1)O)CCC(=O)O 10329 [0,1,0,0,1,0|0,0,0]=2 37 B12R2.1081 C1CC2=CC=CC=C2C(=O)C1 8243 [1,0,0,1,0,0|0,0,0]=2 38 B14R2.19 C1[C@@H](NC(=O)O1)CC2=CC=CC=C2 9847 [0,0,0,1,0,1|1,0,0]=3 39 B14R2.781 c1ccc2c(c1)CC(CO2)C(=O)O C1215 [0,1,0,1,0,0|1,0,0]=3 40 B10R1.18 C1=CC(=CN=C1)CC(=O)O 9059 [0,0,0,0,2,0|1,0,0]=3 41 B10R1.18 C1=CC=C(C=C1)NC(=O)N 10186 [0,0,0,0,2,0|2,0,0]=4 42 B10R1.18 C1=CC=C(C=C1)NC(=O)N 6814 [0,0,0,0,2,0|2,0,0]=4 43 B14R1.422 C1=CC=C(C=C1)COCCCC(=O)O 9174 [0,0,0,0,0,2|0,0,0]=2