0 B9R1.8 [C-]#[N+]Cc1ccccc1 ISN-0155 [1,0,0,0,0,0|2,0,0]=3 1 B9R1.8 [C-]#[N+]Cc1cccnc1 ISN-0012 [1,0,0,0,0,0|3,0,0]=4 2 B9R1.6 B(c1ccccc1)(O)O MIX-0059 [0,0,0,0,1,0|1,0,1]=3 3 B9R1.13 c1ccn(c1)CC(=O)O PYR-1006 [0,0,0,0,1,0|1,0,0]=2 4 B9R1.13 c1cn(cn1)CC(=O)O MIX-0732 [0,0,0,0,1,0|2,0,0]=3 5 B9R1.13 c1cnn(c1)CC(=O)O MIX-0956 [0,0,0,0,1,0|2,0,0]=3 6 B10R1.1 [C-]#[N+]Cc1ccc(cc1)Cl ISN-0032 [1,1,0,0,0,0|2,0,0]=4 7 B10R1.10 [C-]#[N+]Cc1cccc(c1)I ISN-0514 [1,1,0,0,0,0|2,0,0]=4 8 B10R1.13 c1cc(ncc1O)C(=O)O MIX-0152 [0,1,0,0,1,0|1,0,0]=3 9 B10R1.23 C[C@@H](C(=O)O)n1cccc1 PYR-1007 [0,1,0,0,1,0|1,0,0]=3 10 B10R1.23 c1cc(sc1)C(C(=O)O)N AAA-0365 [0,1,0,0,1,0|1,0,0]=3 11 B10R1.54 Cc1ccc(s1)CC(=O)O PAA-0191 [0,1,0,0,1,0|1,0,0]=3 12 B10R1.54 c1c(cn(n1)CC(=O)O)Br MIX-1020 [0,1,0,0,1,0|2,0,0]=4 13 B10R1.54 c1cc(sc1CC(=O)O)Cl PAA-0189 [0,1,0,0,1,0|1,0,0]=3 14 B10R1.64 Cc1nccn1CC(=O)O MIX-0957 [0,1,0,0,1,0|2,0,0]=4 15 B12R1.21 Cc1ccc(cc1)\C=C\C(=O)O MIX-0409 [0,1,0,0,0,1|0,0,1]=3 16 B12R1.21 c1cc(ccc1\C=C\C(=O)O)F MIX-0405 [0,1,0,0,0,1|0,0,1]=3 17 B12R1.125 Cc1ccccc1\C=C\C(=O)O MIX-0402 [0,1,0,0,0,1|0,0,1]=3 18 B12R1.125 c1ccc(c(c1)\C=C\C(=O)O)F MIX-0419 [0,1,0,0,0,1|0,0,1]=3 19 B12R1.226 Cc1cccc(c1)\C=C\C(=O)O MIX-0421 [0,1,0,0,0,1|0,0,1]=3 20 B12R1.226 c1cc(cc(c1)I)\C=C\C(=O)O MIX-0829 [0,1,0,0,0,1|0,0,1]=3 21 B12R1.19 Cc1ccc(cc1C)CC(=O)O PAA-0002 [0,2,0,0,0,0|0,0,0]=2 22 B12R1.19 c1cc(c(cc1CC(=O)O)F)F PAA-0218 [0,2,0,0,0,0|0,0,0]=2 23 B12R1.20 c1cc(ccc1C(C(=O)O)N)Cl AAA-0033 [0,2,0,0,0,0|0,0,0]=2 24 B12R1.20 c1cc(ccc1C(C(=O)O)N)I AAA-0102 [0,2,0,0,0,0|0,0,0]=2 25 B12R1.233 Cc1ccc(c(c1)C)CC(=O)O PAA-0003 [0,2,0,0,0,0|0,0,0]=2 26 B12R1.233 c1cc(c(cc1Cl)F)CC(=O)O PAA-0228 [0,2,0,0,0,0|0,0,0]=2 27 B12R1.233 c1cc(c(cc1F)Cl)CC(=O)O PAA-0230 [0,2,0,0,0,0|0,0,0]=2 28 B12R1.124 Cc1ccccc1C(C(=O)O)N AAA-0046 [0,2,0,0,0,0|0,0,0]=2 29 B12R1.124 c1ccc(c(c1)C(C(=O)O)N)Br AAA-0030 [0,2,0,0,0,0|0,0,0]=2 30 B12R1.124 c1ccc(c(c1)C(C(=O)O)N)Cl AAA-0034 [0,2,0,0,0,0|0,0,0]=2 31 B12R1.124 c1ccc(c(c1)C(C(=O)O)N)F AAA-0036 [0,2,0,0,0,0|0,0,0]=2 32 B12R1.225 c1cc(cc(c1)Cl)C(C(=O)O)N AAA-0029 [0,2,0,0,0,0|0,0,0]=2 33 B12R1.127 Cc1ccc(c(c1)CC(=O)O)C PAA-0004 [0,2,0,0,0,0|0,0,0]=2 34 B12R1.127 Cc1ccc(c(c1)CC(=O)O)Cl PAA-0179 [0,2,0,0,0,0|0,0,0]=2 35 B12R1.101 Cc1cc(cc(c1)F)CC(=O)O PAA-0227 [0,2,0,0,0,0|0,0,0]=2 36 B10R1.66 c1cc(sc1)\C=C\C(=O)O MIX-0404 [0,0,1,1,0,0|1,0,1]=4 37 B12R2.606 Cc1ccc2c(c1)CC(=O)N2 MIX-0858 [0,1,0,1,0,0|1,0,0]=3