0 B13R1.3 COC1=CC=C(C=CC(=O)O)C=C1 13413 [0,0,0,0,0,0|2,0,1]=3 1 B13R1.3 COC1=CC=C(\C=C\C(=O)O)C=C1 17095 [0,0,0,0,0,0|2,0,1]=3 2 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 15265 [1,0,0,0,0,0|2,0,0]=3 3 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 15283 [1,0,0,0,0,0|2,0,1]=4 4 B12R1.71 C=C\C=C\C1=CC=C(OC)C=C1 100513 [1,0,0,0,0,0|1,0,2]=4 5 B12R1.71 COC1=CC=C(C[Se]C#N)C=C1 20015 [1,0,0,0,0,0|1,1,1]=4 6 B14R1.2 COC1=CC=C(\C(C)=C\C(C)=O)C=C1 16733 [0,1,0,0,0,0|1,0,1]=3 7 B14R1.3 COC1=CC=C(C=C(S)C(=O)O)C=C1 656 [0,1,0,0,0,0|2,0,1]=4 8 B14R1.3 COC1=CC=C(CC(=O)C(=O)O)C=C1 15423 [0,1,0,0,0,0|2,0,0]=3 9 B14R1.3 COC1=CC=C(NC(=O)C(C)=O)C=C1 546 [0,1,0,0,0,0|2,0,0]=3 10 B14R1.3 COC1=CC=C(NC(=S)C(C)=O)C=C1 1370 [0,1,0,0,0,0|2,0,0]=3 11 B14R1.5 COC1=CC=C(CCC(=O)CF)C=C1 102154 [0,1,0,0,0,0|1,0,0]=2 12 B14R1.3653 COC1=C(O)C=C(CCC(=O)O)C=C1 15268 [0,1,0,0,0,0|2,0,0]=3 13 B14R1.3653 COC1=C(O)C=C(\C=C\C(=O)O)C=C1 15267 [0,1,0,0,0,0|2,0,1]=4 14 B14R2.134 COC1=CC=C2C=NC(C)=CC2=C1 16474 [0,0,0,1,0,0|2,0,1]=4 15 B14R2.1295 COC1=CC=C2CC(C(=O)O)C2=C1 16602 [0,0,0,1,0,0|2,0,0]=3 16 B12R1.4 C=CC1=CC=C(NC(C)=O)C=C1 13490 [0,0,0,0,1,0|2,0,1]=4 17 B12R1.4 COC1=CC=C(NC(C)=O)C=C1 17114 [0,0,0,0,1,0|1,0,0]=2 18 B12R1.4 N(C(C)=O)C1=CC=C(OC)N=C1 20381 [0,0,0,0,1,0|2,0,0]=3 19 B14R1.4 COC1=CC=C(CCCC(=O)O)C=C1 18171 [0,0,0,0,0,1|2,0,0]=3 20 B11R1.1 CCCCC1=CC=C(O)C=C1 17214 [2,0,0,0,0,0|1,0,1]=4 21 B11R1.91 O=C(O)CCC1=CC=CC=C1 19283 [2,0,0,0,0,0|2,0,0]=4 22 B13R1.14 CCC(=O)CCC1=CC=C(O)C=C1 102151 [1,1,0,0,0,0|1,0,0]=3 23 B13R1.14 COC(=O)\C=C\C1=CC=C(C)C=C1 20344 [1,1,0,0,0,0|1,0,1]=4 24 B13R1.132 CC1=CC=C(C(C)CC(=O)[O-])C=C1 12768 [1,1,0,0,0,0|2,0,0]=4 25 B13R1.133 CC(=O)C(=O)NC1=CC=C(C)C=C1 1364 [1,1,0,0,0,0|2,0,0]=4 26 B13R1.133 CC(=O)C(=S)NC1=CC=C(C)C=C1 1369 [1,1,0,0,0,0|2,0,0]=4 27 B13R1.511 CC(=O)CCC1=CC=C(O)C(F)=C1 102130 [1,1,0,0,0,0|1,0,0]=3 28 B13R1.142 C=CCC1=CC=C(OC(C)=O)C=C1 102308 [0,1,0,0,1,0|1,0,1]=4 29 B13R1.142 CCOC1=CC=C(NC(C)=O)C=C1 17111 [0,1,0,0,1,0|1,0,0]=3 30 B15R1.204 COC1=CC=C(N\C(C)=C/C(C)=O)C=C1 13210 [0,1,0,0,0,1|1,0,1]=4 31 B15R1.208 COC1=CC=C(C\C(=N/O)C(=O)O)C=C1 658 [0,2,0,0,0,0|2,0,0]=4 32 B15R1.3777 COC1=C(O)C=C(CC(=O)C(=O)O)C=C1 17147 [0,2,0,0,0,0|2,0,0]=4 33 B15R1.3779 COC(=O)CCC1=CC(O)=C(OC)C=C1 15266 [0,2,0,0,0,0|1,0,0]=3 34 B15R1.944 COC(=O)C1=CC=C(CO[N+](=O)[O-])C=C1 22035 [0,2,0,0,0,0|2,0,0]=4 35 B13R2.57 COC1=CC=C2CCNCC2=C1 15466 [1,0,0,1,0,0|2,0,0]=4 36 B13R2.57 COC1=CC=C2CCNCC2=C1 15469 [1,0,0,1,0,0|2,0,0]=4 37 B11R1.20 CC(=O)NC1=CC=C(Br)C=C1 15704 [1,0,0,0,1,0|2,0,0]=4 38 B11R1.20 CC(C)CC1=CC=C(O)C=C1 17197 [1,0,0,0,1,0|1,0,1]=4 39 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 102171 [1,0,0,0,1,0|2,0,0]=4 40 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 20773 [1,0,0,0,1,0|1,0,0]=3 41 B11R1.3 CCC1=CC=C(C(=O)Cl)C=C1 17245 [0,0,0,0,2,0|2,0,0]=4