0 B6R0.6 CC/C=C\CCO T22295 [0,0,0,0,0,0|0,0,4]=4 1 B6R0.6 CCC/C=C/C=O T8099 [0,0,0,0,0,0|0,0,2]=2 2 B6R0.6 CCC/C=C/CO TN5162 [0,0,0,0,0,0|0,0,4]=4 3 B7R0.3 CO/C=C/C(=O)OC TN6402 [0,1,0,0,0,0|3,0,0]=4 4 B7R0.4 C/C=C/C=C/C(O)=O T8019 [0,1,0,0,0,0|0,0,0]=1 5 B7R0.4 C/C=C/C=C/C([O-])=O T4807 [0,1,0,0,0,0|0,0,0]=1 6 B7R1.1 COc1ccoc1 TN2959 [0,0,0,1,0,0|3,0,0]=4 7 B7R1.3 Cc1ccccn1 T21323 [0,0,0,1,0,0|1,0,0]=2 8 B7R1.3 Clc1cnccn1 T2193 [0,0,0,1,0,0|3,0,0]=4 9 B7R1.3 O=C1NCCC=C1 TN3081 [0,0,0,1,0,0|1,0,2]=4 10 B7R1.3 O=c1cccc[nH]1 T4805 [0,0,0,1,0,0|1,0,0]=2 11 B7R1.4 Cn1ccnc1S T0840 [0,0,0,1,0,0|2,1,0]=4 12 B7R1.4 Cn1sccc1=O T19774 [0,0,0,1,0,0|2,0,0]=3 13 B7R1.4 Cn1sccc1=O T28029 [0,0,0,1,0,0|2,0,0]=3 14 B4R0.2 CSCC=C T5579 [2,0,0,0,0,0|1,0,1]=4 15 B6R0.4 NC/C=C/C(O)=O T23414 [1,1,0,0,0,0|1,0,1]=4 16 B6R0.4 OC(=O)CCC=C T8032 [1,1,0,0,0,0|0,0,2]=4 17 B6R0.4 OC/C=C/C(O)=O T23473 [1,1,0,0,0,0|1,0,1]=4 18 B8R0.9 COC(=O)/C=C/C(O)=O T12095 [0,2,0,0,0,0|1,0,0]=3 19 B8R0.28 CC(=O)CC/C=C(/C)C TN6832 [0,2,0,0,0,0|0,0,2]=4 20 B8R0.28 NC(=N)S/C=C\C(O)=O T23556 [0,2,0,0,0,0|2,0,0]=4 21 B6R1.1 C1=CC=CC=C1 T12445 [1,0,0,1,0,0|0,0,1]=3 22 B6R1.1 c1cncnc1 T4809 [1,0,0,1,0,0|2,0,0]=4 23 B6R1.2 C[c-]1cccc1 T20558 [1,0,0,1,0,0|0,0,1]=3 24 B6R1.2 Cc1cn[nH]c1 T0765 [1,0,0,1,0,0|2,0,0]=4 25 B6R1.2 Cn1ccnc1 T0575 [1,0,0,1,0,0|2,0,0]=4 26 B8R1.2 COc1cnccn1 TN6755 [0,1,0,1,0,0|2,0,0]=4 27 B8R1.2 NCc1ccccc1 TN3497 [0,1,0,1,0,0|1,0,0]=3 28 B8R1.2 NCc1cccnc1 T1581 [0,1,0,1,0,0|2,0,0]=4 29 B8R1.2 O=Cc1ccccc1 TWO2659 [0,1,0,1,0,0|0,0,1]=3 30 B8R1.2 OCc1ccccc1 T0732 [0,1,0,1,0,0|1,0,0]=3 31 B8R1.2 OCc1ccccn1 T1112 [0,1,0,1,0,0|1,0,0]=3 32 B8R1.2 OCc1cccnc1 T1299 [0,1,0,1,0,0|2,0,0]=4 33 B8R1.5 Cc1ncccc1O T5901 [0,1,0,1,0,0|0,0,1]=3 34 B8R1.5 Nc1ccccc1I T20285 [0,1,0,1,0,0|1,0,1]=4 35 B8R1.5 Nc1ccncc1N T4497 [0,1,0,1,0,0|2,0,0]=4 36 B8R1.5 Nc1ccncc1N T4497L [0,1,0,1,0,0|2,0,0]=4 37 B8R1.5 Nc1ncccc1O T7923 [0,1,0,1,0,0|1,0,1]=4 38 B8R1.5 Oc1coccc1=O TL0015 [0,1,0,1,0,0|1,0,0]=3 39 B8R1.5 On1ccccc1=S T12593 [0,1,0,1,0,0|1,0,1]=4 40 B8R1.5 [O-]n1ccccc1=S T26004 [0,1,0,1,0,0|1,0,1]=4 41 B8R1.1 Cc1ccc(C=O)o1 TCP2934 [0,1,0,1,0,0|0,0,0]=2 42 B8R1.1 Cc1ccc(C=O)s1 T19154 [0,1,0,1,0,0|0,0,0]=2 43 B8R1.3 Cc1cnc(C)cn1 T4801 [0,1,0,1,0,0|2,0,0]=4 44 B8R1.3 Clc1ccc(Cl)cc1 T7431 [0,1,0,1,0,0|1,0,1]=4 45 B8R1.3 Nc1ccc(Cl)nc1 T7234 [0,1,0,1,0,0|2,0,0]=4 46 B8R1.3 O=c1ccc(=O)[nH][nH]1 T20781 [0,1,0,1,0,0|2,0,0]=4 47 B8R1.4 CC1CC=CC(=O)O1 TN3177 [0,1,0,1,0,0|0,0,2]=4 48 B8R1.4 Cc1cccc(O)c1 T33229 [0,1,0,1,0,0|0,0,1]=3 49 B8R1.4 Cc1cccc([O-])c1 T33983 [0,1,0,1,0,0|0,0,1]=3 50 B8R1.4 Fc1cccc(Br)c1 T30352 [0,1,0,1,0,0|1,0,1]=4 51 B8R1.4 Fc1cccc(I)c1 T21183 [0,1,0,1,0,0|1,0,1]=4 52 B8R1.4 Fc1cccc(S)c1 T21187 [0,1,0,1,0,0|0,1,1]=4 53 B8R1.4 Ic1cccc(I)c1 T21145 [0,1,0,1,0,0|1,0,1]=4 54 B8R1.4 O=c1cc[nH]c(=O)[nH]1 T0069 [0,1,0,1,0,0|2,0,0]=4 55 B8R1.4 O=c1cc[nH]c(=[Se])[nH]1 T19103 [0,1,0,1,0,0|2,0,0]=4 56 B8R1.4 Oc1cccc(I)c1 T21200 [0,1,0,1,0,0|0,0,2]=4 57 B8R1.4 Oc1cccc(O)n1 T4720 [0,1,0,1,0,0|1,0,1]=4 58 B8R1.4 Oc1ccnc(O)c1 T7963 [0,1,0,1,0,0|1,0,1]=4 59 B8R1.4 Sc1nccc(=O)[nH]1 T1310 [0,1,0,1,0,0|2,0,0]=4 60 B8R1.7 CC(=O)[c-]1cccc1 T20583 [0,1,0,1,0,0|0,0,2]=4 61 B8R1.7 CC(=O)c1cccs1 T29331 [0,1,0,1,0,0|0,1,0]=3 62 B8R1.7 CC(=O)c1nccs1 T8042 [0,1,0,1,0,0|1,1,0]=4 63 B8R1.7 OC(=O)c1cc[nH]n1 T7842 [0,1,0,1,0,0|2,0,0]=4 64 B8R1.7 OC(=O)c1ccc[nH]1 T4716 [0,1,0,1,0,0|1,0,0]=3 65 B8R1.7 OC(=O)c1ccco1 T5544 [0,1,0,1,0,0|1,0,0]=3 66 B8R1.7 OC(=O)c1ccoc1 T5277 [0,1,0,1,0,0|1,0,1]=4 67 B8R1.18 CC1=CC(=O)OC1=O TN6957 [0,1,0,1,0,0|1,0,0]=3 68 B8R1.18 CC1=C[C@@H](O)NC1=O T32272 [0,1,0,1,0,0|1,0,1]=4 69 B8R1.18 CC1OC(C)=CC1=O T22309 [0,1,0,1,0,0|1,0,1]=4