0 B9R1.11 COC(=O)c1ccco1 T8022 [0,0,0,0,0,0|2,0,0]=2 1 B8R1.7 O=C(O)C1=NC=NN1 T1371 [1,0,0,0,0,0|3,0,0]=4 2 B8R1.7 O=C(O)c1ccco1 T5544 [1,0,0,0,0,0|2,0,0]=3 3 B8R1.7 O=C(O)c1ccoc1 T5277 [1,0,0,0,0,0|3,0,0]=4 4 B8R1.7 O=[N+]([O-])C1=NC=CN1 T6402 [1,0,0,0,0,0|3,0,0]=4 5 B10R1.15 C=CC(=O)C1=CC=CC=C1 T20607 [0,0,0,0,0,1|1,0,2]=4 6 B10R1.15 CNC(=O)c1cccnc1 T5233 [0,0,0,0,0,1|1,0,1]=3 7 B10R1.15 COC(=O)C1=CCCNC1 T5805 [0,0,0,0,0,1|1,0,2]=4 8 B10R1.15 COC(=O)c1cccnc1 T5562 [0,0,0,0,0,1|1,0,1]=3 9 B10R1.15 NNC(=O)C1=CC=CC=N1 T1374 [0,0,0,0,0,1|2,0,1]=4 10 B10R1.15 NNC(=O)c1cccnc1 T0664 [0,0,0,0,0,1|2,0,1]=4 11 B10R1.15 NNC(=O)c1ccncc1 T0972 [0,0,0,0,0,1|3,0,0]=4 12 B7R0.4 C\C=C\C=C\C(=O)O T8019 [1,0,1,0,0,0|2,0,0]=4 13 B7R0.4 C\C=C\C=C\C(=O)[O-] T4807 [1,0,1,0,0,0|2,0,0]=4 14 B9R1.12 CNCCC1=CN=CN1 T23038 [1,1,0,0,0,0|1,0,1]=4 15 B11R1.16 CCOC(=O)C1=CCCNC1 TJS0123 [0,1,0,0,0,1|0,0,2]=4 16 B11R1.16 O=C(CCCl)c1ccccc1 T1342 [0,1,0,0,0,1|1,0,0]=3 17 B11R1.16 O=C(NCO)c1cccnc1 T7869 [0,1,0,0,0,1|1,0,1]=4 18 B11R1.22 CCC(=O)c1ccc(O)cc1 T0021 [0,1,0,0,0,1|1,0,0]=3 19 B11R1.22 COC(=O)c1ccc(O)cc1 T3728 [0,1,0,0,0,1|2,0,0]=4 20 B11R1.22 O=C(CBr)c1ccc(O)cc1 T7084 [0,1,0,0,0,1|2,0,0]=4 21 B11R1.23 COC(=O)c1cncc(C)c1 T0548 [0,1,0,0,0,1|1,0,1]=4 22 B11R1.222 COC(=O)C1=NC=CN=C1N T22363 [0,1,0,0,0,1|1,0,1]=4 23 B11R1.222 COC(=O)c1ccccc1N TN1925 [0,1,0,0,0,1|2,0,0]=4 24 B11R1.222 COC(=O)c1ccccc1O T0399 [0,1,0,0,0,1|2,0,0]=4 25 B11R2.1 O=C1CCc2ccccc21 T0564 [0,0,0,1,0,1|1,0,0]=3 26 B9R1.6 CC(=O)c1ccccc1 T7446 [1,0,0,0,0,1|1,0,0]=3 27 B9R1.6 CC(=O)c1cnccn1 T5596 [1,0,0,0,0,1|0,0,1]=3 28 B9R1.6 NC(=O)C1=CC=CC=C1 T6780 [1,0,0,0,0,1|2,0,0]=4 29 B9R1.6 NC(=O)C1=CC=CC=N1 T6942 [1,0,0,0,0,1|1,0,1]=4 30 B9R1.6 NC(=O)C1=CC=NC=C1 T0552 [1,0,0,0,0,1|2,0,0]=4 31 B9R1.6 NC(=O)C1=CN=CC=C1 T0934 [1,0,0,0,0,1|1,0,1]=4 32 B9R1.6 NC(=O)c1cnccn1 T1426 [1,0,0,0,0,1|1,0,1]=4 33 B9R1.6 O=C(O)c1ccccc1 T0833 [1,0,0,0,0,1|2,0,0]=4 34 B9R1.6 O=C(O)c1ccccn1 T4850 [1,0,0,0,0,1|1,0,1]=4 35 B9R1.6 O=C(O)c1cccnc1 T0879 [1,0,0,0,0,1|1,0,1]=4 36 B9R1.6 O=C(O)c1ccncc1 Fr13756 [1,0,0,0,0,1|2,0,0]=4 37 B9R1.6 O=C(O)c1cnccn1 T0569 [1,0,0,0,0,1|1,0,1]=4 38 B9R1.6 O=C([O-])c1ccccc1 T8124 [1,0,0,0,0,1|2,0,0]=4 39 B9R1.6 O=C([O-])c1ccccn1 T4575 [1,0,0,0,0,1|1,0,1]=4