0 B8R1.8 CCCC1=CC=CO1 D92136 [0,0,0,0,0,0|2,1,0]=3 1 B8R1.8 CCNC1=CC=CS1 23456 [0,0,0,0,0,0|2,0,0]=2 2 B8R1.8 CNCC1=NC=CS1 27052 [0,0,0,0,0,0|2,0,0]=2 3 B8R1.8 CNCC1=NOC=C1 33339 [0,0,0,0,0,0|4,0,0]=4 4 B8R1.8 CNCC1=NOC=N1 AT10965 [0,0,0,0,0,0|4,0,0]=4 5 B8R1.8 NCCC1=CC=CS1 F14846 [0,0,0,0,0,0|3,0,0]=3 6 B8R1.8 OCCC1=CNC=N1 37556 [0,0,0,0,0,0|4,0,0]=4 7 B7R1.1 CCC1=CC=CN1 D90555 [1,0,0,0,0,0|1,0,1]=3 8 B7R1.1 CCC1=NCCN1 D90467 [1,0,0,0,0,0|1,0,2]=4 9 B7R1.1 CCN1C=CC=C1 F17504 [1,0,0,0,0,0|3,0,0]=4 10 B7R1.1 COC1=CC=CO1 F10347 [1,0,0,0,0,0|1,1,0]=3 11 B7R1.1 CSC1=CC=CS1 77890 [1,0,0,0,0,0|1,1,0]=3 12 B7R1.1 NCC1=CC=CO1 AT17186 [1,0,0,0,0,0|2,1,0]=4 13 B7R1.1 NCC1=CSC=N1 30352 [1,0,0,0,0,0|3,0,0]=4 14 B7R1.1 NCC1=NNC=C1 39435 [1,0,0,0,0,0|3,0,0]=4 15 B7R1.1 NCC1=NNC=C1 W13339 [1,0,0,0,0,0|3,0,0]=4 16 B7R1.1 NCC1=NOC=C1 38445 [1,0,0,0,0,0|3,0,0]=4 17 B7R1.1 OCC1=CNC=N1 W10530 [1,0,0,0,0,0|3,0,0]=4 18 B7R1.1 OCC1=NNC=C1 O10009 [1,0,0,0,0,0|3,0,0]=4 19 B9R1.7 CC1=CSC(CC#N)=N1 AT15789 [0,1,0,0,0,0|2,0,1]=4 20 B9R1.7 CCCC1=NN=C(N)O1 D74004 [0,1,0,0,0,0|2,1,0]=4 21 B9R1.7 CCCC1=NN=C(O)O1 AT18810 [0,1,0,0,0,0|2,1,0]=4 22 B9R1.7 CCOC1=NNC(C)=C1 AT21779 [0,1,0,0,0,0|2,0,0]=3 23 B9R1.7 CCOC1=NNC(C)=C1 AT21780 [0,1,0,0,0,0|2,0,0]=3 24 B9R1.7 CCSC1=NN=C(N)S1 AT18881 [0,1,0,0,0,0|1,1,0]=3 25 B9R1.7 CCSC1=NN=C(S)S1 AT18944 [0,1,0,0,0,0|1,1,0]=3 26 B9R1.7 COCC1=NN=C(S)S1 AT18892 [0,1,0,0,0,0|3,0,0]=4 27 B9R1.11 CCC(=O)C1=CC=CO1 N11989 [0,1,0,0,0,0|2,1,0]=4 28 B9R1.11 CC[C@H](N)C1=CC=CS1 N12365 [0,1,0,0,0,0|2,0,0]=3 29 B9R1.11 COC(=N)C1=CC=CS1 77279 [0,1,0,0,0,0|3,0,0]=4 30 B9R1.13 CC(=O)NC1=CC=CS1 Y10605 [0,1,0,0,0,0|2,0,1]=4 31 B9R1.13 CC(C)CC1=NNC=C1 AC7490 [0,1,0,0,0,0|3,0,0]=4 32 B9R1.13 C[C@H](N)CC1=CC=CS1 AT16733 [0,1,0,0,0,0|2,0,0]=3 33 B9R1.13 C[C@H](N)CN1C=CC=N1 AT12541 [0,1,0,0,0,0|3,0,0]=4 34 B9R1.33 CCCN1N=CC=C1N AT14118 [0,1,0,0,0,0|3,0,0]=4 35 B9R1.8 CCOC1=CN=NC=C1 C16860 [0,0,0,0,0,1|2,0,0]=3 36 B9R1.8 CNCC1=NC=CN=C1 P10399 [0,0,0,0,0,1|3,0,0]=4 37 B9R1.8 CNCC1=NC=NC=C1 AT18327 [0,0,0,0,0,1|3,0,0]=4 38 B9R1.8 CNCC1=NC=NC=C1 I11999 [0,0,0,0,0,1|3,0,0]=4 39 B9R1.8 CSCC1=CN=CC=C1 E72352 [0,0,0,0,0,1|3,0,0]=4 40 B9R1.8 ClCCC1=NC=CC=C1 D83590 [0,0,0,0,0,1|3,0,0]=4 41 B6R0.1 CCOC(=O)C=O D78103 [1,0,1,0,0,0|1,1,0]=4 42 B6R1.2 OC1=NNC=C1 F17284 [2,0,0,0,0,0|2,0,0]=4 43 B6R1.2 OC1=NSC=C1 AT11769 [2,0,0,0,0,0|2,0,0]=4 44 B8R1.1 CCC1=NNC(=S)O1 AT18826 [1,1,0,0,0,0|1,1,0]=4 45 B8R1.1 CCC1=NOC(N)=N1 F52122 [1,1,0,0,0,0|2,0,0]=4 46 B8R1.1 CCN1C=CC(I)=N1 C91456 [1,1,0,0,0,0|2,0,0]=4 47 B8R1.1 COC1=NC(N)=NS1 AT11906 [1,1,0,0,0,0|1,0,0]=3 48 B8R1.7 C=C(C)C1=CC=CS1 AC1467 [1,1,0,0,0,0|1,0,1]=4 49 B8R1.7 CC(C)C1=NNC=N1 AT12264 [1,1,0,0,0,0|2,0,0]=4 50 B8R1.7 C[C@H](N)C1=NN=CS1 AT18924 [1,1,0,0,0,0|1,0,0]=3 51 B8R1.7 C[C@H](O)C1=CC=CO1 F17602 [1,1,0,0,0,0|1,1,0]=4 52 B8R1.7 O=C(Cl)C1=NC=CS1 78817 [1,1,0,0,0,0|1,0,1]=4 53 B10R1.1 CCNC1=NC=C(Br)C=C1 97201 [0,1,0,0,0,1|2,0,0]=4 54 B10R1.1 CCNC1=NC=C(Br)C=N1 92239 [0,1,0,0,0,1|2,0,0]=4 55 B10R1.1 CCOC1=CC=C(Cl)C=C1 D89219 [0,1,0,0,0,1|2,0,0]=4 56 B10R1.1 CCOC1=CC=C(S)C=C1 AT20902 [0,1,0,0,0,1|2,0,0]=4 57 B10R1.1 CCOC1=NC=C(Cl)C=N1 AT18422 [0,1,0,0,0,1|1,0,0]=3 58 B10R1.1 CCOC1=NC=C(F)C=C1 D74953 [0,1,0,0,0,1|1,0,0]=3 59 B10R1.1 CCOC1=NC=C(N)C=C1 O11589 [0,1,0,0,0,1|1,0,0]=3 60 B10R1.4 CCCC1=NC=CN=C1C D91392 [0,1,0,0,0,1|2,0,0]=4 61 B10R1.4 CCOC1=C(Cl)C=CC=C1 D89218 [0,1,0,0,0,1|2,0,0]=4 62 B10R1.4 CCOC1=C(N)C=CC=C1 D91895 [0,1,0,0,0,1|2,0,0]=4 63 B10R1.4 CCOC1=NC=CN=C1Br D83226 [0,1,0,0,0,1|1,0,0]=3 64 B10R1.10 CCNC1=CC(Cl)=NC=N1 W10445 [0,1,0,0,0,1|2,0,0]=4 65 B10R1.10 CCOC1=CC(O)=CC=C1 CK1178 [0,1,0,0,0,1|2,0,0]=4 66 B10R1.10 CCOC1=CN=CC(Cl)=N1 71907 [0,1,0,0,0,1|1,0,0]=3 67 B10R1.17 COCCC1=NC=CC=C1 D91306 [0,1,0,0,0,1|2,0,0]=4 68 B10R1.17 NCCNC1=NC=CC=C1 C78639 [0,1,0,0,0,1|2,0,0]=4 69 B10R1.17 NCCNC1=NC=CC=N1 O12010 [0,1,0,0,0,1|2,0,0]=4 70 B10R1.17 NCCNC1=NC=CN=C1 O12008 [0,1,0,0,0,1|2,0,0]=4 71 B10R1.17 NCCOC1=CN=CC=C1 E71907 [0,1,0,0,0,1|1,0,0]=3 72 B10R1.18 C[C@H](N)CC1=CC=CN=C1 S12145 [0,1,0,0,0,1|2,0,0]=4 73 B10R1.16 CCCSC1=NN=C(N)S1 D72540 [0,2,0,0,0,0|1,1,0]=4 74 B10R1.96 CCCC1=NC(CCl)=CS1 AT15284 [0,2,0,0,0,0|1,0,0]=3 75 B10R1.23 CC(C)[C@H](N)C1=CC=CS1 N12452 [0,2,0,0,0,0|2,0,0]=4 76 B10R1.27 O=C(CCl)NC1=NC=CS1 S12412 [0,2,0,0,0,0|1,0,1]=4 77 B8R1.2 CCC1=CC=CN=C1 D87724 [0,0,1,1,0,0|2,0,0]=4 78 B8R1.2 CCC1=NC=CC=C1 AT23190 [0,0,1,1,0,0|2,0,0]=4 79 B10R2.14 NC1=NN=C(C2CC2)S1 AT18956 [0,1,0,1,0,0|2,0,0]=4