0 B6R0.3 COC(=O)[C@H](C)Br AT21844 [0,0,0,0,0,0|1,0,1]=2 1 B5R0.1 C=C(C)C#CC AT18764 [1,0,0,0,0,0|1,0,1]=3 2 B5R0.1 COCC(=N)N D87837 [1,0,0,0,0,0|2,0,1]=4 3 B5R0.5 CC(=O)[C@H](C)N 91521 [1,0,0,0,0,0|1,0,1]=3 4 B5R0.5 [13CH3][13C@H]([15NH2])[13C](=O)O D98095 [1,0,0,0,0,0|1,0,1]=3 5 B7R0.10 COC(=O)[C@@H](F)CN 94838 [0,1,0,0,0,0|1,0,1]=3 6 B7R0.10 COC(=O)[C@@H](F)CN AT15554 [0,1,0,0,0,0|1,0,1]=3 7 B7R0.10 COC(=O)[C@@H](N)CF AT23056 [0,1,0,0,0,0|1,0,1]=3 8 B7R0.10 CON(C)C(=O)CF 78564 [0,1,0,0,0,0|3,0,0]=4 9 B7R0.14 CC(C)(C)C(=O)ON AT24053 [0,1,0,0,0,0|1,0,2]=4 10 B7R1.4 CC1=C(Br)OC=N1 AT18669 [0,0,0,1,0,0|2,0,1]=4 11 B7R1.4 CC1=C(Br)OC=N1 AT18693 [0,0,0,1,0,0|2,0,1]=4 12 B7R1.4 CC1=C(Br)SN=C1 C15876 [0,0,0,1,0,0|2,1,0]=4 13 B7R1.4 CC1=C(N)SN=C1 AT21117 [0,0,0,1,0,0|2,1,0]=4 14 B7R1.4 CC1=CON=C1Br 95082 [0,0,0,1,0,0|3,0,0]=4 15 B7R1.4 C[C@@H]1NCCC1=O AT25613 [0,0,0,1,0,0|2,0,1]=4 16 B7R1.4 C[C@H]1CCNC1=O D72756 [0,0,0,1,0,0|1,0,2]=4 17 B7R1.4 NC1=C(Br)C=NO1 AT19727 [0,0,0,1,0,0|3,0,0]=4 18 B7R1.4 O=C1CCNC1=O AT24684 [0,0,0,1,0,0|2,0,0]=3 19 B7R1.17 CC1(C)CCC1=O P17178 [0,0,0,1,0,0|1,0,2]=4 20 B7R1.17 CC1(C)CNC1=O D72852 [0,0,0,1,0,0|1,0,2]=4 21 B7R1.22 COC(=O)[C@@H]1CN1 63808 [0,0,0,1,0,0|1,0,1]=3 22 B7R1.22 COC(=O)[C@@H]1CN1 63810 [0,0,0,1,0,0|1,0,1]=3 23 B4R0.1 CN(N)C=O D74578 [2,0,0,0,0,0|2,0,0]=4 24 B6R0.1 COCC(=O)CBr AT12825 [1,1,0,0,0,0|1,0,1]=4 25 B6R0.7 [2H][C@@](C)(N)C(=O)O D98482 [1,1,0,0,0,0|1,0,1]=4 26 B6R0.7 [2H][C@@](C)(N)C(=O)O D99309 [1,1,0,0,0,0|1,0,1]=4 27 B8R0.2 COC(=O)[C@@H](C)[C@H](C)N 75023 [0,1,0,0,0,1|1,0,1]=4 28 B8R0.19 COC(=O)CC(=O)CF AT24447 [0,1,0,0,0,1|1,0,0]=3 29 B8R0.19 COC(=O)C[C@H](C)CBr AT23326 [0,1,0,0,0,1|0,0,2]=4 30 B8R0.19 COC(=O)C[C@H](C)CBr AT23327 [0,1,0,0,0,1|0,0,2]=4 31 B8R0.3 C#CC[C@H](N)C(=O)OC AT23617 [0,2,0,0,0,0|1,0,1]=4 32 B8R0.3 C=C(CF)C(=O)OCC C91938 [0,2,0,0,0,0|0,0,0]=2 33 B8R0.3 CCOC(=O)C(C)=[N+]=[N-] AT25590 [0,2,0,0,0,0|1,0,0]=3 34 B8R0.3 COC(=O)[C@@H](C)CCBr AT23330 [0,2,0,0,0,0|0,0,2]=4 35 B8R0.13 COC(=O)C(F)(F)CN AT15559 [0,2,0,0,0,0|1,0,1]=4 36 B8R0.13 COC(=O)[C@@](C)(N)CN F51570 [0,2,0,0,0,0|0,0,2]=4 37 B8R0.13 COC(=O)[C@@](C)(N)CN F51937 [0,2,0,0,0,0|0,0,2]=4 38 B8R0.13 COC(=O)[C@@](C)(N)CO AT18253 [0,2,0,0,0,0|0,0,2]=4 39 B6R1.2 NC1=COC=C1 AC9528 [1,0,0,1,0,0|1,0,1]=4 40 B8R1.1 COC1=CC(Br)=CS1 P19567 [0,0,0,1,0,1|1,1,0]=4 41 B8R1.1 COC1=NC(I)=CS1 AT14886 [0,0,0,1,0,1|1,1,0]=4 42 B8R1.1 COC1=NC=C(I)S1 AT14884 [0,0,0,1,0,1|2,0,0]=4 43 B8R1.4 O=C1C=C(Br)C=CO1 A10539 [0,0,0,1,0,1|1,0,1]=4 44 B8R1.4 O=C1C=C(O)C=CO1 AT26917 [0,0,0,1,0,1|1,0,1]=4 45 B8R1.40 COC(=O)C=C1CC1 AT21192 [0,0,0,1,0,1|0,0,1]=3 46 B8R1.5 O=C1NCCC=C1Br AC9842 [0,1,0,1,0,0|2,0,0]=4 47 B8R1.5 O=C1NCCC=C1Cl 88829 [0,1,0,1,0,0|2,0,0]=4 48 B8R1.5 O=C1NCCOC1=O P10038 [0,1,0,1,0,0|1,0,0]=3 49 B8R1.5 O=C1OC=CC=C1Br AC1746 [0,1,0,1,0,0|1,0,1]=4 50 B8R1.19 C[C@]1(N)CONC1=O D73598 [0,1,0,1,0,0|1,0,1]=4 51 B8R1.37 O=C(OCCl)C1CC1 D85989 [0,1,0,1,0,0|0,0,2]=4 52 B8R1.11 CC1=C(C=O)SN=C1 AT21137 [0,1,0,1,0,0|1,1,0]=4 53 B8R1.11 COC1=C(Br)C=NO1 AT19729 [0,1,0,1,0,0|1,0,1]=4 54 B8R1.11 COC1=NSC=C1Br AT11774 [0,1,0,1,0,0|1,1,0]=4 55 B8R1.11 COC1=NSC=C1I AT11788 [0,1,0,1,0,0|1,1,0]=4 56 B8R1.11 COC1=NSC=C1N AT11779 [0,1,0,1,0,0|1,1,0]=4 57 B8R1.11 NC1=C(C=O)OC=C1 D74825 [0,1,0,1,0,0|1,0,1]=4 58 B8R1.11 O=CC1=C(Cl)C=CO1 AC2692 [0,1,0,1,0,0|1,0,1]=4 59 B8R1.38 COC(=O)C1=CCC1 P16819 [0,1,0,1,0,0|0,0,0]=2 60 B8R1.50 CC1=C(C)C(Br)=NO1 C11053 [0,1,0,1,0,0|2,0,0]=4 61 B8R1.50 CC1=C(I)N(C)N=C1 W18558 [0,1,0,1,0,0|2,0,0]=4 62 B8R1.50 CC1=CNN(C)C1=O AT14042 [0,1,0,1,0,0|1,0,0]=3 63 B8R1.50 CC1=NOC(Br)=C1C AT19747 [0,1,0,1,0,0|2,0,0]=4 64 B8R1.50 CN1CCC(=O)C1=O C77472 [0,1,0,1,0,0|2,0,0]=4 65 B8R1.50 O=C1OC[C@H](O)[C@@H]1Br AC9565 [0,1,0,1,0,0|1,0,1]=4 66 B8R2.38 O=C1OC[C@@H]2C[C@H]12 AT22533 [0,0,0,2,0,0|0,0,2]=4 67 B8R0.9 COC(=O)CC[C@H](C)Br AT23331 [0,0,0,0,0,2|1,0,1]=4 68 B8R0.9 COC(=O)\C=C\C(C)C D77192 [0,0,0,0,0,2|0,0,2]=4