0 B10R1.113 CC(C)C1=CC=NC(O)=N1 4088319 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.113 CC1=CC=CC(C(C)N)=C1 3001756 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.113 CC1=CC=CC([C@@H](C)N)=C1 4095694 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 4099223 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.2 CC1=CC=CC(NN)=N1 4089071 [1,0,0,0,0,0|3,0,0]=4 5 B9R1.2 CC1=NC=CC(CCl)=C1 4089416 [1,0,0,0,0,0|2,0,1]=4 6 B9R1.2 CC1=NC=CC(NN)=C1 4088178 [1,0,0,0,0,0|3,0,0]=4 7 B9R1.2 CCC1=CC=NC(O)=N1 4043209 [1,0,0,0,0,0|1,0,1]=3 8 B9R1.2 O=CC1=CC(O)=NC=N1 4110682 [1,0,0,0,0,0|3,0,0]=4 9 B9R1.6 CC(=O)C1=NC=CN=C1 3020083 [1,0,0,0,0,0|2,0,0]=3 10 B9R1.6 CC(N)C1=CC=NC=C1 3002627 [1,0,0,0,0,0|2,0,1]=4 11 B9R1.6 CC(N)C1=NC=CC=C1 3001612 [1,0,0,0,0,0|2,0,1]=4 12 B11R1.167 CC1=NC(C(=O)O)=C(Cl)C=N1 4019250 [0,1,0,0,0,0|1,0,0]=2 13 B11R1.266 CCC1=NC=CC(C(=O)O)=C1 4036495 [0,1,0,0,0,0|2,0,0]=3 14 B11R1.266 CNC1=NC=CC(C(=O)O)=C1 4015123 [0,1,0,0,0,0|2,0,0]=3 15 B9R1.35 CC1=CC(C(=O)O)=CS1 3002756 [0,0,0,0,1,0|3,0,0]=4 16 B9R1.35 CC1=CC=C(C(=N)N)O1 4090997 [0,0,0,0,1,0|3,0,0]=4 17 B9R1.35 CC1=CC=C(C(=O)O)S1 3001579 [0,0,0,0,1,0|2,0,0]=3 18 B9R1.35 CC1=CNC(C(=O)O)=N1 4088804 [0,0,0,0,1,0|2,0,0]=3 19 B9R1.35 CC1=CNC(C(C)N)=N1 4090866 [0,0,0,0,1,0|2,0,1]=4 20 B9R1.35 CC1=NC(C(=O)O)=CN1 4088219 [0,0,0,0,1,0|1,0,1]=3 21 B9R1.35 CC1=NN=C(C(=O)O)O1 4088445 [0,0,0,0,1,0|3,0,0]=4 22 B9R1.35 CC1=NNC(C(=O)O)=N1 4003911 [0,0,0,0,1,0|2,0,0]=3 23 B9R1.35 CC1=NOC(C(C)N)=N1 4089961 [0,0,0,0,1,0|2,0,1]=4 24 B9R1.35 CN1N=CC(C(=O)O)=N1 4110789 [0,0,0,0,1,0|2,0,0]=3 25 B9R1.35 NC(=O)C1=CSC(Cl)=N1 4036343 [0,0,0,0,1,0|3,0,0]=4 26 B9R1.41 CC(=O)C1=CN=NN1C 4110788 [0,0,0,0,1,0|2,0,0]=3 27 B9R1.41 CC1=C(C(=O)O)N=CS1 4043076 [0,0,0,0,1,0|3,0,0]=4 28 B9R1.41 CC1=C(C(=O)O)OC=N1 4401487 [0,0,0,0,1,0|2,0,0]=3 29 B9R1.41 CC1=C(C(=O)O)SC=C1 3020058 [0,0,0,0,1,0|3,0,0]=4 30 B9R1.41 CN1C=CC=C1C(=O)O 3020106 [0,0,0,0,1,0|3,0,0]=4 31 B9R1.41 NC(=O)C1=C(N)SC=C1 3014696 [0,0,0,0,1,0|3,0,0]=4 32 B8R1.2 NCC1=NC=NC=C1 4102725 [2,0,0,0,0,0|1,0,1]=4 33 B8R1.2 O=CC1=CC=NN=C1 4015481 [2,0,0,0,0,0|2,0,0]=4 34 B10R1.8 CC1=NC(CN)=CC(O)=N1 4091101 [1,1,0,0,0,0|1,0,1]=4 35 B10R1.10 CC1=NC(CCBr)=CC=C1 4088742 [1,1,0,0,0,0|1,0,1]=4 36 B10R1.10 CNCC1=CC(C)=NC=C1 4019510 [1,1,0,0,0,0|1,0,1]=4 37 B10R1.172 COC1=CC(CCl)=NC=C1 4087877 [1,1,0,0,0,0|2,0,0]=4 38 B10R1.172 COC1=CC(CN)=NC=C1 4016645 [1,1,0,0,0,0|2,0,0]=4 39 B10R1.172 COC1=CC(CN)=NC=C1 4091226 [1,1,0,0,0,0|2,0,0]=4 40 B10R1.13 CC(=O)C1=NC=C(C)C=C1 4088632 [1,1,0,0,0,0|1,0,0]=3 41 B10R1.14 CN1C=CC(C(=O)NN)=N1 4035209 [0,1,0,0,1,0|2,0,0]=4 42 B10R1.31 CCC1=CC=C(C(=O)O)N1 4043364 [0,1,0,0,1,0|1,0,1]=4 43 B10R1.31 CCC1=NC(C(=O)O)=CO1 3002816 [0,1,0,0,1,0|2,0,0]=4 44 B10R1.31 CNC1=NC(C(=O)O)=CS1 4088392 [0,1,0,0,1,0|2,0,0]=4 45 B10R1.31 COC1=CC=C(C(=O)O)O1 4001967 [0,1,0,0,1,0|2,0,0]=4 46 B10R1.31 NCC1=CC=C(C(=O)O)O1 4089807 [0,1,0,0,1,0|2,0,0]=4 47 B10R1.31 NCC1=NOC(C(N)=O)=N1 4090917 [0,1,0,0,1,0|2,0,0]=4 48 B10R1.58 CC1=CC(C(=O)O)=NN1C 3002387 [0,1,0,0,1,0|2,0,0]=4 49 B10R1.59 CC(=O)C1=C(C)SC(C)=N1 4089989 [0,1,0,0,1,0|1,0,0]=3 50 B10R1.59 CC(=O)C1=CN(C)N=C1C 4002405 [0,1,0,0,1,0|2,0,0]=4 51 B10R1.59 CC(=O)C1=NC(Br)=NN1C 4110690 [0,1,0,0,1,0|2,0,0]=4 52 B10R1.59 CC(=O)C1=NN(C)C=C1Cl 4030700 [0,1,0,0,1,0|1,0,0]=3 53 B10R1.59 CC1=NC(C(=O)O)=C(C)S1 4029525 [0,1,0,0,1,0|2,0,0]=4 54 B10R1.59 CC1=NC(C(N)=O)=C(N)N1 4027212 [0,1,0,0,1,0|1,0,1]=4 55 B10R1.59 CC1=NN(C)C(C(=O)[O-])=N1 4085781 [0,1,0,0,1,0|2,0,0]=4 56 B10R1.59 CN1C=C(Br)C(C(=O)O)=N1 4035239 [0,1,0,0,1,0|2,0,0]=4 57 B10R1.194 CC1=CC=C(C(=O)O)N1C 4028920 [0,1,0,0,1,0|1,0,1]=4 58 B10R1.39 CCN1N=CC=C1C(C)=O 4030142 [0,1,0,0,1,0|1,0,0]=3 59 B10R1.39 O=C(O)C1=C(CBr)OC=C1 4104018 [0,1,0,0,1,0|2,0,0]=4 60 B10R1.149 COC(=O)C1=C(C)NC=N1 4044514 [0,1,0,0,1,0|1,0,1]=4 61 B10R1.149 COC(=O)C1=C(N)SC=C1 3001619 [0,1,0,0,1,0|2,0,0]=4 62 B12R1.101 CC1=CC(CC(=O)O)=CC(C)=N1 4054900 [0,1,0,0,0,1|2,0,0]=4 63 B12R1.367 CNC(=O)C1=CC(C)=C(N)C=C1 4089172 [0,2,0,0,0,0|2,0,0]=4 64 B12R1.358 COC(=O)C1=NC(N)=NC(Cl)=C1 4110531 [0,2,0,0,0,0|1,0,0]=3 65 B12R1.435 CNC(=O)C1=CC(CN)=CC=C1 4032830 [0,2,0,0,0,0|2,0,0]=4 66 B12R1.279 CCCC1=NC=CC(C(=O)O)=C1 4041134 [0,2,0,0,0,0|2,0,0]=4 67 B12R1.279 COCC1=NC(C(=O)O)=CC=C1 4089419 [0,2,0,0,0,0|2,0,0]=4 68 B8R1.1 CC1=CNC(C=O)=C1 4036719 [1,0,0,0,1,0|2,0,0]=4 69 B8R1.1 CC1=NC(C=O)=CO1 4038328 [1,0,0,0,1,0|1,0,0]=3 70 B8R1.1 CC1=NC=C(C=O)S1 4301186 [1,0,0,0,1,0|1,0,0]=3 71 B8R1.1 CN1C=C(C=O)C=N1 4301129 [1,0,0,0,1,0|2,0,0]=4