0 B10R1.13 CC(=O)C1=NC=C(C)C=C1 4032792 [0,0,0,0,0,0|2,0,2]=4 1 B10R1.13 CC(C)C1=CN=C(Cl)N=C1 4043859 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.13 CC(C)C1=CNC(=O)N=C1 4044144 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.13 CC(N)C1=CC=C(O)C=C1 4026855 [0,0,0,0,0,0|2,0,2]=4 4 B10R1.13 CC(N)C1=CC=C(O)C=C1 4088847 [0,0,0,0,0,0|2,0,2]=4 5 B10R1.13 CC1=CN=C(C(C)N)C=C1 4032650 [0,0,0,0,0,0|2,0,1]=3 6 B10R1.13 CN(C)C1=NC=C(N)C=C1 4108176 [0,0,0,0,0,0|3,0,1]=4 7 B9R1.1 CC1=CCC(CO)CC1 4031964 [1,0,0,0,0,0|1,0,2]=4 8 B9R1.1 CC1=CN=C(CO)C=N1 4037601 [1,0,0,0,0,0|3,0,0]=4 9 B9R1.1 CC1=NC=C(CCl)N=C1 4081395 [1,0,0,0,0,0|3,0,0]=4 10 B9R1.6 CC(N)C1=CCCCC1 4019757 [1,0,0,0,0,0|1,0,2]=4 11 B11R1.3 CCC1=CC=C(C(C)N)C=C1 4003786 [0,1,0,0,0,0|1,0,2]=4 12 B11R1.3 CCC1=CC=C(C(C)N)C=C1 4087794 [0,1,0,0,0,0|1,0,2]=4 13 B11R1.3 CCC1=CC=C([C@@H](C)N)C=C1 4106468 [0,1,0,0,0,0|1,0,2]=4 14 B11R1.3 CCC1=CC=C([C@H](C)N)C=C1 4092777 [0,1,0,0,0,0|1,0,2]=4 15 B11R1.3 CN(C)C1=NC=C(CO)C=C1 4036033 [0,1,0,0,0,0|2,0,1]=4 16 B11R1.21 CC(C)C1=CC(N)=C(O)C=C1 4030757 [0,1,0,0,0,0|1,0,2]=4 17 B11R1.21 CC1=C(C)C=C(C(C)N)C=C1 4003760 [0,1,0,0,0,0|1,0,2]=4 18 B11R1.21 CC1=C(N)C=C(N(C)C)C=C1 4033478 [0,1,0,0,0,0|1,0,2]=4 19 B11R1.21 CC1=C(N)C=C(N(C)C)C=C1 4087931 [0,1,0,0,0,0|1,0,2]=4 20 B11R1.21 CC1=CC=C([C@@H](C)N)C=C1C 4099868 [0,1,0,0,0,0|1,0,2]=4 21 B11R1.21 CC1=CC=C([C@H](C)N)C=C1C 4091453 [0,1,0,0,0,0|1,0,2]=4 22 B11R1.22 CCC(N)C1=CC=C(C)C=C1 4006321 [0,1,0,0,0,0|1,0,2]=4 23 B11R1.22 CCC(N)C1=CC=C(C)C=C1 4089191 [0,1,0,0,0,0|1,0,2]=4 24 B11R1.22 CCC(N)C1=NC=C(C)C=C1 4034627 [0,1,0,0,0,0|2,0,1]=4 25 B11R1.22 CCC(N)C1=NC=C(C)C=C1 4089751 [0,1,0,0,0,0|2,0,1]=4 26 B11R1.22 CNC(C)C1=CC=C(Cl)C=C1 5588069 [0,1,0,0,0,0|1,0,2]=4 27 B11R1.22 CNC(C)C1=CC=C(F)C=C1 4027169 [0,1,0,0,0,0|1,0,2]=4 28 B11R1.22 CNC(C)C1=CC=C(F)C=C1 4090293 [0,1,0,0,0,0|1,0,2]=4 29 B11R1.166 CC1=CC(N)=C(N(C)C)C=C1 4027551 [0,1,0,0,0,0|1,0,2]=4 30 B11R1.166 CC1=CC(N)=C(N(C)C)C=C1 4091007 [0,1,0,0,0,0|1,0,2]=4 31 B11R2.34 BrC1=CC=C(C2CC2)C=C1 4022408 [0,0,0,1,0,0|1,0,2]=4 32 B9R1.35 CC(=O)C1=CC(C)=CS1 4004647 [0,0,0,0,1,0|2,0,1]=4 33 B9R1.35 CC(C)C1=CSC(N)=N1 4030723 [0,0,0,0,1,0|3,0,0]=4 34 B9R1.35 CC(C)C1=NC=C(Br)N1 4042592 [0,0,0,0,1,0|3,0,0]=4 35 B9R1.35 CC(C)C1=NOC(N)=C1 4027949 [0,0,0,0,1,0|3,0,0]=4 36 B9R1.35 CC(C)N1C=C(N)C=N1 4034099 [0,0,0,0,1,0|3,0,0]=4 37 B9R1.35 CC(C)N1CCC(=O)C1 4085392 [0,0,0,0,1,0|2,0,1]=4 38 B9R1.35 CC(N)C1=CN(C)N=C1 4002407 [0,0,0,0,1,0|3,0,0]=4 39 B9R1.35 CC1=CNC(C(C)N)=N1 4101885 [0,0,0,0,1,0|3,0,0]=4 40 B9R1.35 CC1=CSC(C(C)N)=N1 4087959 [0,0,0,0,1,0|3,0,0]=4 41 B9R1.35 CC1=CSC(C(C)N)=N1 4101074 [0,0,0,0,1,0|3,0,0]=4 42 B9R1.35 CC1=NC(C(C)N)=CS1 4088179 [0,0,0,0,1,0|3,0,0]=4 43 B9R1.35 CC1=NC(C(C)N)=CS1 4101060 [0,0,0,0,1,0|3,0,0]=4 44 B9R1.35 CC1=NNC(C(C)C)=C1 4035799 [0,0,0,0,1,0|2,0,0]=3 45 B9R1.35 CC1=NNC(C(C)C)=C1 4091031 [0,0,0,0,1,0|2,0,0]=3 46 B11R1.20 CC(C)NC1=CC=C(Br)C=C1 4089951 [0,0,0,0,0,1|1,0,2]=4 47 B11R1.20 CC(C)NC1=CC=C(Br)C=C1 5940253 [0,0,0,0,0,1|1,0,2]=4 48 B10R1.1 CNCC1=CC=C(C)C=C1 4004536 [1,1,0,0,0,0|0,0,2]=4 49 B10R1.3 CCC1=CN=C(CO)C=C1 4011741 [1,1,0,0,0,0|1,0,1]=4 50 B10R1.25 CCC1=CC=C(C)C=C1O 4024388 [1,1,0,0,0,0|0,0,2]=4 51 B10R1.15 CNC(C)C1=CN=CC=C1 4089365 [1,1,0,0,0,0|1,0,1]=4 52 B10R1.15 CNC(C)C1=CN=CC=C1 4102793 [1,1,0,0,0,0|1,0,1]=4 53 B10R1.15 CNC(C)C1=NC=CC=C1 4090171 [1,1,0,0,0,0|1,0,1]=4 54 B10R1.15 CNC(C)C1=NC=CC=C1 4102794 [1,1,0,0,0,0|1,0,1]=4 55 B10R1.113 CC(C)C1=CC=CC(Br)=C1 4045144 [1,1,0,0,0,0|0,0,2]=4 56 B10R1.113 CC(C)C1=CC=CC(Br)=N1 4037569 [1,1,0,0,0,0|1,0,1]=4 57 B10R1.113 CC(C)C1=CC=CC(O)=N1 4039550 [1,1,0,0,0,0|1,0,1]=4 58 B10R1.14 CC1=CN(C(C)CO)N=C1 4027685 [0,1,0,0,1,0|2,0,0]=4 59 B10R1.14 CC1=CSC(C(C)CN)=N1 4033584 [0,1,0,0,1,0|2,0,0]=4 60 B10R1.31 CC(C)C1=CC(CCl)=NO1 4028985 [0,1,0,0,1,0|2,0,0]=4 61 B10R1.31 CC(C)C1=CC(CN)=NO1 4031999 [0,1,0,0,1,0|2,0,0]=4 62 B10R1.31 CC(C)C1=CC(CO)=NO1 4028861 [0,1,0,0,1,0|2,0,0]=4 63 B10R1.31 CC(C)C1=NC(CO)=CO1 4038512 [0,1,0,0,1,0|2,0,0]=4 64 B10R1.31 CC(C)C1=NOC(CCl)=C1 4032211 [0,1,0,0,1,0|2,0,0]=4 65 B10R1.31 CC(C)C1=NOC(CN)=C1 4010756 [0,1,0,0,1,0|2,0,0]=4 66 B10R1.31 CC(C)C1=NOC(CO)=C1 4012493 [0,1,0,0,1,0|2,0,0]=4 67 B10R1.31 CC(C)N1C=C(CN)C=N1 4089583 [0,1,0,0,1,0|2,0,0]=4 68 B10R1.31 CC(C)N1C=C(CO)C=N1 4015218 [0,1,0,0,1,0|2,0,0]=4 69 B10R1.194 CC1=C(N)N(C(C)C)N=C1 4035128 [0,1,0,0,1,0|2,0,0]=4 70 B12R1.5 CNC(C)C1=CC=C(OC)C=C1 4004541 [0,2,0,0,0,0|0,0,2]=4 71 B12R1.5 CNC(C)C1=CC=C(OC)C=C1 4089152 [0,2,0,0,0,0|0,0,2]=4 72 B12R1.6 COC1=CC=C(C(C)(C)N)C=C1 4013953 [0,2,0,0,0,0|0,0,2]=4 73 B12R1.256 CC(C)C1=CC=C([C@@H](C)N)C=C1 4099628 [0,2,0,0,0,0|0,0,2]=4 74 B12R1.256 CC(C)C1=CC=C([C@H](C)N)C=C1 4096619 [0,2,0,0,0,0|0,0,2]=4 75 B10R2.14 CC1=NNC(C2CC2)=C1 4035392 [0,0,0,1,1,0|2,0,0]=4 76 B12R2.290 CC1=CC=C(C2(N)CC2)C=C1 4032241 [0,1,0,1,0,0|0,0,2]=4 77 B8R0.23 CC(=O)CC(=O)C(C)C 4036300 [0,0,1,0,1,0|2,0,0]=4 78 B8R0.23 CC(=O)CN(C)C(C)C 4028473 [0,0,1,0,1,0|2,0,0]=4 79 B8R1.7 CC(C)C1=CNN=C1 4039228 [1,0,0,0,1,0|2,0,0]=4 80 B8R1.7 CC(C)C1C=CCN1 4030034 [1,0,0,0,1,0|1,0,1]=4 81 B8R1.7 CC(N)C1=CC=CS1 4100658 [1,0,0,0,1,0|2,0,0]=4 82 B8R1.7 CC(N)C1=CSC=C1 4100800 [1,0,0,0,1,0|2,0,0]=4 83 B12R1.21 CC1=CC=C(CNC(C)C)C=C1 4017387 [0,0,0,0,0,2|0,0,2]=4