0 B9R1.41 CC(=O)C1=CN=NN1C 4110788 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.41 CC1=C(C(=O)O)N=CS1 4043076 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.41 CC1=C(C(=O)O)OC=N1 4401487 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.41 CC1=C(C(=O)O)SC=C1 3020058 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.41 CN1C=CC=C1C(=O)O 3020106 [0,0,0,0,0,0|1,0,0]=1 5 B9R1.41 CN1CC=CC1C(=O)O 4029308 [0,0,0,0,0,0|1,0,2]=3 6 B9R1.41 NC(=O)C1=C(N)SC=C1 3014696 [0,0,0,0,0,0|4,0,0]=4 7 B8R1.7 CC(C)C1=CC=NN1 4040291 [1,0,0,0,0,0|2,0,1]=4 8 B8R1.7 N=C(N)C1=CC=CO1 4088503 [1,0,0,0,0,0|3,0,0]=4 9 B8R1.11 CN1C=CN=C1CN 4090095 [1,0,0,0,0,0|2,0,1]=4 10 B8R1.11 CN1C=CN=C1NN 4061388 [1,0,0,0,0,0|3,0,0]=4 11 B8R1.11 CN1C=NC=C1CCl 4088903 [1,0,0,0,0,0|2,0,1]=4 12 B8R1.11 CN1N=CC=C1CCl 4089161 [1,0,0,0,0,0|2,0,1]=4 13 B10R1.39 CCN1N=CC=C1C(C)=O 4030142 [0,1,0,0,0,0|1,0,0]=2 14 B10R1.39 O=C(O)C1=C(CBr)OC=C1 4104018 [0,1,0,0,0,0|3,0,0]=4 15 B10R1.59 CC(=O)C1=C(C)SC(C)=N1 4089989 [0,1,0,0,0,0|3,0,0]=4 16 B10R1.59 CC(=O)C1=CN(C)N=C1C 4002405 [0,1,0,0,0,0|3,0,0]=4 17 B10R1.59 CC(=O)C1=NC(Br)=NN1C 4110690 [0,1,0,0,0,0|2,0,0]=3 18 B10R1.59 CC1=NN(C)C(C(=O)[O-])=N1 4085781 [0,1,0,0,0,0|3,0,0]=4 19 B10R1.149 CN1C=CN=C1C(O)CN 4004009 [0,1,0,0,0,0|1,0,2]=4 20 B10R1.149 COC(=O)C1=C(C)NC=N1 4044514 [0,1,0,0,0,0|3,0,0]=4 21 B10R1.149 COC(=O)C1=C(N)SC=C1 3001619 [0,1,0,0,0,0|3,0,0]=4 22 B10R1.192 CN1N=NC(Br)=C1C(=O)O 4110691 [0,1,0,0,0,0|3,0,0]=4 23 B10R1.192 CN1N=NC(Cl)=C1C(=O)O 4110782 [0,1,0,0,0,0|3,0,0]=4 24 B10R1.194 CC1=C(C)C(C(=O)O)=CS1 3002457 [0,1,0,0,0,0|3,0,0]=4 25 B10R1.194 CC1=CC=C(C(=O)O)N1C 4028920 [0,1,0,0,0,0|1,0,0]=2 26 B10R1.61 CC(=O)C1=CC=CN=C1Cl 4031453 [0,0,0,0,0,1|2,0,0]=3 27 B10R1.113 CC1=CC=CC(C(C)N)=C1 3001756 [0,0,0,0,0,1|2,0,1]=4 28 B10R1.113 CC1=CC=CC([C@@H](C)N)=C1 4095694 [0,0,0,0,0,1|2,0,1]=4 29 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 4099223 [0,0,0,0,0,1|2,0,1]=4 30 B7R1.1 O=CC1=CC=NS1 4030495 [2,0,0,0,0,0|2,0,0]=4 31 B7R1.1 O=CC1=CN=NN1 4301610 [2,0,0,0,0,0|2,0,0]=4 32 B7R1.4 CN1C=CN=C1N 4090307 [2,0,0,0,0,0|2,0,0]=4 33 B9R1.11 CCC(=O)C1=CC=CS1 3020389 [1,1,0,0,0,0|1,0,0]=3 34 B9R1.11 COC(=O)C1C=CCN1 4028931 [1,1,0,0,0,0|0,0,2]=4 35 B9R1.35 CC1=CC=C(C(=O)O)S1 3001579 [1,1,0,0,0,0|2,0,0]=4 36 B9R1.35 CC1=CNC(C(=O)O)=N1 4088804 [1,1,0,0,0,0|2,0,0]=4 37 B9R1.35 O=C(O)C1=CC(Br)=CS1 3013954 [1,1,0,0,0,0|2,0,0]=4 38 B9R1.27 CC1=C(C=O)N(C)N=C1 4028990 [1,1,0,0,0,0|1,0,0]=3 39 B9R1.27 CN1N=NC(Br)=C1C=O 4110687 [1,1,0,0,0,0|2,0,0]=4 40 B9R1.33 CNCC1=NC=CN1C 4088714 [1,1,0,0,0,0|1,0,1]=4 41 B11R1.53 NCC1=CC=CC=C1C(=O)O 4090789 [0,1,0,0,0,1|2,0,0]=4 42 B11R1.166 CC(=O)C1=CNC(=O)N=C1C 4090304 [0,1,0,0,0,1|2,0,0]=4 43 B11R1.166 CC1=CC(C)=C(C(=O)O)C=N1 4089795 [0,1,0,0,0,1|2,0,0]=4 44 B11R1.178 O=C(O)C1=CC=NN1C(F)F 4031630 [0,2,0,0,0,0|2,0,0]=4 45 B11R1.193 O=C(O)C1=CC=NN1CCO 4047989 [0,2,0,0,0,0|2,0,0]=4 46 B11R1.471 CCN1N=CC(Br)=C1C(=O)O 3002127 [0,2,0,0,0,0|2,0,0]=4 47 B11R1.673 CC1=NN(C)C(C(=O)O)=C1C 4042991 [0,2,0,0,0,0|2,0,0]=4 48 B11R1.875 COC(=O)C1=C(N)C=NN1C 4045213 [0,2,0,0,0,0|1,0,0]=3 49 B9R1.2 CC1=CC=CC(NN)=N1 4089071 [0,0,1,1,0,0|2,0,0]=4 50 B9R1.2 CNC1=CC(Cl)=CC=C1 3020438 [0,0,1,1,0,0|1,0,1]=4 51 B11R2.106 CC1NCCN2C=CC=C12 4090624 [0,1,0,1,0,0|1,0,1]=4 52 B11R1.90 CN1C=CC=C1CCC(=O)O 4043736 [0,0,0,0,0,2|1,0,0]=3