0 B13R2.10 NC1=CC(C2=CC=CC=C2)=NO1 3020101 [0,0,0,0,0,0|2,0,1]=3 1 B14R2.8 NCC1=CC(C2=CC=CC=C2)=NO1 4088581 [0,1,0,0,0,0|2,0,1]=4 2 B14R2.8 NCC1=CSC(C2=CC=CC=C2)=N1 4090603 [0,1,0,0,0,0|2,0,1]=4 3 B14R2.8 NCC1=NC(C2=CC=CC=N2)=NO1 4088227 [0,1,0,0,0,0|2,0,1]=4 4 B14R2.8 NCC1=NOC(C2=CC=CC=C2)=N1 4088406 [0,1,0,0,0,0|2,0,1]=4 5 B14R2.8 O=CC1=NC(C2=CC=CC=C2)=NO1 4012313 [0,1,0,0,0,0|2,0,1]=4 6 B14R2.20 CC1=CC=C(C2=CSC(N)=N2)C=C1 3002528 [0,1,0,0,0,0|0,1,2]=4 7 B14R2.20 NC1=NC(C2=CC=C(Br)C=C2)=CS1 3005044 [0,1,0,0,0,0|0,1,2]=4 8 B14R2.20 NC1=NC(C2=CC=C(Cl)C=C2)=CS1 3002420 [0,1,0,0,0,0|0,1,2]=4 9 B14R2.22 NC1=NC(C2=CC=CC(Br)=C2)=CS1 3005189 [0,1,0,0,0,0|0,1,2]=4 10 B14R2.598 CC1=C(C2=CC=CC=C2)N=C(N)S1 4102420 [0,1,0,0,0,0|0,1,2]=4 11 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 4089836 [0,0,1,0,0,0|3,0,0]=4 12 B12R2.22 N[C@H]1C[C@@H](C2=CC=NC=C2)C1 4077112 [0,0,0,0,1,0|2,0,1]=4 13 B12R2.22 N[C@H]1C[C@@H](C2=CN=CC=C2)C1 4072765 [0,0,0,0,1,0|2,0,1]=4 14 B12R2.22 N[C@H]1C[C@H](C2=CC=NC=C2)C1 4074994 [0,0,0,0,1,0|2,0,1]=4 15 B12R2.22 N[C@H]1C[C@H](C2=CN=CC=C2)C1 4079107 [0,0,0,0,1,0|2,0,1]=4 16 B14R2.19 NC1=NC(CC2=CC=CC=C2)=CS1 4012378 [0,0,0,0,0,1|0,1,2]=4 17 B14R2.68 NC1CCC(C2=CC=CC=C2)CC1 3002131 [0,0,0,0,0,1|2,0,1]=4 18 B11R1.16 CC(CCN)C1=CC=CC=C1 4091158 [1,0,1,0,0,0|1,0,1]=4 19 B11R1.91 N=C(N)CCC1=CC=CC=C1 4091002 [1,0,1,0,0,0|2,0,0]=4 20 B11R1.91 N=C(N)NCC1=CC=CC=C1 4087928 [1,0,1,0,0,0|1,0,1]=4 21 B11R1.91 N=C(N)NCC1=CC=CC=C1 4089197 [1,0,1,0,0,0|1,0,1]=4 22 B13R1.11 COC(=O)CC(N)C1=CC=CC=C1 4089654 [0,1,1,0,0,0|2,0,0]=4 23 B15R2.15 NCC1=NC(CC2=CC=CC=C2)=NO1 4090586 [0,1,0,0,0,1|1,0,1]=4 24 B15R2.59 CC(N)C1=NC(C2=CC=CC=C2)=NO1 4089988 [0,2,0,0,0,0|1,0,1]=4 25 B15R2.66 NCCC1=NC(C2=CC=CC=C2)=NO1 4089877 [0,2,0,0,0,0|1,0,1]=4 26 B15R2.275 CC1=CC=C(C2=NOC(CN)=N2)C=C1 4089852 [0,2,0,0,0,0|1,0,1]=4 27 B15R2.275 NCC1=NC(C2=CC=C(F)C=C2)=NO1 4090885 [0,2,0,0,0,0|1,0,1]=4 28 B15R2.2243 NCC1=NC(C2=C(Cl)C=CC=C2)=NO1 4089234 [0,2,0,0,0,0|1,0,1]=4 29 B15R2.2243 NCC1=NC(C2=CC=CC=C2F)=NO1 4088573 [0,2,0,0,0,0|1,0,1]=4 30 B11R1.36 N=C(N)[C@@H](O)C1=CC=CC=C1 4079011 [0,0,1,0,1,0|2,0,0]=4 31 B11R1.36 N=C(N)[C@H](O)C1=CC=CC=C1 4052271 [0,0,1,0,1,0|2,0,0]=4 32 B11R2.239 C1=CC=C(C2CCN2)C=C1 4019047 [1,0,0,0,1,0|0,0,2]=4 33 B11R2.239 C1=CC=C(C2CNC2)C=C1 4021486 [1,0,0,0,1,0|1,0,1]=4