0 B14R2.19 NC1=CN(CC2=CC=CC=C2)N=C1 10173 [0,0,0,0,0,0|4,0,0]=4 1 B14R2.19 NC1=NC=C(CC2=CC=CC=C2)N1 L20079 [0,0,0,0,0,0|1,0,3]=4 2 B14R2.19 NC1=NNC(CC2=CC=CC=C2)=C1 O32250 [0,0,0,0,0,0|3,0,1]=4 3 B14R2.19 N[C@@H]1CCN(CC2=CC=CC=C2)C1 P42544 [0,0,0,0,0,0|3,0,1]=4 4 B14R2.19 O=C1CC(CC2=CC=CC=C2)CO1 P51671 [0,0,0,0,0,0|2,0,0]=2 5 B14R2.19 O=C1CCN(CC2=CC=CC=C2)C1 I-9140 [0,0,0,0,0,0|4,0,0]=4 6 B14R2.19 S=C1N[C@@H](CC2=CC=CC=C2)CS1 O31172 [0,0,0,0,0,0|1,1,1]=3 7 B13R2.64 C1=CC=C(CC2CCCN2)C=C1 O28725 [1,0,0,0,0,0|1,0,2]=4 8 B13R2.64 C1=CC=C(CC2CCNC2)C=C1 O28255 [1,0,0,0,0,0|2,0,1]=4 9 B13R2.64 C1=CC=C(CN2C=CC=N2)C=C1 P42997 [1,0,0,0,0,0|2,0,1]=4 10 B13R2.64 C1=CC=C(C[C@@H]2CCCN2)C=C1 P34775 [1,0,0,0,0,0|1,0,2]=4 11 B13R2.64 C1=CC=C(C[C@H]2CCCN2)C=C1 M23194 [1,0,0,0,0,0|1,0,2]=4 12 B15R2.314 NC1=NN(CC2=CC=CC=C2)C=C1F Q53124 [0,1,0,0,0,0|2,0,1]=4 13 B15R2.325 CC1=CC(N)=NN1CC2=CC=CC=C2 S72598 [0,1,0,0,0,0|2,0,1]=4 14 B13R1.337 O=C(Cl)OCCOC1=CC=CC=C1 O31532 [0,0,1,0,0,0|3,0,0]=4 15 B13R1.348 NC(CC(=O)O)CC1=CC=CC=C1 O28897 [0,0,1,0,0,0|3,0,0]=4 16 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=CC=C1 P41730 [0,0,1,0,0,0|3,0,0]=4 17 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=CC=C1 Q68980 [0,0,1,0,0,0|3,0,0]=4 18 B13R1.348 N[C@H](CC(=O)O)CC1=CC=CC=C1 P39247 [0,0,1,0,0,0|3,0,0]=4 19 B13R1.348 N[C@H](CC(=O)O)CC1=CC=CC=C1 Q68981 [0,0,1,0,0,0|3,0,0]=4 20 B13R1.718 COC(=O)COCC1=CC=CC=C1 Q66011 [0,0,1,0,0,0|3,0,0]=4 21 B13R2.10 NC1=NC(C2=CC=CC=C2)=CO1 O29740 [0,0,0,0,1,0|0,0,2]=3 22 B13R2.10 NC1=NC(C2=CC=CC=C2)=CS1 P39998 [0,0,0,0,1,0|0,1,2]=4 23 B13R2.10 NC1=NNC(C2=CC=CC=C2)=N1 O34051 [0,0,0,0,1,0|2,0,1]=4 24 B13R2.10 O=C1CC[C@@H](C2=CC=CC=C2)N1 P45465 [0,0,0,0,1,0|2,0,1]=4 25 B13R2.10 S=C1N[C@H](C2=CC=CC=C2)CS1 Q54186 [0,0,0,0,1,0|1,1,1]=4 26 B13R2.31 NC1CN(CC2=CC=CC=C2)C1 F-4642 [0,0,0,0,1,0|2,0,1]=4 27 B13R2.31 NC1CN(CC2=CC=CC=C2)C1 G-7010 [0,0,0,0,1,0|2,0,1]=4 28 B13R2.31 O=C1CC(OC2=CC=CC=C2)C1 I-9905 [0,0,0,0,1,0|3,0,0]=4 29 B15R2.29 NC1CCC(CC2=CC=CC=C2)CC1 P43108 [0,0,0,0,0,1|2,0,1]=4 30 B15R2.283 N[C@@H]1CC[C@@H](OCC2=CC=CC=C2)C1 Q57025 [0,0,0,0,0,1|2,0,1]=4 31 B15R2.283 N[C@H]1CC[C@@H](OCC2=CC=CC=C2)C1 Q57024 [0,0,0,0,0,1|2,0,1]=4 32 B15R2.283 O=C1CCC(OCC2=CC=CC=C2)C1 Q55722 [0,0,0,0,0,1|3,0,0]=4 33 B12R1.8 NCCCCCC1=CC=CC=C1 P40466 [1,0,1,0,0,0|1,0,1]=4 34 B12R1.118 NCC(CO)CC1=CC=CN=C1 Q58251 [1,0,1,0,0,0|1,0,1]=4 35 B12R1.118 NCC(CO)CC1=CC=NC=C1 Q58252 [1,0,1,0,0,0|1,0,1]=4 36 B14R1.423 NC(=O)OC[C@H](N)CC1=CC=CC=C1 Q69522 [0,1,1,0,0,0|0,0,1]=3 37 B16R2.2334 NCC1=NC(COC2=CC=CC=C2)=NO1 L19477 [0,1,0,0,0,1|1,0,1]=4 38 B14R2.768 O=C(O)CC1CC2=C(C=CC=C2)C1 P38431 [0,0,1,1,0,0|2,0,0]=4 39 B12R1.43 CC(CC1=CC=CN=C1)C(=O)O P43046 [0,0,1,0,1,0|2,0,0]=4 40 B12R1.43 CC(CC1=CC=NC=C1)C(=O)O Q60576 [0,0,1,0,1,0|2,0,0]=4 41 B12R1.43 CC(CC1=NC=CC=C1)C(=O)O P43045 [0,0,1,0,1,0|2,0,0]=4 42 B12R1.43 C[C@H](OC1=CC=CC=C1)C(=O)O K12054 [0,0,1,0,1,0|2,0,0]=4 43 B12R1.27 COC(=O)CNC1=CC=CC=C1 P39503 [0,0,1,0,1,0|2,0,0]=4 44 B12R1.27 COC(=O)NCC1=CC=CC=C1 O34236 [0,0,1,0,1,0|1,0,1]=4 45 B12R2.2058 C1=CC=C(CC2CNC2)C=C1 M22647 [1,0,0,0,1,0|1,0,1]=4 46 B12R2.22 NC1CC(C2=CC=CC=C2)C1 L13852 [0,0,0,0,2,0|1,0,1]=4 47 B12R2.22 N[C@H]1C[C@@H](C2=CC=CC=C2)C1 I-9024 [0,0,0,0,2,0|1,0,1]=4 48 B12R2.22 N[C@H]1C[C@H](C2=CC=CC=C2)C1 I-9025 [0,0,0,0,2,0|1,0,1]=4 49 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 O30293 [0,0,0,0,2,0|2,0,0]=4 50 B12R2.22 O=C1CC(C2=CC=CC=C2)N1 D-2509 [0,0,0,0,2,0|1,0,1]=4 51 B12R2.23 O=C1CCC1C2=CC=CC=C2 F-4430 [0,0,0,0,2,0|2,0,0]=4