0 B13R1.351 O[C@@H](CCC1=CC=CC=C1)C(F)F SPC-d085 [0,1,0,0,0,0|2,0,1]=4 1 B13R1.718 OC[C@@H](O)COCC1=CC=CC=C1 SPC-t909 [0,1,0,0,0,0|1,0,2]=4 2 B13R1.718 OC[C@H](O)COCC1=CC=CC=C1 SPC-t910 [0,1,0,0,0,0|1,0,2]=4 3 B13R2.10 C[C@H]1CCC(C2=CC=CC=C2)N1 SPC-k317 [0,0,0,1,0,0|2,0,1]=4 4 B13R2.10 O=C1CC[C@@H](C2=CC=CC=C2)N1 SPC-t954 [0,0,0,1,0,0|1,0,0]=2 5 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CS1 SPC-p599 [0,0,0,1,0,0|2,0,0]=3 6 B13R2.10 S=C1N[C@H](C2=CC=CC=C2)CS1 SPC-k343 [0,0,0,1,0,0|2,1,0]=4 7 B13R2.31 OC1CN(CC2=CC=CC=C2)C1 SPC-g270 [0,0,0,1,0,0|2,0,1]=4 8 B13R2.72 O=C(O)C1=CNC2=C1C=CC=C2 SPC-t671 [0,0,0,1,0,0|1,0,2]=4 9 B13R2.423 O=C(O)C1CC1C2=CC=CC=C2 SPC-s881 [0,0,0,1,0,0|0,0,0]=1 10 B13R2.423 O=C(O)[C@@H]1C[C@@H]1C2=CC=CC=C2 SPC-k405 [0,0,0,1,0,0|0,0,0]=1 11 B13R2.423 O=C(O)[C@@H]1C[C@@H]1C2=CC=CC=C2 SPC-s009 [0,0,0,1,0,0|0,0,0]=1 12 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=CC=C2 SPC-n632 [0,0,0,1,0,0|0,0,0]=1 13 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=CC=C2 SPC-s016 [0,0,0,1,0,0|0,0,0]=1 14 B13R2.423 O=C(O)[C@H]1C[C@H]1C2=CC=CC=C2 SPC-s013 [0,0,0,1,0,0|0,0,0]=1 15 B11R1.91 CC(=O)CCC1=CC=CC=C1 SPC-k266 [0,0,0,0,1,0|1,0,0]=2 16 B11R1.91 O=C(O)CCC1=CN=NC=C1 SPC-t412 [0,0,0,0,1,0|2,0,0]=3 17 B11R1.91 O=C(O)CCC1=NN=CC=C1 SPC-v656 [0,0,0,0,1,0|2,0,0]=3 18 B10R1.17 OCCCC1=NC=CC=C1 SPC-g488 [2,0,0,0,0,0|1,0,0]=3 19 B12R1.43 O=[N+]([O-])[C@@H](F)CC1=CC=CC=C1 SPC-d111 [0,1,0,0,1,0|1,0,1]=4 20 B14R1.716 COC(=O)CCNCC1=CC=CC=C1 SPC-t206 [0,1,0,0,0,1|0,0,0]=2 21 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 SPC-t392 [1,0,0,1,0,0|1,0,1]=4 22 B12R2.2 C1=CC=C([C@@H]2CCCO2)C=C1 SPC-k321 [1,0,0,1,0,0|0,0,1]=3 23 B12R2.2 C1=CC=C([C@@H]2CCNC2)C=C1 SPC-n765 [1,0,0,1,0,0|2,0,0]=4 24 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 SPC-n080 [1,0,0,1,0,0|2,0,0]=4 25 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 SPC-t894 [1,0,0,1,0,0|2,0,0]=4 26 B12R2.23 O=C1CC[C@@H]1C2=CC=CC=C2 SPC-i073 [1,0,0,1,0,0|0,0,0]=2 27 B12R2.1081 O=C1CCCC2=C1C=CC=N2 SPC-h229 [1,0,0,1,0,0|1,0,0]=3 28 B12R2.1081 O=C1COCC2=C1C=CC=C2 SPC-j356 [1,0,0,1,0,0|1,0,0]=3 29 B12R2.1081 O=C1NCCC2=C1C=CC=C2 SPC-s102 [1,0,0,1,0,0|1,0,0]=3 30 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 SPC-s949 [0,0,0,1,1,0|1,0,0]=3 31 B12R2.24 O=C1CCC2=C(C=CN=C2)N1 SPC-n926 [0,0,0,1,1,0|2,0,0]=4 32 B12R2.24 O=C1CCC2=CC=CN=C2N1 SPC-m477 [0,0,0,1,1,0|2,0,0]=4 33 B14R2.19 O=C1CCN(CC2=CC=CC=C2)C1 SPC-g437 [0,0,0,1,0,1|1,0,0]=3 34 B14R2.436 O=C1CC(OCC2=CC=CC=C2)C1 SPC-g934 [0,0,0,1,0,1|1,0,0]=3 35 B14R2.436 OC1CC(OCC2=CC=CC=C2)C1 SPC-n027 [0,0,0,1,0,1|1,0,1]=4 36 B14R2.436 O[C@H]1C[C@@H](OCC2=CC=CC=C2)C1 SPC-n344 [0,0,0,1,0,1|1,0,1]=4 37 B14R2.436 O[C@H]1C[C@H](OCC2=CC=CC=C2)C1 SPC-n634 [0,0,0,1,0,1|1,0,1]=4 38 B14R2.68 O=C1CN[C@@H](C2=CC=CC=C2)CO1 SPC-q932 [0,1,0,1,0,0|1,0,0]=3 39 B14R2.287 O=C1CCC(=O)C2=C(C=CC=C2)N1 SPC-q946 [0,1,0,1,0,0|1,0,1]=4 40 B14R2.779 O=C(O)C1CC(C2=CC=CC=C2)C1 SPC-k657 [0,1,0,1,0,0|0,0,0]=2 41 B14R2.4476 O=C(O)[C@H]1C[C@@H]1C2=CC=CC(F)=C2 SPC-u266 [0,1,0,1,0,0|0,0,0]=2 42 B14R2.7974 NC1=CC2=C(C=C1)NC(=O)CCC2 SPC-u386 [0,1,0,1,0,0|1,0,0]=3 43 B14R2.5443 O=C(O)C1CC1C2=C(Cl)C=CC=C2 SPC-m370 [0,1,0,1,0,0|0,0,0]=2 44 B14R2.31 O=C1CC[C@@H]1OCC2=CC=CC=C2 SPC-i303 [0,1,0,1,0,0|2,0,0]=4 45 B14R2.380 NC1=CC2=C(C=C1)CCCC(=O)N2 SPC-k872 [0,1,0,1,0,0|1,0,0]=3 46 B10R1.18 O=C(O)CC1=CN=NC=C1 SPC-j090 [0,0,0,0,2,0|2,0,0]=4