0 B4R0.1 C#C[C@H](C)O SPC-s670 [0,0,0,0,0,0|2,0,2]=4 1 B4R0.1 C#C[C@H](C)O SPC-t138 [0,0,0,0,0,0|2,0,2]=4 2 B4R0.1 CC(=O)CN SPC-t886 [0,0,0,0,0,0|2,0,0]=2 3 B4R0.1 NC(=O)CI SPC-s873 [0,0,0,0,0,0|3,0,0]=3 4 B3R0.2 CB(O)O SPC-j988 [1,0,0,0,0,0|1,0,1]=3 5 B5R0.1 C[C@@H](N)CCO SPC-g658 [0,1,0,0,0,0|2,0,1]=4 6 B5R0.1 C[C@H](N)CCO SPC-n760 [0,1,0,0,0,0|2,0,1]=4 7 B5R0.3 C=C(CCl)CCl SPC-g310 [0,1,0,0,0,0|3,0,0]=4 8 B5R0.3 C=C(CO)CO SPC-g493 [0,1,0,0,0,0|2,0,0]=3 9 B5R0.3 NC[C@@H](F)CO SPC-s654 [0,1,0,0,0,0|2,0,1]=4 10 B5R0.3 NC[C@H](F)CO SPC-s667 [0,1,0,0,0,0|2,0,1]=4 11 B5R0.4 CC(C)(F)CO SPC-t593 [0,1,0,0,0,0|2,0,1]=4 12 B5R1.2 BrC1COC1 SPC-g331 [0,0,0,1,0,0|2,0,1]=4 13 B5R1.2 ClC1COC1 SPC-s928 [0,0,0,1,0,0|2,0,1]=4 14 B5R1.2 IC1COC1 SPC-a300 [0,0,0,1,0,0|2,0,1]=4 15 B5R1.2 NC1COC1 SPC-a019 [0,0,0,1,0,0|2,0,1]=4 16 B5R1.2 O=C1CCN1 SPC-t120 [0,0,0,1,0,0|2,0,0]=3 17 B5R1.2 O=C1CNC1 SPC-h722 [0,0,0,1,0,0|2,0,0]=3 18 B5R1.2 O=C1CSC1 SPC-a100 [0,0,0,1,0,0|1,1,0]=3 19 B5R1.2 OC1COC1 SPC-a002 [0,0,0,1,0,0|1,0,2]=4 20 B5R1.2 SC1COC1 SPC-h701 [0,0,0,1,0,0|1,1,1]=4 21 B5R1.3 OC[C@H]1CO1 SPC-t630 [0,0,0,1,0,0|1,0,2]=4 22 B5R1.5 CC1(C)CO1 SPC-p106 [0,0,0,1,0,0|2,0,1]=4 23 B4R0.2 C=CCCO SPC-t137 [1,1,0,0,0,0|1,0,1]=4 24 B6R0.1 CCOC(=O)C#N SPC-g163 [0,2,0,0,0,0|1,0,1]=4 25 B6R0.3 CC(C)C(=O)NN SPC-t733 [0,2,0,0,0,0|2,0,0]=4 26 B6R0.3 CON(C)C(C)=O SPC-t100 [0,2,0,0,0,0|1,0,0]=3 27 B6R0.3 CO[C@@H](C)C(=O)O SPC-h233 [0,2,0,0,0,0|1,0,1]=4 28 B6R0.3 CO[C@@H](C)C(=O)O SPC-t778 [0,2,0,0,0,0|1,0,1]=4 29 B4R1.2 OC1CC1 SPC-h306 [1,0,0,1,0,0|1,0,1]=4 30 B6R1.2 CC1=COC=N1 SPC-n151 [0,1,0,1,0,0|2,0,0]=4 31 B6R1.2 IC1=COCC1 SPC-t718 [0,1,0,1,0,0|2,0,0]=4 32 B6R1.2 O=C1C=CCC1 SPC-g207 [0,1,0,1,0,0|2,0,0]=4 33 B6R1.2 O=C1C=CCO1 SPC-t619 [0,1,0,1,0,0|1,0,1]=4 34 B6R1.2 O=C1CCNC1 SPC-g182 [0,1,0,1,0,0|2,0,0]=4 35 B6R1.2 O=C1CCOC1 SPC-g234 [0,1,0,1,0,0|1,0,0]=3 36 B6R1.5 CC1CC(=O)C1 SPC-n075 [0,1,0,1,0,0|2,0,0]=4 37 B6R1.5 CN1CC(=O)C1 SPC-i955 [0,1,0,1,0,0|2,0,0]=4 38 B6R1.5 CN1CC(=O)C1 SPC-p044 [0,1,0,1,0,0|2,0,0]=4 39 B6R1.5 NC1CC(=O)C1 SPC-g768 [0,1,0,1,0,0|2,0,0]=4 40 B6R1.5 O=C1CC(Br)C1 SPC-i596 [0,1,0,1,0,0|2,0,0]=4 41 B6R1.4 C[C@@H]1OCC1=O SPC-p252 [0,1,0,1,0,0|1,0,0]=3 42 B6R1.4 N[C@@H]1CNC1=O SPC-u597 [0,1,0,1,0,0|2,0,0]=4 43 B6R1.4 N[C@H]1CNC1=O SPC-s686 [0,1,0,1,0,0|2,0,0]=4 44 B6R1.4 O=C1CC[C@@H]1Br SPC-u765 [0,1,0,1,0,0|2,0,0]=4 45 B6R1.6 O=CC1COC1 SPC-r007 [0,1,0,1,0,0|1,0,1]=4