0 B6R0.2 CC(C)CB(O)O SPC-r379 [0,0,0,0,0,0|1,0,3]=4 1 B7R0.9 CC(C)(C)CC(=O)Cl SPC-v725 [0,1,0,0,0,0|1,0,2]=4 2 B7R0.9 CC(C)(C)OC(N)=O SPC-g052 [0,1,0,0,0,0|2,0,1]=4 3 B7R1.2 CC1=CC(Cl)=NN1 SPC-j294 [0,0,0,1,0,0|3,0,0]=4 4 B7R1.2 CC1=CC(N)=NN1 SPC-g654 [0,0,0,1,0,0|3,0,0]=4 5 B7R1.2 C[C@@H]1CNC(=O)C1 SPC-r288 [0,0,0,1,0,0|1,0,2]=4 6 B7R1.2 C[C@H]1CNC(=O)C1 SPC-n787 [0,0,0,1,0,0|1,0,2]=4 7 B7R1.2 NC1=CC(O)=NN1 SPC-n036 [0,0,0,1,0,0|3,0,0]=4 8 B7R1.2 O=C1CCC(=O)C1 SPC-h715 [0,0,0,1,0,0|2,0,1]=4 9 B7R1.2 O=C1CNC(=O)C1 SPC-n497 [0,0,0,1,0,0|2,0,1]=4 10 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O SPC-v344 [0,0,0,1,0,0|0,0,2]=3 11 B7R1.12 C[C@@H]1C[C@H]1C(=O)O SPC-t366 [0,0,0,1,0,0|0,0,2]=3 12 B7R1.12 C[C@H]1C[C@H]1C(=O)O SPC-t640 [0,0,0,1,0,0|0,0,2]=3 13 B7R1.12 C[C@H]1C[C@H]1C(=O)O SPC-v485 [0,0,0,1,0,0|0,0,2]=3 14 B7R1.12 O=C(O)C1CC1F SPC-s871 [0,0,0,1,0,0|1,0,2]=4 15 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F SPC-s015 [0,0,0,1,0,0|1,0,2]=4 16 B7R1.12 O=C(O)[C@@H]1C[C@H]1F SPC-s012 [0,0,0,1,0,0|1,0,2]=4 17 B7R1.12 O=C(O)[C@@H]1C[C@H]1F SPC-t365 [0,0,0,1,0,0|1,0,2]=4 18 B7R1.12 O=C(O)[C@H]1C[C@@H]1F SPC-s008 [0,0,0,1,0,0|1,0,2]=4 19 B7R1.12 O=C(O)[C@H]1C[C@H]1F SPC-s005 [0,0,0,1,0,0|1,0,2]=4 20 B7R1.12 O=C(O)[C@H]1C[C@H]1F SPC-t140 [0,0,0,1,0,0|1,0,2]=4 21 B7R1.16 CC1(C)CC(=O)C1 SPC-q743 [0,0,0,1,0,0|1,0,2]=4 22 B7R1.20 O=C(O)CC1CC1 SPC-g479 [0,0,0,1,0,0|0,0,2]=3 23 B7R1.20 O=C(O)C[C@H]1CO1 SPC-v405 [0,0,0,1,0,0|1,0,2]=4 24 B6R0.3 CC[C@@H](Br)C(=O)O SPC-t752 [1,1,0,0,0,0|0,0,2]=4 25 B6R0.3 CC[C@H](Br)C(=O)O SPC-t846 [1,1,0,0,0,0|0,0,2]=4 26 B6R0.3 CN[C@@H](C)C(=O)O SPC-s663 [1,1,0,0,0,0|1,0,1]=4 27 B6R0.3 CO[C@@H](C)C(=O)O SPC-h233 [1,1,0,0,0,0|1,0,1]=4 28 B6R0.3 CO[C@@H](C)C(=O)O SPC-t778 [1,1,0,0,0,0|1,0,1]=4 29 B6R0.4 CC\C=C\C(=O)O SPC-t510 [1,1,0,0,0,0|0,0,0]=2 30 B6R0.5 CC(C)(C)CC=O SPC-v719 [1,1,0,0,0,0|0,0,2]=4 31 B6R0.7 CC(F)(F)C(=O)O SPC-u702 [0,1,0,0,1,0|1,0,1]=4 32 B8R0.24 CC(C)(C)OC(=O)NO SPC-r381 [0,2,0,0,0,0|1,0,1]=4 33 B6R1.2 CC1=CNC=C1 SPC-m068 [1,0,0,1,0,0|1,0,1]=4 34 B6R1.2 CC1=COC=N1 SPC-n151 [1,0,0,1,0,0|1,0,1]=4 35 B6R1.2 NC1=NOC=C1 SPC-j749 [1,0,0,1,0,0|2,0,0]=4 36 B6R1.2 O=C1C=CCC1 SPC-g207 [1,0,0,1,0,0|1,0,0]=3 37 B6R1.2 O=C1C=CCO1 SPC-t619 [1,0,0,1,0,0|0,0,0]=2 38 B6R1.2 O=C1C=CNN1 SPC-p382 [1,0,0,1,0,0|2,0,0]=4 39 B6R1.5 CC1CC(=O)C1 SPC-n075 [1,0,0,1,0,0|0,0,2]=4 40 B6R1.5 CN1CC(=O)C1 SPC-i955 [1,0,0,1,0,0|1,0,1]=4 41 B6R1.5 CN1CC(=O)C1 SPC-p044 [1,0,0,1,0,0|1,0,1]=4 42 B8R1.3 CC1=NC=C(O)C=N1 SPC-r244 [0,0,0,1,0,1|2,0,0]=4 43 B8R1.3 CC1=NN=C(O)C=C1 SPC-g136 [0,0,0,1,0,1|2,0,0]=4 44 B8R1.3 CC1=NN=C(O)C=C1 SPC-t081 [0,0,0,1,0,1|2,0,0]=4 45 B8R1.3 C[C@@H]1C=CC(=O)CC1 SPC-s978 [0,0,0,1,0,1|1,0,1]=4 46 B8R1.23 C=C1CC(C(=O)O)C1 SPC-g775 [0,0,0,1,0,1|0,0,2]=4 47 B8R1.23 CC1CC(C(=O)O)C1 SPC-m202 [0,0,0,1,0,1|0,0,2]=4 48 B8R1.23 CN1CC(C(=O)O)C1 SPC-a114 [0,0,0,1,0,1|1,0,1]=4 49 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 SPC-i346 [0,0,0,1,0,1|0,0,2]=4 50 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 SPC-i384 [0,0,0,1,0,1|0,0,2]=4 51 B8R1.23 O=C1CC(C(=O)O)C1 SPC-g640 [0,0,0,1,0,1|1,0,1]=4 52 B8R1.23 O=C1C[C@@H](C(=O)O)N1 SPC-i679 [0,0,0,1,0,1|1,0,1]=4 53 B8R1.23 O=C1C[C@@H](C(=O)O)O1 SPC-u889 [0,0,0,1,0,1|1,0,1]=4 54 B8R1.23 O=C1C[C@H](C(=O)O)N1 SPC-i186 [0,0,0,1,0,1|1,0,1]=4 55 B8R1.35 O=C(O)\C=C\C1CC1 SPC-n055 [0,0,0,1,0,1|0,0,1]=3 56 B8R1.1 CC1=CC(C=O)=CS1 SPC-k319 [0,1,0,1,0,0|2,0,0]=4 57 B8R1.1 NC[C@H]1COC(=O)N1 SPC-p433 [0,1,0,1,0,0|1,0,1]=4 58 B8R1.4 CC1=CC(=O)NN=C1 SPC-t626 [0,1,0,1,0,0|1,0,1]=4 59 B8R1.4 CC1=CC(O)=CN=C1 SPC-t060 [0,1,0,1,0,0|1,0,1]=4 60 B8R1.4 CC1=NC=CC(O)=C1 SPC-r417 [0,1,0,1,0,0|1,0,1]=4 61 B8R1.4 NC1=CC(=O)COC1 SPC-t582 [0,1,0,1,0,0|1,0,0]=3 62 B8R1.4 O=C1COCC(=O)C1 SPC-k937 [0,1,0,1,0,0|1,0,1]=4 63 B8R1.18 CC1=CC(=O)O[C@@H]1O SPC-s367 [0,1,0,1,0,0|0,0,0]=2 64 B8R1.18 CC1=CC(N)=NN1C SPC-v288 [0,1,0,1,0,0|2,0,0]=4 65 B8R1.31 CC1NCC1C(=O)O SPC-i198 [0,1,0,1,0,0|0,0,2]=4 66 B8R1.31 CC1NCC1C(=O)O SPC-i198 [0,1,0,1,0,0|0,0,2]=4 67 B8R1.31 CN1CC[C@@H]1C(=O)O SPC-i181 [0,1,0,1,0,0|1,0,1]=4 68 B8R1.31 CN1CC[C@H]1C(=O)O SPC-p175 [0,1,0,1,0,0|1,0,1]=4 69 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O SPC-p138 [0,1,0,1,0,0|0,0,2]=4 70 B8R1.31 C[C@@H]1NC[C@H]1C(=O)O SPC-v548 [0,1,0,1,0,0|0,0,2]=4 71 B8R1.34 CC(=O)C=C1COC1 SPC-a012 [0,1,0,1,0,0|1,0,0]=3 72 B8R1.34 O=C(O)C=C1CCC1 SPC-h901 [0,1,0,1,0,0|0,0,0]=2 73 B8R1.34 O=C(O)CC1CCC1 SPC-a096 [0,1,0,1,0,0|0,0,2]=4 74 B8R1.34 O=C(O)CC1CNC1 SPC-h769 [0,1,0,1,0,0|0,0,2]=4 75 B8R1.34 O=C(O)CC1COC1 SPC-a018 [0,1,0,1,0,0|0,0,2]=4 76 B8R1.34 O=[N+]([O-])C=C1COC1 SPC-a016 [0,1,0,1,0,0|1,0,1]=4 77 B8R1.40 COC(=O)CC1CC1 SPC-k723 [0,1,0,1,0,0|0,0,2]=4 78 B8R1.43 NCC1CC1C(=O)O SPC-v399 [0,1,0,1,0,0|0,0,2]=4 79 B8R1.50 CC1=NOC(C)=C1Br SPC-g013 [0,1,0,1,0,0|2,0,0]=4 80 B8R0.28 CN(C)C\C=C\C(=O)O SPC-m774 [0,0,0,0,0,2|1,0,0]=3