0 B6R0.1 CCOC(=O)C#N SPC-g163 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.1 CCC[C@H](C)N SPC-k309 [1,0,0,0,0,0|1,0,2]=4 2 B7R0.5 CCOC(=O)C(N)=S SPC-m739 [0,1,0,0,0,0|2,1,0]=4 3 B7R1.1 BrCC1=CCCC1 SPC-n905 [0,0,0,1,0,0|1,0,1]=3 4 B7R1.1 O=CC1=CC=NN1 SPC-p008 [0,0,0,1,0,0|2,0,1]=4 5 B7R1.1 O=CC1=CN=CS1 SPC-s113 [0,0,0,1,0,0|2,0,1]=4 6 B7R1.1 O=CC1=CNN=C1 SPC-g855 [0,0,0,1,0,0|2,0,1]=4 7 B7R1.1 O=CC1=CNN=C1 SPC-k121 [0,0,0,1,0,0|2,0,1]=4 8 B7R1.1 O=CC1=COC=N1 SPC-m897 [0,0,0,1,0,0|2,0,1]=4 9 B7R1.1 O=CC1=CSC=C1 SPC-g519 [0,0,0,1,0,0|1,0,2]=4 10 B7R1.2 CC1=CN(C)N=C1 SPC-s115 [0,0,0,1,0,0|2,0,0]=3 11 B7R1.2 CC1=NN(C)C=C1 SPC-g247 [0,0,0,1,0,0|3,0,0]=4 12 B7R1.2 CN1C=C(Br)C=N1 SPC-g070 [0,0,0,1,0,0|3,0,0]=4 13 B7R1.2 CN1C=C(I)C=N1 SPC-g007 [0,0,0,1,0,0|3,0,0]=4 14 B7R1.2 CN1C=C(N)C=N1 SPC-g585 [0,0,0,1,0,0|3,0,0]=4 15 B7R1.2 CN1C=C(N)C=N1 SPC-p030 [0,0,0,1,0,0|3,0,0]=4 16 B7R1.2 CN1C=C[N+](C)=C1 SPC-m458 [0,0,0,1,0,0|3,0,0]=4 17 B7R1.3 CC1=CCCNC1 SPC-m637 [0,0,0,1,0,0|1,0,1]=3 18 B7R1.3 CC1=CCNCC1 SPC-h455 [0,0,0,1,0,0|2,0,1]=4 19 B7R1.3 CC1=CN=NC=C1 SPC-g520 [0,0,0,1,0,0|2,0,1]=4 20 B7R1.4 CC1=C(Br)NN=C1 SPC-i582 [0,0,0,1,0,0|3,0,0]=4 21 B7R1.4 CC1=C(C)NN=C1 SPC-s309 [0,0,0,1,0,0|3,0,0]=4 22 B7R1.4 CC1=C(N)NN=C1 SPC-h585 [0,0,0,1,0,0|3,0,0]=4 23 B7R1.4 CC1=CSC=C1N SPC-p592 [0,0,0,1,0,0|2,0,1]=4 24 B7R1.25 CC1(C=O)COC1 SPC-a029 [0,0,0,1,0,0|1,0,2]=4 25 B4R0.1 CC(=O)CN SPC-t886 [2,0,0,0,0,0|1,0,0]=3 26 B4R0.1 NC(=O)CI SPC-s873 [2,0,0,0,0,0|2,0,0]=4 27 B4R0.2 C=CCCO SPC-t137 [2,0,0,0,0,0|1,0,1]=4 28 B6R0.3 CC[C@@H](Br)C(=O)O SPC-t752 [1,1,0,0,0,0|1,0,1]=4 29 B6R0.3 CC[C@H](Br)C(=O)O SPC-t846 [1,1,0,0,0,0|1,0,1]=4 30 B6R0.3 CON(C)C(C)=O SPC-t100 [1,1,0,0,0,0|2,0,0]=4 31 B6R0.4 CC\C=C\C(=O)O SPC-t510 [1,1,0,0,0,0|1,0,0]=3 32 B6R1.2 CC1=CNC=C1 SPC-m068 [1,0,0,1,0,0|1,0,1]=4 33 B6R1.2 CC1=CNN=C1 SPC-n152 [1,0,0,1,0,0|2,0,0]=4 34 B6R1.2 IC1=COCC1 SPC-t718 [1,0,0,1,0,0|2,0,0]=4 35 B6R1.2 O=C1C=CCC1 SPC-g207 [1,0,0,1,0,0|0,0,1]=3 36 B6R1.2 O=C1C=CCO1 SPC-t619 [1,0,0,1,0,0|1,0,1]=4 37 B6R1.2 O=C1CCNC1 SPC-g182 [1,0,0,1,0,0|1,0,1]=4 38 B6R1.2 O=C1CCOC1 SPC-g234 [1,0,0,1,0,0|1,0,1]=4 39 B6R1.5 CC1CC(=O)C1 SPC-n075 [1,0,0,1,0,0|0,0,1]=3 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 B6R1.5 NC1CC(=O)C1 SPC-g768 [1,0,0,1,0,0|1,0,1]=4 43 B6R1.5 O=C1CC(Br)C1 SPC-i596 [1,0,0,1,0,0|1,0,1]=4 44 B6R1.11 NC(=O)C1CC1 SPC-t155 [1,0,0,1,0,0|1,0,1]=4 45 B6R1.1 C1=CCNCC1 SPC-g659 [1,0,0,1,0,0|1,0,1]=4 46 B6R1.1 C1=CCOCC1 SPC-h047 [1,0,0,1,0,0|0,0,2]=4 47 B6R1.4 C[C@@H]1OCC1=O SPC-p252 [1,0,0,1,0,0|1,0,1]=4 48 B8R1.1 CC1=CC(C=O)=CS1 SPC-k319 [0,1,0,1,0,0|0,0,2]=4 49 B8R1.1 CC1=CN=C(CN)O1 SPC-s089 [0,1,0,1,0,0|2,0,0]=4 50 B8R1.1 CC1=CNC(CO)=N1 SPC-q878 [0,1,0,1,0,0|2,0,0]=4 51 B8R1.1 CCN1C=C(N)C=N1 SPC-j655 [0,1,0,1,0,0|2,0,0]=4 52 B8R1.1 CN1C=C(C=O)C=N1 SPC-g577 [0,1,0,1,0,0|1,0,1]=4 53 B8R1.1 CN1C=C(CBr)C=N1 SPC-i882 [0,1,0,1,0,0|2,0,0]=4 54 B8R1.1 CN1C=C(CN)C=N1 SPC-j411 [0,1,0,1,0,0|2,0,0]=4 55 B8R1.1 CN1C=C(CN)C=N1 SPC-m754 [0,1,0,1,0,0|2,0,0]=4 56 B8R1.1 CN1C=C(CO)C=N1 SPC-j412 [0,1,0,1,0,0|2,0,0]=4 57 B8R1.1 CN1C=NC(C=O)=C1 SPC-h471 [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|2,0,0]=4 59 B8R1.4 CC1=CC(C)=NC=N1 SPC-n162 [0,1,0,1,0,0|1,0,1]=4 60 B8R1.4 C[C@@H]1CC(=O)CCN1 SPC-j888 [0,1,0,1,0,0|1,0,1]=4 61 B8R1.4 C[C@H]1CC(=O)CCN1 SPC-j895 [0,1,0,1,0,0|1,0,1]=4 62 B8R1.4 C[C@H]1CC(=O)CCN1 SPC-m537 [0,1,0,1,0,0|1,0,1]=4 63 B8R1.4 C[C@H]1CC(=O)CCN1 SPC-n719 [0,1,0,1,0,0|1,0,1]=4 64 B8R1.4 C[C@H]1CC(=O)CCO1 SPC-k855 [0,1,0,1,0,0|1,0,1]=4 65 B8R1.4 O=C1CCNC(=O)C1 SPC-g649 [0,1,0,1,0,0|2,0,0]=4 66 B8R1.18 CN1C[C@@H](N)CC1=O SPC-p485 [0,1,0,1,0,0|1,0,1]=4 67 B8R1.2 BrCC1=CCCCC1 SPC-j295 [0,1,0,1,0,0|1,0,1]=4 68 B8R1.2 N#CC1=CCOCC1 SPC-t401 [0,1,0,1,0,0|1,0,1]=4 69 B8R1.2 O=C[C@@H]1CCC=CO1 SPC-s265 [0,1,0,1,0,0|0,0,2]=4 70 B8R1.5 CC1=CC=NNC1=O SPC-m081 [0,1,0,1,0,0|1,0,1]=4 71 B8R1.5 CN1CCNCC1=O SPC-j564 [0,1,0,1,0,0|1,0,1]=4 72 B8R1.5 CN1CCNCC1=O SPC-r023 [0,1,0,1,0,0|1,0,1]=4 73 B8R1.5 C[C@H]1CNCCC1=O SPC-n076 [0,1,0,1,0,0|0,0,2]=4 74 B8R1.5 C[C@H]1COCCC1=O SPC-p410 [0,1,0,1,0,0|0,0,2]=4 75 B8R1.50 CC1=C(Br)N(C)N=C1 SPC-p640 [0,1,0,1,0,0|2,0,0]=4 76 B8R1.50 CN1C(=O)CSC1=S SPC-m393 [0,1,0,1,0,0|2,0,0]=4 77 B8R1.50 CN1CC[C@@H](N)C1=O SPC-v521 [0,1,0,1,0,0|1,0,1]=4 78 B8R1.50 O=C1CCC(=O)N1I SPC-m873 [0,1,0,1,0,0|2,0,0]=4 79 B8R1.7 NC(=O)[C@@H]1CCCN1 SPC-m512 [0,1,0,1,0,0|1,0,1]=4 80 B8R1.7 O=C(O)C1=COCC1 SPC-g480 [0,1,0,1,0,0|1,0,0]=3 81 B8R1.7 O=C(O)C1CCCC1 SPC-k222 [0,1,0,1,0,0|0,0,2]=4 82 B8R1.7 OB(O)C1=CCCC1 SPC-t154 [0,1,0,1,0,0|1,0,1]=4 83 B8R1.19 CC1(C)CCCC1=O SPC-q787 [0,1,0,1,0,0|0,0,2]=4 84 B8R1.19 CC1(C)OCCC1=O SPC-v121 [0,1,0,1,0,0|1,0,1]=4 85 B8R1.23 CC1CC(C(=O)O)C1 SPC-m202 [0,1,0,1,0,0|0,0,2]=4 86 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 SPC-i346 [0,1,0,1,0,0|0,0,2]=4 87 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 SPC-i384 [0,1,0,1,0,0|0,0,2]=4 88 B8R1.78 CC1(C(=O)O)CCC1 SPC-h853 [0,1,0,1,0,0|0,0,2]=4 89 B8R1.78 C[C@@]1(C(=O)O)CCO1 SPC-w005 [0,1,0,1,0,0|1,0,1]=4 90 B8R1.78 C[C@@]1(C(=O)O)CCO1 SPC-w005 [0,1,0,1,0,0|1,0,1]=4 91 B8R1.11 CC1=C(CN)NN=C1 SPC-u271 [0,1,0,1,0,0|2,0,0]=4 92 B8R1.11 CC1=CSC=C1C=O SPC-p593 [0,1,0,1,0,0|1,0,1]=4 93 B8R1.11 CC1=NNC=C1C=O SPC-t795 [0,1,0,1,0,0|2,0,0]=4 94 B8R1.11 CN1N=CC=C1C=O SPC-r412 [0,1,0,1,0,0|1,0,1]=4