0 B10R1.66 CC(=O)OCC1CCCO1 B23205 [0,0,0,0,0,0|0,0,4]=4 1 B10R1.66 CC(=O)OCc1ccco1 A15285 [0,0,0,0,0,0|0,0,0]=0 2 B10R1.66 CC(=O)SCc1ccco1 B21821 [0,0,0,0,0,0|0,1,0]=1 3 B10R1.66 CC(=O)\C=C\c1ccco1 A19456 [0,0,0,0,0,0|1,0,1]=2 4 B10R1.66 CC(=O)\C=C\c1cccs1 B25191 [0,0,0,0,0,0|1,1,1]=3 5 B10R1.66 CC(C)SCc1ccco1 B21994 [0,0,0,0,0,0|1,1,1]=3 6 B10R1.66 CN(C)\N=C\c1ccco1 H32013 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.66 c1cc(oc1)CCC(=O)O H27273 [0,0,0,0,0,0|2,0,0]=2 8 B10R1.66 c1cc(oc1)\C=C\C(=O)O B21653 [0,0,0,0,0,0|2,0,1]=3 9 B10R1.66 c1cc(oc1)\C=C\[N+](=O)[O-] L06995 [0,0,0,0,0,0|3,0,1]=4 10 B10R1.66 c1cc(sc1)\C=C\C(=O)O A10342 [0,0,0,0,0,0|2,1,1]=4 11 B9R1.12 CCCCC1=CC=CC1 H27576 [1,0,0,0,0,0|2,0,1]=4 12 B9R1.12 CCCCc1ccco1 A13376 [1,0,0,0,0,0|1,0,1]=3 13 B9R1.12 CCCCc1cccs1 A12740 [1,0,0,0,0,0|1,1,1]=4 14 B9R1.12 c1cc(oc1)CN=C=S A19410 [1,0,0,0,0,0|1,1,1]=4 15 B9R1.12 c1cc(oc1)\C=C\C=O A13042 [1,0,0,0,0,0|1,0,1]=3 16 B11R1.25 CCC(=O)SCc1ccco1 B22351 [0,1,0,0,0,0|0,1,0]=2 17 B11R1.25 COC(=O)\C=C\c1cccs1 B20177 [0,1,0,0,0,0|1,1,1]=4 18 B11R1.35 c1cc(sc1)C[C@@H](C(=O)O)N H63316 [0,1,0,0,0,0|2,1,0]=4 19 B11R1.35 c1cc(sc1)C[C@H](C(=O)O)N H63681 [0,1,0,0,0,0|2,1,0]=4 20 B11R1.77 CC(=O)CC(=O)c1ccco1 B24045 [0,1,0,0,0,0|1,0,1]=3 21 B9R0.2 CC(=O)OCCCCC=C H53445 [0,0,1,0,0,0|1,0,2]=4 22 B9R0.2 CCC\C=C\COC(=O)C A18786 [0,0,1,0,0,0|1,0,2]=4 23 B9R0.2 CC\C=C/CCOC(=O)C A19380 [0,0,1,0,0,0|1,0,2]=4 24 B9R0.2 C\C=C\C=C\COC(=O)C L11050 [0,0,1,0,0,0|1,0,0]=2 25 B9R1.13 CC(=O)Cc1ccco1 B22171 [0,0,0,0,1,0|0,0,0]=1 26 B9R1.13 CC(=O)Nc1nccs1 B23873 [0,0,0,0,1,0|2,1,0]=4 27 B9R1.13 CN(C)CC1=CC=CC1 L07915 [0,0,0,0,1,0|3,0,0]=4 28 B9R1.13 c1c(nc[nH]1)CC(=O)O B22473 [0,0,0,0,1,0|3,0,0]=4 29 B9R1.13 c1cc(sc1)CC(=O)Cl L09323 [0,0,0,0,1,0|1,1,0]=3 30 B9R1.13 c1cc(sc1)CC(=O)N L19221 [0,0,0,0,1,0|1,1,0]=3 31 B9R1.13 c1cc(sc1)CC(=O)O A10394 [0,0,0,0,1,0|1,1,0]=3 32 B9R1.13 c1cc(sc1)CC(=S)N H58178 [0,0,0,0,1,0|1,2,0]=4 33 B9R1.13 c1cscc1CC(=O)O A10700 [0,0,0,0,1,0|3,0,0]=4 34 B11R1.91 CC(=N)SCc1ccccc1 H51844 [0,0,0,0,0,1|2,1,0]=4 35 B11R1.91 CC(=O)C#Cc1ccccc1 H27826 [0,0,0,0,0,1|2,0,1]=4 36 B11R1.91 CC(=O)CCc1ccccc1 B22777 [0,0,0,0,0,1|2,0,0]=3 37 B11R1.91 CC(=O)NCc1cccnc1 B21862 [0,0,0,0,0,1|2,0,0]=3 38 B11R1.91 CC(=O)NNc1ccccc1 A14446 [0,0,0,0,0,1|3,0,0]=4 39 B11R1.91 CC(=O)OCc1ccccc1 B23472 [0,0,0,0,0,1|1,0,0]=2 40 B11R1.91 CC(=O)\C=C\c1ccccc1 A13537 [0,0,0,0,0,1|2,0,1]=4 41 B11R1.91 c1cc(cnc1)CCC(=O)O H58619 [0,0,0,0,0,1|3,0,0]=4 42 B11R1.91 c1cc(cnc1)CCC(=O)O L14007 [0,0,0,0,0,1|3,0,0]=4 43 B11R1.91 c1ccc(cc1)CCC(=O)Cl A10860 [0,0,0,0,0,1|3,0,0]=4 44 B11R1.91 c1ccc(cc1)CCC(=O)O A14908 [0,0,0,0,0,1|3,0,0]=4 45 B11R1.91 c1ccc(cc1)CNC(=O)N B24945 [0,0,0,0,0,1|3,0,0]=4 46 B11R1.91 c1ccc(cc1)COC(=O)Cl A15682 [0,0,0,0,0,1|2,0,0]=3 47 B11R1.91 c1ccc(cc1)COC(=O)N A11569 [0,0,0,0,0,1|2,0,0]=3 48 B11R1.91 c1cnccc1CCC(=O)O H58655 [0,0,0,0,0,1|3,0,0]=4 49 B11R1.172 CC(=O)CSCc1ccco1 B22724 [0,0,0,0,0,1|0,1,0]=2 50 B11R1.172 c1cc(sc1)CCCC(=O)O L07563 [0,0,0,0,0,1|2,1,0]=4 51 B8R0.7 CC(=O)OCCCC=C B20258 [1,0,1,0,0,0|0,0,2]=4 52 B8R1.8 CCCc1ccco1 B21703 [2,0,0,0,0,0|0,0,1]=3 53 B8R1.8 CCCc1cccs1 L03052 [2,0,0,0,0,0|0,1,1]=4 54 B8R1.8 CSCc1ccco1 B21691 [2,0,0,0,0,0|0,1,0]=3 55 B10R1.11 CCOC(=O)c1ccco1 A13909 [1,1,0,0,0,0|0,0,2]=4 56 B10R1.21 CCCCCc1ccco1 A11607 [1,1,0,0,0,0|1,0,1]=4 57 B10R1.27 C\C(=C/c1ccco1)\C=O A10125 [1,1,0,0,0,0|1,0,1]=4 58 B12R1.21 CC(=O)CCc1ccc(cc1)O A14064 [0,1,0,0,0,1|2,0,0]=4 59 B12R1.21 Cc1ccc(cc1)COC(=O)C B22318 [0,1,0,0,0,1|1,0,0]=3 60 B12R1.27 C=CC(=O)OCc1ccccc1 43204 [0,1,0,0,0,1|1,0,1]=4 61 B12R1.27 CCC(=O)OCc1ccccc1 B23186 [0,1,0,0,0,1|1,0,0]=3 62 B12R1.27 COC(=O)CCc1ccccc1 L05310 [0,1,0,0,0,1|2,0,0]=4 63 B12R1.27 COC(=O)CCc1cccnc1 L14590 [0,1,0,0,0,1|2,0,0]=4 64 B12R1.27 c1ccc(cc1)COC(=O)CBr A17630 [0,1,0,0,0,1|1,0,0]=3 65 B12R1.27 c1ccc(cc1)COC(=O)CN H50247 [0,1,0,0,0,1|1,0,0]=3 66 B12R1.27 c1ccc(cc1)COC(=O)CN H56016 [0,1,0,0,0,1|1,0,0]=3 67 B12R1.27 c1ccc(cc1)COC(=O)NN A13005 [0,1,0,0,0,1|2,0,0]=4 68 B12R1.27 c1ccc(cc1)COC(=O)NO L13175 [0,1,0,0,0,1|2,0,0]=4 69 B12R1.125 CC(=O)NCc1ccccc1Br H50599 [0,1,0,0,0,1|2,0,0]=4 70 B12R1.130 Cc1c(scn1)CCOC(=O)C B21867 [0,1,0,0,0,1|1,1,0]=4 71 B12R1.477 COC(=O)CSCc1ccco1 B22717 [0,1,0,0,0,1|0,1,0]=3 72 B12R1.51 CCOC(=O)CCc1ccco1 A18732 [0,2,0,0,0,0|1,0,0]=3 73 B10R1.18 CC(=O)Oc1ccccc1 B22561 [0,0,1,1,0,0|1,0,1]=4 74 B10R1.18 CC(=O)Oc1ccccc1 L19598 [0,0,1,1,0,0|1,0,1]=4 75 B10R1.61 CC(=O)c1ccccc1O A12550 [0,0,1,1,0,0|1,0,1]=4 76 B10R1.113 CC(=O)c1cccc(c1)O A12547 [0,0,1,1,0,0|1,0,1]=4 77 B12R2.24 c1ccc2c(c1)CCC(=O)C2 L01053 [0,0,0,1,0,1|2,0,0]=4 78 B8R1.7 CC(=C1C=CC=C1)C B21826 [0,0,0,0,2,0|2,0,0]=4 79 B8R1.7 CC(=O)c1cc[nH]c1 A12073 [0,0,0,0,2,0|2,0,0]=4 80 B8R1.7 CC(=O)c1ccc[nH]1 A14593 [0,0,0,0,2,0|1,0,0]=3 81 B8R1.7 CC(=O)c1ccco1 A14938 [0,0,0,0,2,0|0,0,0]=2 82 B8R1.7 CC(=O)c1cccs1 A13062 [0,0,0,0,2,0|0,1,0]=3 83 B8R1.7 CC(=O)c1ccoc1 H34071 [0,0,0,0,2,0|2,0,0]=4 84 B8R1.7 CC(=O)c1ccsc1 A11078 [0,0,0,0,2,0|2,0,0]=4 85 B8R1.7 CC(=O)c1nccs1 A11266 [0,0,0,0,2,0|1,1,0]=4 86 B8R1.7 c1c(ocn1)C(=O)O H30179 [0,0,0,0,2,0|2,0,0]=4 87 B8R1.7 c1cc([nH]c1)C(=O)O L13756 [0,0,0,0,2,0|2,0,0]=4 88 B8R1.7 c1cc(oc1)C(=O)Cl L06960 [0,0,0,0,2,0|1,0,0]=3 89 B8R1.7 c1cc(oc1)C(=O)N B25075 [0,0,0,0,2,0|1,0,0]=3 90 B8R1.7 c1cc(oc1)C(=O)O A11454 [0,0,0,0,2,0|1,0,0]=3 91 B8R1.7 c1cc(oc1)C(=S)N H51831 [0,0,0,0,2,0|1,1,0]=4 92 B8R1.7 c1cc(sc1)C(=O)Cl A14641 [0,0,0,0,2,0|1,1,0]=4 93 B8R1.7 c1cc(sc1)C(=O)N A15219 [0,0,0,0,2,0|1,1,0]=4 94 B8R1.7 c1cc(sc1)C(=O)O A12514 [0,0,0,0,2,0|1,1,0]=4 95 B8R1.7 c1cc(sc1)C(=O)[O-] H64950 [0,0,0,0,2,0|1,1,0]=4 96 B8R1.7 c1cnoc1C(=O)Cl A14625 [0,0,0,0,2,0|2,0,0]=4 97 B8R1.7 c1cnoc1C(=O)O A13739 [0,0,0,0,2,0|2,0,0]=4 98 B10R1.17 c1ccc(cc1)CCC=O A10367 [1,0,0,0,0,1|2,0,0]=4 99 B10R1.17 c1ccc(cc1)CNC=O B23722 [1,0,0,0,0,1|2,0,0]=4 100 B10R1.17 c1ccc(cc1)COC=O L13405 [1,0,0,0,0,1|1,0,0]=3 101 B12R1.252 CC(=O)CSCc1ccccc1 L03814 [0,0,0,0,0,2|1,1,0]=4 102 B12R1.252 CC(=O)OCCc1ccccc1 B21238 [0,0,0,0,0,2|1,0,0]=3 103 B12R1.252 c1ccc(cc1)COCC(=O)Cl L14337 [0,0,0,0,0,2|2,0,0]=4 104 B12R1.252 c1ccc(cc1)COCC(=O)O H54581 [0,0,0,0,0,2|2,0,0]=4