0 B10R1.66 C1C=CN=C1CCC(=O)O CB11077 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.12 CNCCc1cccs1 AB18501 [1,0,0,0,0,0|2,1,0]=4 2 B11R1.75 Cc1cnc(o1)COC(=O)C AB63620 [0,1,0,0,0,0|1,0,0]=2 3 B11R1.75 Cc1nc(on1)COC(=O)C AB63655 [0,1,0,0,0,0|2,0,0]=3 4 B11R1.77 c1cc(oc1)C(CC(=O)O)N AB07979 [0,1,0,0,0,0|2,0,0]=3 5 B11R1.77 c1cc(oc1)[C@@H](CC(=O)O)N AB20746 [0,1,0,0,0,0|2,0,0]=3 6 B11R1.77 c1cc(oc1)[C@H](CC(=O)O)N AB20743 [0,1,0,0,0,0|2,0,0]=3 7 B11R1.77 c1cc(sc1)C(CC(=O)O)N AB04046 [0,1,0,0,0,0|2,1,0]=4 8 B11R1.77 c1cc(sc1)[C@@H](CC(=O)O)N AB17732 [0,1,0,0,0,0|2,1,0]=4 9 B11R1.77 c1cc(sc1)[C@H](CC(=O)O)N AB17799 [0,1,0,0,0,0|2,1,0]=4 10 B11R2.36 Cc1ccc2c(c1)cco2 MB00739 [0,0,0,1,0,0|2,0,1]=4 11 B11R2.36 c1[nH]c2c(n1)CC(=O)CC2 AB69375 [0,0,0,1,0,0|3,0,0]=4 12 B11R2.36 c1c2c(on1)CCC(=O)C2 AB69364 [0,0,0,1,0,0|2,0,0]=3 13 B9R1.13 B(Cc1ccco1)(O)O AB10323 [0,0,0,0,1,0|2,0,1]=4 14 B9R1.13 CC(=O)Nc1ccsc1 AB04169 [0,0,0,0,1,0|3,0,0]=4 15 B9R1.13 c1cc(sc1)CC(=O)O PB27359 [0,0,0,0,1,0|1,1,0]=3 16 B9R1.13 c1csc(n1)CC(=O)O PB23269 [0,0,0,0,1,0|2,1,0]=4 17 B9R1.13 c1cscc1CC(=O)O PB28939 [0,0,0,0,1,0|3,0,0]=4 18 B11R1.91 CC(=O)OCc1cccnc1 AB49310 [0,0,0,0,0,1|1,0,0]=2 19 B11R1.91 CC(=O)\C=C\c1ccccc1 CB10061 [0,0,0,0,0,1|2,0,1]=4 20 B11R1.172 CC(=O)NCCn1cccc1 AB04419 [0,0,0,0,0,1|3,0,0]=4 21 B8R0.9 CC(=O)OCC(=O)C=C AB16085 [1,0,1,0,0,0|0,0,1]=3 22 B8R1.8 CNCc1cccs1 AB13997 [2,0,0,0,0,0|1,1,0]=4 23 B8R1.8 CNCc1ccno1 AB27949 [2,0,0,0,0,0|2,0,0]=4 24 B8R1.8 COCc1[nH]ccn1 PB20902 [2,0,0,0,0,0|2,0,0]=4 25 B8R1.8 c1cc(oc1)N=C=O AB53758 [2,0,0,0,0,0|1,0,1]=4 26 B8R1.8 c1coc(n1)CC=O AB57661 [2,0,0,0,0,0|1,0,0]=3 27 B8R1.8 c1csc(n1)CC=O AB57662 [2,0,0,0,0,0|1,1,0]=4 28 B10R1.23 c1cc(oc1)C(C(=O)O)N AB01510 [0,1,0,0,1,0|1,0,0]=3 29 B10R1.23 c1cc(oc1)[C@@H](C(=O)O)N AB14778 [0,1,0,0,1,0|1,0,0]=3 30 B10R1.23 c1cc(oc1)[C@H](C(=O)O)N AB14775 [0,1,0,0,1,0|1,0,0]=3 31 B10R1.23 c1cc(sc1)C(C(=O)O)N AB00429 [0,1,0,0,1,0|1,1,0]=4 32 B10R1.23 c1cc(sc1)[C@@H](C(=O)O)N AB03043 [0,1,0,0,1,0|1,1,0]=4 33 B10R1.23 c1cc(sc1)[C@H](C(=O)O)N AB02992 [0,1,0,0,1,0|1,1,0]=4 34 B10R1.54 Cc1ncc(o1)CC(=O)C AB44093 [0,1,0,0,1,0|1,0,0]=3 35 B10R1.64 Cn1cccc1CC(=O)O AB31637 [0,1,0,0,1,0|2,0,0]=4 36 B12R1.27 c1ccc(cc1)COC(=O)CN CB10135 [0,1,0,0,0,1|1,0,0]=3 37 B12R1.226 CC(=O)NCc1cc(cnc1)Br AB68529 [0,1,0,0,0,1|2,0,0]=4 38 B12R1.226 CC(=O)OCc1cc(ccn1)Br AB65591 [0,1,0,0,0,1|1,0,0]=3 39 B12R1.298 c1cc(oc1)CC(CN)C(=O)O AB35651 [0,2,0,0,0,0|2,0,0]=4 40 B12R1.298 c1cc(oc1)C[C@@H](CN)C(=O)O AB35653 [0,2,0,0,0,0|2,0,0]=4 41 B12R1.298 c1cc(oc1)C[C@H](CN)C(=O)O AB35656 [0,2,0,0,0,0|2,0,0]=4 42 B10R2.7 c1coc2c1CCNC2 AB52640 [1,0,0,1,0,0|1,0,1]=4 43 B10R2.7 c1coc2c1CNCC2 AB52634 [1,0,0,1,0,0|2,0,0]=4 44 B12R2.22 c1ccc(cc1)C2CC(=O)C2 PB26115 [0,0,0,1,0,1|2,0,0]=4 45 B12R2.22 c1ccc(cc1)C2CC(=O)N2 AB10995 [0,0,0,1,0,1|2,0,0]=4 46 B12R2.24 c1c2c(ncn1)CCC(=O)C2 AB45338 [0,0,0,1,0,1|2,0,0]=4 47 B12R2.24 c1cc2c(nc1)CC(=O)NC2 AB77257 [0,0,0,1,0,1|2,0,0]=4 48 B12R2.24 c1cc2c(nc1)CCC(=O)C2 AB26260 [0,0,0,1,0,1|2,0,0]=4 49 B12R2.24 c1ccc2c(c1)CC(=O)NC2 AB15535 [0,0,0,1,0,1|2,0,0]=4 50 B12R2.24 c1cncc2c1CC(=O)NC2 AB64881 [0,0,0,1,0,1|2,0,0]=4 51 B12R2.24 c1cncc2c1CNC(=O)C2 AB68337 [0,0,0,1,0,1|2,0,0]=4 52 B12R2.606 Cc1nc2c(o1)CCC(=O)C2 AB69372 [0,1,0,1,0,0|2,0,0]=4 53 B8R1.7 CC(=O)C1=CN=CC1 AB02749 [0,0,0,0,2,0|2,0,0]=4 54 B8R1.7 CC(=O)c1ccsc1 PB17033 [0,0,0,0,2,0|2,0,0]=4 55 B8R1.7 CC(=O)c1cocn1 AB73503 [0,0,0,0,2,0|2,0,0]=4 56 B8R1.7 CC(=O)c1ncco1 AB42105 [0,0,0,0,2,0|1,0,0]=3 57 B8R1.7 c1c(ocn1)C(=O)N AB19298 [0,0,0,0,2,0|2,0,0]=4 58 B8R1.7 c1c(ocn1)C(=O)O AB19293 [0,0,0,0,2,0|2,0,0]=4 59 B8R1.7 c1cc(oc1)C(=N)N AB07706 [0,0,0,0,2,0|2,0,0]=4 60 B8R1.7 c1coc(n1)C(=O)N AB19289 [0,0,0,0,2,0|2,0,0]=4 61 B8R1.7 c1coc(n1)C(=O)O AB19305 [0,0,0,0,2,0|2,0,0]=4 62 B10R1.17 c1cc(cnc1)CCC=O AB57626 [1,0,0,0,0,1|2,0,0]=4 63 B10R1.17 c1ccc(cc1)CCC=O AB00823 [1,0,0,0,0,1|2,0,0]=4 64 B10R1.17 c1ccnc(c1)CCC=O AB57635 [1,0,0,0,0,1|2,0,0]=4 65 B10R1.17 c1cnc(cn1)CCC=O AB57652 [1,0,0,0,0,1|2,0,0]=4 66 B10R1.17 c1cnc(nc1)CCC=O AB57644 [1,0,0,0,0,1|2,0,0]=4 67 B10R1.17 c1cnccc1CCC=O AB49299 [1,0,0,0,0,1|2,0,0]=4 68 B10R1.17 c1cncnc1CCC=O AB57649 [1,0,0,0,0,1|2,0,0]=4 69 B12R1.252 c1ccc(cc1)COCC(=O)Cl CB10078 [0,0,0,0,0,2|2,0,0]=4 70 B12R1.252 c1ccc(cc1)COCC(=O)O CB10355 [0,0,0,0,0,2|2,0,0]=4