0 B14R1.156 C#CCNC(=O)/C=C/C1=CN=CC=C1 Z284120674 [0,0,0,0,0,0|2,0,2]=4 1 B14R1.156 C=CCNC(=O)/C=C/C1=CC=CC=C1 Z32064585 [0,0,0,0,0,0|1,0,0]=1 2 B14R1.156 C=CCNC(=O)CCC1=CC=CC=C1 Z32064610 [0,0,0,0,0,0|1,0,2]=3 3 B14R1.156 C=CCNC(=O)COC1=CC=CC=C1 Z19735433 [0,0,0,0,0,0|2,0,1]=3 4 B14R1.156 C=CCNC(=O)CSC1=NC=CC=C1 Z18886260 [0,0,0,0,0,0|3,0,1]=4 5 B14R1.156 O=C(/C=C/C1=CC=CC=C1)NCCO Z2681891576 [0,0,0,0,0,0|2,0,1]=3 6 B14R1.156 O=C(NCC1=CC=CC=C1)OCCO Z1198155419 [0,0,0,0,0,0|2,0,2]=4 7 B13R1.42 CCOC(=O)/C=C/C1=CC=CC=C1 Z53834692 [1,0,0,0,0,0|0,0,1]=2 8 B13R1.42 CCOC(=O)NCC1=CC=CC=C1 Z31478129 [1,0,0,0,0,0|1,0,2]=4 9 B15R1.78 COCCNC(=O)/C=C/C1=CC=CC=C1 Z31438089 [0,1,0,0,0,0|1,0,2]=4 10 B15R1.115 C=CCNC(=O)CN(C)C1=CC=CC=C1 Z46176062 [0,1,0,0,0,0|2,0,1]=4 11 B15R1.127 C=CCCC(=O)NCC1=CC=CC(=C1)Br Z995029616 [0,1,0,0,0,0|2,0,1]=4 12 B15R1.127 C=CCNC(=O)COC1=CC=CC(=C1)F Z19755339 [0,1,0,0,0,0|2,0,1]=4 13 B15R1.127 C=CCNC(=O)NCC1=CC=CC(=C1)O Z749944046 [0,1,0,0,0,0|2,0,1]=4 14 B15R1.139 C=CCNC(=O)CCC1=CC=C(C=C1)Br Z1336760213 [0,1,0,0,0,0|1,0,2]=4 15 B15R1.139 C=CCNC(=O)CSC1=CC=C(C=C1)O Z733875452 [0,1,0,0,0,0|2,0,1]=4 16 B15R1.139 C=CCNC(=O)NCC1=CC=C(C=C1)F Z211759812 [0,1,0,0,0,0|2,0,1]=4 17 B15R1.139 CCCNC(=O)/C=C/C1=CC=C(C=C1)F Z33030769 [0,1,0,0,0,0|1,0,2]=4 18 B15R1.1208 C=CCNC(=O)/C=C/C1=C(C=CC=C1)Cl Z32064882 [0,1,0,0,0,0|1,0,0]=2 19 B15R1.1208 C=CCNC(=O)CCC1=C(C=CC=C1)Cl Z32063590 [0,1,0,0,0,0|1,0,2]=4 20 B15R1.1208 C=CCNC(=O)COC1=C(C=CC=C1)Br Z17828984 [0,1,0,0,0,0|2,0,1]=4 21 B15R1.1208 C=CCNC(=O)COC1=C(C=CC=C1)C Z19733605 [0,1,0,0,0,0|2,0,1]=4 22 B15R1.1208 C=CCNC(=O)COC1=C(C=CC=C1)Cl Z19726357 [0,1,0,0,0,0|2,0,1]=4 23 B15R1.1208 C=CCNC(=O)COC1=C(C=CC=C1)F Z19724529 [0,1,0,0,0,0|2,0,1]=4 24 B15R1.1208 C=CCNC(=O)CSC1=C(C=CC=C1)C Z32064843 [0,1,0,0,0,0|2,0,1]=4 25 B15R1.1208 C=CCNC(=O)CSC1=C(C=CC=C1)F Z18098055 [0,1,0,0,0,0|2,0,1]=4 26 B15R1.1208 C=CCNC(=O)NCC1=C(C=CC=C1)C Z211779316 [0,1,0,0,0,0|2,0,1]=4 27 B15R1.1208 C=CCNC(=O)NCC1=C(C=CC=C1)Cl Z211778970 [0,1,0,0,0,0|2,0,1]=4 28 B15R1.5919 NC(=O)COC(=O)/C=C/C1=CC=CC=C1 Z19782661 [0,1,0,0,0,0|1,0,0]=2 29 B15R1.5919 NC(=O)COC(=O)COC1=CC=CC=C1 Z18313684 [0,1,0,0,0,0|2,0,1]=4 30 B15R1.5919 O=C(O)CNC(=O)/C=C/C1=CC=CC=C1 Z56883153 [0,1,0,0,0,0|2,0,0]=3 31 B15R1.5919 O=C(O)CNC(=O)/C=C/C1=CN=CC=C1 Z2312404046 [0,1,0,0,0,0|3,0,0]=4 32 B15R1.5934 C=CCNS(=O)(=O)/C=C/C1=CC=CC=C1 Z45529935 [0,1,0,0,0,0|2,0,0]=3 33 B15R2.352 BrCCOC1=CC2=C(C=CC=C2)C=C1 Z285922232 [0,0,0,1,0,0|2,0,1]=4 34 B15R2.352 N#CCOC1=CC2=C(C=CC=C2)C=C1 Z53793007 [0,0,0,1,0,0|2,0,1]=4 35 B15R2.352 NCCOC1=CC2=C(C=CC=C2)C=C1 Z335451476 [0,0,0,1,0,0|2,0,1]=4 36 B15R2.543 O=C1C=C(NCCN1)C2=CC=CC=C2 Z336080720 [0,0,0,1,0,0|2,0,1]=4 37 B15R2.2195 C1=CC=C(C=C1)/C=C/C2=NC=CC=C2 Z1528723632 [0,0,0,1,0,0|2,0,1]=4 38 B15R2.2195 C1=CC=C(C=C1)/C=C/C2=NC=CC=N2 Z295463480 [0,0,0,1,0,0|2,0,1]=4 39 B13R1.44 C=CCCC(=O)CC1=CC=CC=C1 Z1219747793 [0,0,0,0,1,0|1,0,1]=3 40 B13R1.44 C=CCCC(=O)CC1=NC=CC=C1 Z1219747825 [0,0,0,0,1,0|2,0,1]=4 41 B13R1.44 C=CCNC(=O)NC1=CC=CC=C1 Z55295481 [0,0,0,0,1,0|2,0,0]=3 42 B13R1.44 C=CCNC(=S)NC1=CC=CC=C1 Z45796175 [0,0,0,0,1,0|2,1,0]=4 43 B13R1.153 C=CCNC(=O)/C=C/C1=CC=CS1 Z32064894 [0,0,0,0,1,0|2,0,0]=3 44 B15R1.157 C=CCNC(=O)CCNC1=CC=CC=C1 Z299616852 [0,0,0,0,0,1|1,0,2]=4 45 B15R1.157 C=CCNC(=O)CSCC1=CC=CC=C1 Z18739546 [0,0,0,0,0,1|1,0,2]=4 46 B12R1.27 C=CC(=O)NCC1=CC=CC=C1 Z56757233 [2,0,0,0,0,0|1,0,1]=4 47 B12R1.27 COC(=O)/C=C/C1=CC=CC=C1 Z19782655 [2,0,0,0,0,0|0,0,0]=2 48 B12R1.27 COC(=O)/C=C/C1=CC=NC=C1 Z3226989482 [2,0,0,0,0,0|1,0,0]=3 49 B12R1.27 COC(=O)/C=C/C1=CN=CN=C1 Z2177030874 [2,0,0,0,0,0|2,0,0]=4 50 B12R1.27 COC(=O)/C=C/C1=NC=NC=C1 Z2637047870 [2,0,0,0,0,0|2,0,0]=4 51 B12R1.27 COC(=O)CCC1=CC=CC=C1 Z18264384 [2,0,0,0,0,0|0,0,2]=4 52 B12R1.27 COC(=O)CNC1=CC=CC=C1 Z1250132387 [2,0,0,0,0,0|1,0,1]=4 53 B12R1.27 COC(=O)NNC1=CC=CC=C1 Z56755853 [2,0,0,0,0,0|2,0,0]=4 54 B14R1.422 O=C(O)COC/C=C/C1=CC=CC=C1 Z2887852692 [1,1,0,0,0,0|1,0,1]=4 55 B14R1.29 CCOC(=O)CC(=O)C1=CC=CC=C1 Z57055787 [1,1,0,0,0,0|0,0,2]=4 56 B14R1.32 CCNC(=O)/C=C/C1=CC(=CC=C1)Br Z30281577 [1,1,0,0,0,0|1,0,1]=4 57 B14R1.60 CCOC(=O)C(=O)NC1=CC=CC=C1 Z56755839 [1,1,0,0,0,0|1,0,1]=4 58 B14R1.502 CCOC(=O)/C=C/C1=CC=C(C=C1)C Z54083206 [1,1,0,0,0,0|0,0,1]=3 59 B14R1.502 CCOC(=O)/C=C/C1=CC=C(C=C1)N Z56770907 [1,1,0,0,0,0|0,0,1]=3 60 B14R1.502 CCOC(=O)/C=C/C1=NC=C(C=C1)Br Z1725938497 [1,1,0,0,0,0|1,0,1]=4 61 B14R1.818 NC(=O)NC(=O)/C=C/C1=CC=CC=C1 Z2757548458 [1,1,0,0,0,0|2,0,0]=4 62 B14R1.33 C=CCNC(=O)CC1=CC=C(C=C1)Br Z30519332 [0,1,0,0,1,0|1,0,1]=4 63 B14R1.33 C=CCNC(=O)NC1=CC=C(C=C1)Br Z409537556 [0,1,0,0,1,0|2,0,0]=4 64 B14R1.33 C=CCNC(=O)NC1=CC=C(C=C1)C Z55295501 [0,1,0,0,1,0|2,0,0]=4 65 B14R1.33 C=CCNC(=O)NC1=CC=C(C=C1)Cl Z55295477 [0,1,0,0,1,0|2,0,0]=4 66 B14R1.33 C=CCNC(=O)NC1=CC=C(C=C1)I Z409803848 [0,1,0,0,1,0|2,0,0]=4 67 B14R1.33 C=CCNC(=O)NC1=CC=C(C=C1)N Z270673580 [0,1,0,0,1,0|2,0,0]=4 68 B14R1.34 C=CCNC(=O)CC1=CC=CC(=C1)F Z32065255 [0,1,0,0,1,0|1,0,1]=4 69 B14R1.34 C=CCNC(=O)NC1=CC=CC(=C1)Br Z409541702 [0,1,0,0,1,0|2,0,0]=4 70 B14R1.34 C=CCNC(=O)NC1=CC=CC(=C1)C Z55295502 [0,1,0,0,1,0|2,0,0]=4 71 B14R1.34 C=CCNC(=O)NC1=CC=CC(=C1)Cl Z55295478 [0,1,0,0,1,0|2,0,0]=4 72 B14R1.34 C=CCNC(=O)NC1=CC=CC(=C1)I Z410005736 [0,1,0,0,1,0|2,0,0]=4 73 B14R1.34 C=CCOC(=O)CC1=CC=CC(=C1)I Z1422303865 [0,1,0,0,1,0|0,0,1]=3 74 B14R1.946 C=CCNC(=O)CC1=C(C=CC=C1)C Z51999724 [0,1,0,0,1,0|1,0,1]=4 75 B14R1.946 C=CCNC(=O)CC1=C(C=CC=C1)F Z32064899 [0,1,0,0,1,0|1,0,1]=4 76 B14R1.946 C=CCNC(=O)NC1=C(C=CC=C1)Br Z409533410 [0,1,0,0,1,0|2,0,0]=4 77 B14R1.946 C=CCNC(=O)NC1=C(C=CC=C1)I Z409662378 [0,1,0,0,1,0|2,0,0]=4 78 B14R1.155 C=CCNC(=O)/C=C/C1=CC=C(S1)Br Z30518698 [0,1,0,0,1,0|2,0,0]=4 79 B14R1.4526 NC(=O)COC(=O)/C=C/C1=CC=CS1 Z18560300 [0,1,0,0,1,0|2,0,0]=4 80 B16R1.700 C=CCNC(=O)CNC(=O)C1=CC=CC=C1 Z32064621 [0,1,0,0,0,1|1,0,1]=4 81 B16R1.608 O=C(O)CCNC(=O)/C=C/C1=CC=CC=C1 Z57023704 [0,2,0,0,0,0|1,0,1]=4 82 B16R1.688 CCCCCOC(=O)/C=C/C1=CC=CC=C1 Z762368632 [0,2,0,0,0,0|0,0,2]=4 83 B16R1.1343 COC(=O)CNC(=O)/C=C/C1=CC=CC=C1 Z24046761 [0,2,0,0,0,0|1,0,1]=4 84 B16R1.11227 NC(=O)COC(=O)/C=C/C1=CC(=CC=C1)Br Z18646515 [0,2,0,0,0,0|1,0,0]=3 85 B16R1.20755 C=CCNC(=O)/C=C/C1=CC=CC(=C1)OC Z32064885 [0,2,0,0,0,0|1,0,0]=3 86 B16R1.1061 NC(=O)COC(=O)/C=C/C1=CC=C(C=C1)Cl Z19823313 [0,2,0,0,0,0|1,0,0]=3 87 B16R1.1061 O=C(/C=C/C1=CC=C(C=C1)Cl)OCC(F)F Z762581090 [0,2,0,0,0,0|1,0,1]=4 88 B16R1.1480 COC1=CC=C(C=C1)/C=C/C(=O)OCC#N Z19784223 [0,2,0,0,0,0|1,0,1]=4 89 B16R1.4122 CC(NC(=O)/C=C/C1=CC=CC=C1)C(=O)O Z56347601 [0,2,0,0,0,0|2,0,0]=4 90 B16R1.4122 C[C@H](NC(=O)/C=C/C1=CC=CC=C1)C(=O)O Z57023692 [0,2,0,0,0,0|2,0,0]=4 91 B16R1.400 O=C(O)CNC(=O)/C=C/C1=C(C=CC=C1)Br Z85887335 [0,2,0,0,0,0|2,0,0]=4 92 B14R2.7150 O=CCC1=C2C=CC=CC2=CC=C1 Z1020779918 [1,0,0,1,0,0|2,0,0]=4 93 B14R2.21 NC1=CC(=CC=C1)C2=CC=CC=C2 Z732776406 [1,0,0,1,0,0|1,0,1]=4 94 B14R2.21 O=C1C=C(CCC1)C2=CC=CC=C2 Z1201617608 [1,0,0,1,0,0|0,0,2]=4 95 B14R2.21 O=C1C=C(N=CN1)C2=CC=CC=C2 Z276162008 [1,0,0,1,0,0|2,0,0]=4 96 B14R2.21 O=C1N=C(C=CN1)C2=CC=CC=C2 Z1888397838 [1,0,0,1,0,0|2,0,0]=4 97 B14R2.112 CCOC1=CC2=C(C=CC=C2)C=C1 Z53835291 [1,0,0,1,0,0|1,0,1]=4 98 B14R2.991 C=CCOC1=CC2=C(C=C1)NC=C2 Z1255443963 [0,0,0,1,1,0|2,0,0]=4 99 B16R2.37 CCCOC(=O)C1=CNC2=C1C=CC=C2 Z289431414 [0,0,0,1,0,1|0,0,2]=4 100 B16R2.37 N#CCOC(=O)C1=CNC2=C1C=CC=C2 Z88096116 [0,0,0,1,0,1|1,0,1]=4 101 B16R2.150 C=CCNC1=NC(=CS1)C2=CC=CC=C2 Z48852773 [0,0,0,1,0,1|2,0,0]=4 102 B16R2.2238 O=C(/C=C/C1=CC=CC=C1)C2=CC=CS2 Z46041954 [0,1,0,1,0,0|0,1,1]=4 103 B16R2.2441 Cl/C=C/CSC1=CC2=C(C=CC=C2)C=C1 Z17458840 [0,1,0,1,0,0|1,1,0]=4 104 B16R2.2128 C=CCNC(=O)C1=CC2=C(O1)C=CC=C2 Z32064784 [0,1,0,1,0,0|1,0,0]=3 105 B16R2.2128 CCCOC(=O)C1=CC2=C(N1)C=CC=C2 Z54724098 [0,1,0,1,0,0|0,0,2]=4 106 B16R2.2128 N#CCOC(=O)C1=CC2=C(N1)C=CC=C2 Z17755630 [0,1,0,1,0,0|1,0,1]=4 107 B16R2.2128 N#CCOC(=O)C1=CC2=C(O1)C=CC=C2 Z15842108 [0,1,0,1,0,0|1,0,1]=4 108 B16R2.333 NC(=O)CN1C(=O)C=CC2=C1C=CC=C2 Z1192340195 [0,1,0,1,0,0|2,0,0]=4 109 B16R2.477 N=C(N)COC1=CC2=C(C=CC=C2)C=C1 Z4450271701 [0,1,0,1,0,0|2,0,0]=4 110 B16R2.477 NC(=O)COC1=CC2=C(C=CC=C2)C=C1 Z19834621 [0,1,0,1,0,0|2,0,0]=4 111 B16R2.477 O=C(O)COC1=CC2=C(C=CC=C2)C=C1 Z57246951 [0,1,0,1,0,0|2,0,0]=4 112 B16R3.17428 O=C1NCC2=C1N=C3C=CC=CC3=C2 Z1509143160 [0,0,0,2,0,0|2,0,0]=4 113 B12R1.30 C=CCCC(=O)C1=CC=CC=C1 Z406376458 [0,0,0,0,2,0|1,0,0]=3 114 B12R1.30 C=CCNC(=O)C1=CC=NC=C1 Z32064550 [0,0,0,0,2,0|2,0,0]=4 115 B12R1.30 CCCOC(=O)C1=CC=CC=C1 Z53835171 [0,0,0,0,2,0|0,0,2]=4 116 B12R1.30 O=C(OCCCl)C1=CC=CC=C1 Z56928949 [0,0,0,0,2,0|1,0,1]=4 117 B12R1.30 O=C(OCCO)C1=CC=CC=C1 Z228585788 [0,0,0,0,2,0|1,0,1]=4