0 B14R2.510 O=C1NC(C2=C1C=CC=C2)CCO Z1509190484 [0,0,0,0,0,0|2,0,2]=4 1 B13R2.1 CCSC1=NC=C2N1C=CC=C2 Z24719806 [1,0,0,0,0,0|3,0,0]=4 2 B13R2.2931 CCN1N=C(C2=C1C=CC=C2)Cl Z1570974375 [1,0,0,0,0,0|3,0,0]=4 3 B13R2.2931 NCC1NC(=O)C2=C1C=CC=C2 Z3327074187 [1,0,0,0,0,0|2,0,1]=4 4 B13R2.2931 O=C1N/C(=N/O)/C2=C1C=CC=C2 Z2418414106 [1,0,0,0,0,0|3,0,0]=4 5 B15R2.10698 CCCN1C(=O)C(=O)C2=C1C=CC=C2 Z56886279 [0,1,0,0,0,0|2,0,1]=4 6 B15R2.23388 COC(=O)C1CC(=O)C2=C1C=CC=C2 Z1198158757 [0,1,0,0,0,0|2,0,1]=4 7 B15R2.23388 COC(=O)C1NC(=O)C2=C1C=CC=C2 Z1255406307 [0,1,0,0,0,0|2,0,1]=4 8 B15R2.56234 CCNC1=NS(=O)(=O)C2=C1C=CC=C2 Z31223976 [0,1,0,0,0,0|3,0,0]=4 9 B13R1.24 CCCCNC(=O)C1=CC=CC=C1 Z31763402 [0,0,1,0,0,0|1,0,2]=4 10 B13R1.24 CCCCOC(=O)C1=CC=CC=C1 Z104473208 [0,0,1,0,0,0|0,0,2]=3 11 B13R1.24 O=C(N/N=C/CCl)C1=CC=CC=C1 Z56946854 [0,0,1,0,0,0|3,0,0]=4 12 B13R1.464 CCNC(=O)C1=C(C=CC=C1)C=O Z1068186392 [0,0,1,0,0,0|1,0,1]=3 13 B13R1.572 CCCNC1=C(C=CC=C1)C(=O)O Z111833842 [0,0,1,0,0,0|1,0,1]=3 14 B13R1.572 CCCOC1=C(N=CC=C1)C(=O)O Z808643222 [0,0,1,0,0,0|2,0,1]=4 15 B13R1.572 CNCCC1=C(C=CC=C1)C(=O)O Z1665033404 [0,0,1,0,0,0|1,0,2]=4 16 B13R1.572 NCCSC1=C(C=CC=C1)C(=O)O Z1269152864 [0,0,1,0,0,0|2,0,1]=4 17 B13R1.572 O=C(O)C1=C(C=CC=C1)NCCO Z56845199 [0,0,1,0,0,0|2,0,1]=4 18 B13R1.572 O=C(O)C1=C(C=CC=C1)OCCO Z118461564 [0,0,1,0,0,0|2,0,1]=4 19 B13R1.572 O=C(O)C1=C(C=CC=C1)SCCO Z118461552 [0,0,1,0,0,0|2,0,1]=4 20 B13R1.572 O=[N+]([O-])C1=C(C=CC=C1)/C=C/CO Z1198223850 [0,0,1,0,0,0|2,0,1]=4 21 B15R3.14759 O=C1CC2CCCC3=C2C1=CC=C3 Z1157837458 [0,0,0,1,0,0|1,0,2]=4 22 B15R3.14759 O=C1CC2NCCC3=C2C1=CC=C3 Z199468224 [0,0,0,1,0,0|2,0,1]=4 23 B15R3.14759 O=C1NC2=C3C1=CC=CC3=CC=C2 Z56899189 [0,0,0,1,0,0|1,0,2]=4 24 B15R3.14759 O=C1OC2=C3C1=CC=CC3=CC=C2 Z1198152020 [0,0,0,1,0,0|0,0,2]=3 25 B15R2.886 CCCC1=CC(=O)C2=C(N1)C=CC=C2 Z445211724 [0,0,0,0,0,1|1,0,1]=3 26 B15R2.886 CCCC1=NC2=C(C=CC=C2)C(=C1)Cl Z445213508 [0,0,0,0,0,1|2,0,1]=4 27 B15R2.886 CCCC1=NC2=C(C=CC=C2)C(=O)N1 Z666585722 [0,0,0,0,0,1|1,0,1]=3 28 B15R2.886 CSCC1=NC2=C(C=CC=C2)C(=O)N1 Z599629814 [0,0,0,0,0,1|2,0,1]=4 29 B15R2.886 N#C/C=C/1\NC(=O)C2=C(S1)C=CC=C2 Z56862289 [0,0,0,0,0,1|2,0,1]=4 30 B15R2.4382 CCNC1=C2C=CC=CC2=C(N=N1)C Z49525841 [0,0,0,0,0,1|3,0,0]=4 31 B15R2.4382 CCOC1=C2C=CC=CC2=C(N=N1)Cl Z959323546 [0,0,0,0,0,1|3,0,0]=4 32 B15R2.4392 CCNC1=C2C=CC=CC2=NC(=N1)S Z111411710 [0,0,0,0,0,1|2,1,0]=4 33 B12R1.30 CCCOC(=O)C1=CC=CC=C1 Z53835171 [1,0,1,0,0,0|0,0,1]=3 34 B12R1.30 CCSCC(=O)C1=CC=CC=C1 Z447928014 [1,0,1,0,0,0|1,0,1]=4 35 B12R1.30 O=C(OCCCl)C1=CC=CC=C1 Z56928949 [1,0,1,0,0,0|1,0,1]=4 36 B12R1.30 O=C(OCCO)C1=CC=CC=C1 Z228585788 [1,0,1,0,0,0|1,0,1]=4 37 B12R1.3 CCCC(C=O)C1=CC=CC=C1 Z1251357295 [1,0,1,0,0,0|0,0,2]=4 38 B12R1.77 CNC(=O)C1=C(C=CC=C1)C=O Z1068186268 [1,0,1,0,0,0|1,0,1]=4 39 B12R1.77 COC(=O)C1=C(C=CC=C1)C=O Z54125420 [1,0,1,0,0,0|1,0,1]=4 40 B12R1.283 CCCC1=C(C=CC=C1)C(=O)O Z1255462246 [1,0,1,0,0,0|0,0,1]=3 41 B12R1.283 CCNC1=C(N=CC=C1)C(=O)O Z2768134920 [1,0,1,0,0,0|2,0,0]=4 42 B12R1.283 CCOC1=C(C=CC=C1)C(=O)C Z54530097 [1,0,1,0,0,0|2,0,0]=4 43 B12R1.283 CCOC1=C(C=CC=C1)C(=O)N Z54953371 [1,0,1,0,0,0|2,0,0]=4 44 B12R1.283 CCOC1=C(C=CC=C1)C(=O)O Z104478128 [1,0,1,0,0,0|1,0,0]=3 45 B12R1.283 CCOC1=C(C=CC=N1)C(=O)O Z104495504 [1,0,1,0,0,0|2,0,0]=4 46 B12R1.283 CCOC1=C(N=CC=C1)C(=O)O Z808643270 [1,0,1,0,0,0|2,0,0]=4 47 B12R1.283 CCSC1=C(C=CC=C1)C(=O)C Z332382328 [1,0,1,0,0,0|2,0,0]=4 48 B12R1.283 CCSC1=C(C=CN=C1)C(=O)O Z1262517373 [1,0,1,0,0,0|2,0,0]=4 49 B12R1.283 CCSC1=C(N=CC=C1)C(=O)O Z1262530511 [1,0,1,0,0,0|2,0,0]=4 50 B12R1.283 COCC1=C(C=CC=C1)C(=O)O Z359517772 [1,0,1,0,0,0|1,0,1]=4 51 B12R1.283 NCCC1=C(C=CC=C1)C(=O)O Z1431905053 [1,0,1,0,0,0|1,0,1]=4 52 B12R2.1 CCC1=CNC2=C1C=CC=C2 Z1198159100 [2,0,0,0,0,0|2,0,0]=4 53 B12R2.2028 CC1CC(=O)C2=C1C=CC=C2 Z335243948 [2,0,0,0,0,0|1,0,1]=4 54 B12R2.2028 CN1NC(=O)C2=C1C=CC=C2 Z1255452290 [2,0,0,0,0,0|2,0,0]=4 55 B12R2.2028 NC1=NC(=O)C2=C1C=CC=C2 Z316121514 [2,0,0,0,0,0|2,0,0]=4 56 B12R2.2028 O=C1CC(=O)C2=C1C=CC=C2 Z57131040 [2,0,0,0,0,0|2,0,0]=4 57 B12R2.2028 O=C1NC(=O)C2=C1C=CC=C2 Z57127356 [2,0,0,0,0,0|2,0,0]=4 58 B12R2.2028 O=C1OC(=O)C2=C1C=CC=N2 Z235344909 [2,0,0,0,0,0|2,0,0]=4 59 B12R2.2028 O=C1OC(C2=C1C=CC=C2)O Z104507040 [2,0,0,0,0,0|1,0,1]=4 60 B14R1.19 CCCCOC(=O)C1=CC=C(C=C1)Cl Z291806332 [0,1,1,0,0,0|0,0,2]=4 61 B14R1.19 CCCCOC(=O)C1=CC=C(C=C1)N Z57126994 [0,1,1,0,0,0|0,0,2]=4 62 B14R1.19 CCCCOC(=O)C1=CC=C(C=C1)O Z291799028 [0,1,1,0,0,0|0,0,2]=4 63 B14R1.20 CC/C=N/NC(=O)C1=CC(=CC=C1)F Z56755313 [0,1,1,0,0,0|2,0,0]=4 64 B14R1.20 CCCCOC(=O)C1=CC(=CC=C1)C Z291916492 [0,1,1,0,0,0|0,0,2]=4 65 B14R1.29 CCOC(=O)CC(=O)C1=CC=CC=C1 Z57055787 [0,1,1,0,0,0|2,0,0]=4 66 B14R1.29 CCOC(=S)NC(=O)C1=CC=CC=C1 Z56871891 [0,1,1,0,0,0|2,0,0]=4 67 B14R1.38 CC/C=C/COC(=O)C1=NC=CC=N1 Z1354415442 [0,1,1,0,0,0|2,0,0]=4 68 B14R1.163 COC(=O)/C=C/C(=O)C1=CC=CC=C1 Z381040998 [0,1,1,0,0,0|2,0,0]=4 69 B14R1.67 CCCNC1=C(C=C(C=C1)C)C(=O)O Z111833874 [0,1,1,0,0,0|1,0,1]=4 70 B14R1.67 CCCOC1=C(C=C(C=C1)Cl)C(=O)O Z111427908 [0,1,1,0,0,0|1,0,1]=4 71 B14R1.903 CCCCNC1=C(C=CC=C1)C(=O)O Z56870802 [0,1,1,0,0,0|0,0,2]=4 72 B14R1.903 COCCOC1=C(C=CC=C1)C(=O)O Z227717390 [0,1,1,0,0,0|1,0,1]=4 73 B14R1.3302 CCC(=O)NC1=C(C=CC=C1)C(=O)O Z85878916 [0,1,1,0,0,0|1,0,0]=3 74 B14R1.3302 CCC(C)OC1=C(C=CC=C1)C(=O)O Z336337244 [0,1,1,0,0,0|1,0,1]=4 75 B14R1.3302 COC(=O)CC1=C(C=CC=C1)C(=O)O Z1198154414 [0,1,1,0,0,0|1,0,1]=4 76 B14R1.3302 COC(=O)NC1=C(C=CC=C1)C(=O)O Z192948536 [0,1,1,0,0,0|2,0,0]=4 77 B14R1.3302 O=C(CCl)NC1=C(C=CC=C1)C(=O)O Z56891406 [0,1,1,0,0,0|2,0,0]=4 78 B14R1.4522 CC(C)CNC1=C(C=CC=C1)C(=O)O Z111833848 [0,1,1,0,0,0|1,0,1]=4 79 B14R1.4522 CC(C)COC1=C(C=CC=C1)C(=O)O Z118459080 [0,1,1,0,0,0|1,0,1]=4 80 B14R2.19306 CCN1C(=O)C(=O)C2=C1C=CC=C2 Z56791052 [1,1,0,0,0,0|2,0,0]=4 81 B14R2.19587 CCC1=NC(=C2N1C=CC=C2)C=O Z57728445 [1,1,0,0,0,0|2,0,0]=4 82 B14R2.19587 CCN1C=C(C2=C1C=CC=C2)C=O Z57498107 [1,1,0,0,0,0|2,0,0]=4 83 B14R2.19587 CCN1N=C(C2=C1C=CC=C2)C=O Z1525508496 [1,1,0,0,0,0|2,0,0]=4 84 B14R2.25733 CC(C)C1CC(=O)C2=C1C=CC=C2 Z1157837453 [1,1,0,0,0,0|1,0,1]=4 85 B14R2.25733 O=C1OC(C2=C1C=CC=C2)C(=O)O Z1198161402 [1,1,0,0,0,0|1,0,1]=4 86 B16R2.1054 CCNCC1=NC2=C(C=CC=C2)C(=O)N1 Z44508631 [0,1,0,0,0,1|1,0,1]=4 87 B16R2.21680 CCCC1=NC2=C(C=C(C=C2)F)C(=O)N1 Z666684252 [0,1,0,0,0,1|1,0,1]=4 88 B16R2.21738 CCSC1=NC2=C(C=CC=C2)C(=O)N1C Z24196705 [0,1,0,0,0,1|2,0,0]=4 89 B16R2.33887 CNC(=O)C1=CC(=O)C2=C(O1)C=CC=C2 Z32016672 [0,1,0,0,0,1|2,0,0]=4 90 B16R2.33887 CNC(=O)C1=NC2=C(C=CC=C2)C(=O)N1 Z332370018 [0,1,0,0,0,1|2,0,0]=4 91 B16R2.33887 COC(=O)C1=CC(=O)C2=C(N1)C=CC=C2 Z98300469 [0,1,0,0,0,1|2,0,0]=4 92 B16R2.33887 COC(=O)C1=CC(=O)C2=C(O1)C=CC=C2 Z18483210 [0,1,0,0,0,1|2,0,0]=4 93 B16R2.33887 COC(=O)C1=CC2=C(C=CC=C2)C(=O)N1 Z66803344 [0,1,0,0,0,1|2,0,0]=4 94 B16R2.33887 COC(=O)C1=CC2=C(C=CC=C2)C(=O)O1 Z1966964149 [0,1,0,0,0,1|1,0,0]=3 95 B16R2.33942 COC(=O)C1=NNC(=O)C2=C1C=CC=C2 Z56851232 [0,1,0,0,0,1|2,0,0]=4 96 B16R2.33951 COC(=O)C1=CC(=O)NC2=C1C=CC=C2 Z211347112 [0,1,0,0,0,1|2,0,0]=4 97 B16R2.113313 CCCC1=CC(=O)OC2=C1C=CC(=C2)O Z56895685 [0,1,0,0,0,1|1,0,1]=4 98 B14R2.8 ClCC1=COC(=N1)C2=CC=CC=C2 Z56347590 [0,0,1,1,0,0|2,0,0]=4 99 B14R2.8 NCC1=COC(=N1)C2=CC=CC=C2 Z1259335888 [0,0,1,1,0,0|2,0,0]=4 100 B14R2.8 OCC1=COC(=N1)C2=CC=CC=C2 Z431952170 [0,0,1,1,0,0|2,0,0]=4 101 B14R2.14 NCC1=C(OC=N1)C2=CC=CC=C2 Z2310679435 [0,0,1,1,0,0|2,0,0]=4 102 B14R2.3348 O=CC1=C(C=CC=C1)C(=O)C2CC2 Z4458704613 [0,0,1,1,0,0|0,0,2]=4 103 B14R2.7724 CC1=CC(=O)C2=C(C1=O)C=CC=C2 Z1255430959 [0,0,1,1,0,0|0,0,2]=4 104 B14R2.7724 CN1C=C(C2=C(C1=O)C=CC=C2)Br Z1269128654 [0,0,1,1,0,0|2,0,0]=4 105 B14R2.7724 CN1C=C(C2=C(C1=O)C=CC=C2)I Z1862014185 [0,0,1,1,0,0|2,0,0]=4 106 B14R2.4 CC1=CSC2=C1C=CC=C2C(=O)O Z1262561850 [0,0,1,1,0,0|1,0,1]=4 107 B14R2.4 CC1COC2=C(C=CC=C12)C(=O)O Z1262515212 [0,0,1,1,0,0|1,0,1]=4 108 B14R2.4 CN1C=CC2=C1C=CC=C2C(=O)O Z415653582 [0,0,1,1,0,0|1,0,0]=3 109 B14R2.4 CN1C=NC2=C1C=CC=C2C(=O)O Z1198223126 [0,0,1,1,0,0|2,0,0]=4 110 B14R2.1019 CCC1=CC(=O)C2=C(N1)C=CC=C2 Z445211736 [0,0,1,1,0,0|2,0,0]=4 111 B14R2.9513 O=C(O)C1=C(C=CC=C1)OC2CC2 Z1255375233 [0,0,1,1,0,0|1,0,1]=4 112 B14R2.9532 O=C(O)C1=C(C=CC=C1)C2CCC2 Z1262557098 [0,0,1,1,0,0|0,0,2]=4 113 B14R2.31359 O=C(O)C1=C2C=CN=CC2=CC=C1 Z1192357300 [0,0,1,1,0,0|1,0,1]=4 114 B14R2.31359 O=C(O)C1=C2CCCCC2=CC=C1 Z1198156984 [0,0,1,1,0,0|0,0,2]=4 115 B14R2.31359 O=C(O)C1=C2CNCCC2=CC=C1 Z2679868750 [0,0,1,1,0,0|1,0,1]=4 116 B14R2.31359 O=C(O)C1=C2COCCC2=CC=C1 Z1416187975 [0,0,1,1,0,0|1,0,1]=4 117 B14R2.31359 O=C(O)C1=C2OCCCC2=CC=C1 Z1201626365 [0,0,1,1,0,0|1,0,1]=4 118 B14R2.31359 O=C(O)C1=C2SCCCC2=CC=C1 Z1551926859 [0,0,1,1,0,0|1,0,1]=4 119 B14R2.11645 CCC1=C2NC(=O)C(=O)C2=CC=C1 Z247609798 [0,0,1,1,0,0|2,0,0]=4 120 B16R3.2754 O=C1C2=C(C=CC=C2)N=C3N1CCC3 Z275210418 [0,0,0,1,0,1|1,0,1]=4 121 B16R3.2754 O=C1C2=C(C=CC=C2)N=C3N1CCO3 Z1255390974 [0,0,0,1,0,1|2,0,0]=4 122 B16R3.31922 O=C1NC(=NC2=C1C=CC=C2)C3CC3 Z790346658 [0,0,0,1,0,1|1,0,1]=4 123 B16R3.153 O=C1O[Hg]C2=C3C1=CC=CC3=CC=C2 Z56779215 [0,0,0,1,0,1|0,0,2]=4 124 B14R2.112 CCNC1=CC2=C(C=CC=C2)C=C1 Z286374752 [1,0,0,0,0,1|2,0,0]=4 125 B14R2.112 CCOC1=CC2=C(C=CC=C2)C=C1 Z53835291 [1,0,0,0,0,1|2,0,0]=4 126 B14R2.1146 CCC1=CC(=O)NC2=C1C=CC=C2 Z1258980280 [1,0,0,0,0,1|1,0,0]=3 127 B14R2.1146 CNC1=CC(=O)OC2=C1C=CC=C2 Z1262566298 [1,0,0,0,0,1|2,0,0]=4 128 B14R2.1146 COC1=CC(=O)NC2=C1C=CC=C2 Z3227040961 [1,0,0,0,0,1|2,0,0]=4 129 B14R2.1146 NCC1=CC(=O)NC2=C1C=CC=C2 Z1259162071 [1,0,0,0,0,1|2,0,0]=4