0 B15R2.11 NS(=O)(=O)CC1=NOC2=C1C=CC=C2 Z223042524 [0,0,0,0,0,0|0,0,0]=0 1 B15R2.11 O=S(=O)(F)CC1=NOC2=C1C=CC=C2 Z2907423451 [0,0,0,0,0,0|1,0,0]=1 2 B14R2.2 NC(=O)CC1=CNC2=C1C=CC=C2 Z33546521 [1,0,0,0,0,0|3,0,0]=4 3 B14R2.2 NC(=O)CC1=NOC2=C1C=CC=C2 Z101186134 [1,0,0,0,0,0|1,0,0]=2 4 B14R2.2 NC(=O)CC1=NSC2=C1C=CC=C2 Z1198158706 [1,0,0,0,0,0|1,1,0]=3 5 B14R2.2 NC(=O)CN1N=NC2=C1C=CC=C2 Z56774274 [1,0,0,0,0,0|3,0,0]=4 6 B14R2.2 O=C(O)CC1=COC2=C1C=CC=C2 Z119989454 [1,0,0,0,0,0|2,0,1]=4 7 B14R2.2 O=C(O)CC1=NNC2=C1C=CC=C2 Z335442472 [1,0,0,0,0,0|2,0,1]=4 8 B14R2.2 O=C(O)CC1=NOC2=C1C=CC=C2 Z99600464 [1,0,0,0,0,0|1,0,1]=3 9 B14R2.2 O=C(O)CC1=NSC2=C1C=CC=C2 Z1262511380 [1,0,0,0,0,0|1,1,1]=4 10 B14R1.3331 NS(=O)(=O)CCOCC1=CC=CC=C1 Z1206904541 [0,0,1,0,0,0|2,0,1]=4 11 B14R1.4451 CS(=O)(=O)CC(=O)C1=C(C=CC=C1)F Z992242070 [0,0,1,0,0,0|3,0,0]=4 12 B14R1.4451 NS(=O)(=O)CC(=O)C1=C(C=CC=C1)O Z1513845782 [0,0,1,0,0,0|1,0,0]=2 13 B14R2.286 NS(=O)(=O)C1=CN=C2N1C=CC=C2 Z1255384633 [0,0,0,0,1,0|3,0,0]=4 14 B14R2.286 NS(=O)(=O)C1=COC2=C1C=CC=C2 Z2963159684 [0,0,0,0,1,0|1,0,0]=2 15 B14R2.286 NS(=O)(=O)C1=CSC2=C1C=CC=C2 Z1160860142 [0,0,0,0,1,0|1,1,0]=3 16 B14R2.286 NS(=O)(=O)N1CCC2=C1C=CC=C2 Z300122002 [0,0,0,0,1,0|3,0,0]=4 17 B14R2.286 O=S(=O)(F)C1=COC2=C1C=CC=C2 Z2941536633 [0,0,0,0,1,0|2,0,0]=3 18 B14R2.286 O=S(=O)(F)C1=NC=C2N1C=CC=C2 Z2235811881 [0,0,0,0,1,0|3,0,0]=4 19 B16R2.2947 CS(=O)(=O)CCC1=NSC2=C1C=CC=C2 Z2720799474 [0,0,0,0,0,1|1,1,0]=3 20 B16R2.2947 NS(=O)(=O)CCC1CCC2=C1C=CC=C2 Z2234197721 [0,0,0,0,0,1|2,0,1]=4 21 B16R2.2947 O=S(=O)(F)CCN1N=NC2=C1C=CC=C2 Z166653158 [0,0,0,0,0,1|3,0,0]=4 22 B16R2.248309 CS(=O)(=O)CC1=C2C=CC=CC2=CC=C1 Z416962208 [0,0,0,0,0,1|3,0,0]=4 23 B16R2.248309 NS(=O)(=O)CC1=C2C=CC=NC2=CC=C1 Z1622956959 [0,0,0,0,0,1|3,0,0]=4 24 B16R2.248309 NS(=O)(=O)CC1=C2N=CC=CC2=CC=C1 Z385450920 [0,0,0,0,0,1|3,0,0]=4 25 B16R2.248309 NS(=O)(=O)NC1CCOC2=C1C=CC=C2 Z300364294 [0,0,0,0,0,1|2,0,1]=4 26 B13R1.157 NS(=O)(=O)/C=C/C1=C(C=CC=C1)Cl Z2312957338 [1,0,1,0,0,0|1,0,1]=4 27 B13R1.157 NS(=O)(=O)CCC1=C(C=CC=C1)Br Z2106010033 [1,0,1,0,0,0|1,0,1]=4 28 B13R1.157 NS(=O)(=O)CCC1=C(C=CC=C1)F Z1622956560 [1,0,1,0,0,0|1,0,1]=4 29 B13R1.352 CC(CS(=O)(=O)N)C1=CC=CC=C1 Z954606858 [1,0,1,0,0,0|1,0,1]=4 30 B13R1.352 CS(=O)(=O)CC(=O)C1=CC=CC=C1 Z957336744 [1,0,1,0,0,0|1,0,1]=4 31 B13R1.352 CS(=O)(=O)CC(O)C1=CC=CC=C1 Z822382694 [1,0,1,0,0,0|1,0,1]=4 32 B13R2.1 NCCC1=NOC2=C1C=CC=C2 Z2492774449 [2,0,0,0,0,0|1,0,0]=3 33 B15R2.377 O=C(O)CC1=NOC2=C1C=CC(=C2)F Z1255451112 [1,1,0,0,0,0|1,0,1]=4 34 B15R2.9410 O=C(O)CC1=NOC2=C1C=C(C=C2)Br Z1269167493 [1,1,0,0,0,0|1,0,1]=4 35 B15R2.9410 O=C(O)CC1=NOC2=C1C=C(C=C2)F Z1262525596 [1,1,0,0,0,0|1,0,1]=4 36 B15R2.994 CN1N=C2C=CC=CC2=C1S(=O)(=O)N Z2936525835 [0,1,0,0,1,0|1,0,1]=4 37 B15R2.2291 CNS(=O)(=O)C1=CSC2=C1C=CC=C2 Z1269179282 [0,1,0,0,1,0|1,1,0]=4 38 B15R2.53146 CN1C=C(C2=C1C=CC=C2)S(=O)(=O)N Z1416195814 [0,1,0,0,1,0|2,0,0]=4 39 B15R2.109477 NS(=O)(=O)C1CCOC2=C1C=CC=C2 Z954606530 [0,0,1,1,0,0|1,0,1]=4 40 B13R1.622 COC1=C(C=CC=C1)CS(=O)(=O)F Z2732843737 [0,0,1,0,1,0|2,0,0]=4 41 B13R1.622 COC1=C(C=CC=C1)CS(=O)(=O)N Z839114522 [0,0,1,0,1,0|1,0,0]=3 42 B13R1.622 N#CC1=C(C=CC=C1)CS(=O)(=O)N Z132909010 [0,0,1,0,1,0|1,0,1]=4 43 B13R1.622 NCC1=C(C=CC=C1)CS(=O)(=O)N Z3064010645 [0,0,1,0,1,0|1,0,1]=4 44 B13R1.3523 NS(=O)(=O)CCCC1=CC=CC=C1 Z820117348 [0,0,1,0,1,0|1,0,1]=4 45 B13R1.3523 NS(=O)(=O)CCOC1=CC=CC=C1 Z839122596 [0,0,1,0,1,0|0,0,1]=3 46 B13R1.3523 NS(=O)(=O)CCSC1=CC=CC=C1 Z1251373183 [0,0,1,0,1,0|0,1,1]=4 47 B13R2.72 NC(=O)C1=NSC2=C1C=CC=C2 Z1255488848 [1,0,0,0,1,0|1,1,0]=4 48 B15R1.3890 NS(=O)(=O)CCCOCC1=CC=CC=C1 Z1206904539 [0,0,1,0,0,1|1,0,1]=4 49 B17R2.533832 NS(=O)(=O)NCC1=C2C=CC=CC2=CC=C1 Z923953820 [0,0,0,0,0,2|2,0,0]=4