0 B19R1.59546 C=CCN(CC=C)S(=O)(=O)C1=CC=C(C=C1)C(=O)O Z53038107 [0,0,0,0,0,0|0,0,4]=4 1 B19R1.59546 CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)N Z56823526 [0,0,0,0,0,0|1,0,0]=1 2 B19R1.59546 CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)O Z53037954 [0,0,0,0,0,0|0,0,0]=0 3 B19R1.59546 O=[N+]([O-])C1=CC=C(C=C1)S(=O)(=O)N(CCO)CCO Z797585548 [0,0,0,0,0,0|3,0,1]=4 4 B18R1.44184 CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)CC Z65518356 [1,0,0,0,0,0|1,0,1]=3 5 B18R1.44184 CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)NC Z382815272 [1,0,0,0,0,0|2,0,0]=3 6 B20R1.75554 CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC Z165165536 [0,1,0,0,0,0|1,0,0]=2 7 B20R1.75555 CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)C Z285665192 [0,1,0,0,0,0|1,0,1]=3 8 B20R1.75588 C=CCN(CCC)S(=O)(=O)C1=CC(=C(C=C1)C(=O)O)C Z2039518672 [0,1,0,0,0,0|0,0,2]=3 9 B20R2.46414 NCC1CCCN1S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] Z1491334454 [0,0,0,1,0,0|2,0,1]=4 10 B20R2.69507 CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2C[C@@H]([C@@H](C2)O)O Z1318527767 [0,0,0,1,0,0|3,0,0]=4 11 B20R2.69507 CC1CN(CC1N)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] Z1888380402 [0,0,0,1,0,0|2,0,1]=4 12 B20R2.153529 CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C Z45511409 [0,0,0,1,0,0|1,0,0]=2 13 B20R2.153529 CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)O Z53035948 [0,0,0,1,0,0|0,0,0]=1 14 B20R2.153529 CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(C)C Z45511422 [0,0,0,1,0,0|2,0,1]=4 15 B20R2.153529 CC1CN(CCO1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N Z216464608 [0,0,0,1,0,0|2,0,0]=3 16 B20R2.153529 NC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] Z1491211757 [0,0,0,1,0,0|2,0,1]=4 17 B20R2.153529 N[C@@H]1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] Z1817137132 [0,0,0,1,0,0|2,0,1]=4 18 B20R2.153529 O=C1CN(CCN1)S(=O)(=O)C2=CC=C(C=C2)C(=O)O Z53028655 [0,0,0,1,0,0|2,0,1]=4 19 B20R2.756850 CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2 Z45507341 [0,0,0,1,0,0|1,0,0]=2 20 B20R2.756850 NC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2 Z33546918 [0,0,0,1,0,0|1,0,0]=2 21 B20R2.756850 O=C(O)C1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2 Z53035336 [0,0,0,1,0,0|0,0,0]=1 22 B20R1.75553 CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)NC(=O)C Z45524714 [0,0,0,0,0,1|1,0,0]=2 23 B17R1.2893 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)C Z45516155 [2,0,0,0,0,0|1,0,0]=3 24 B17R1.2893 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)N Z33546917 [2,0,0,0,0,0|1,0,0]=3 25 B17R1.2893 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)O Z53036662 [2,0,0,0,0,0|0,0,0]=2 26 B17R1.17918 CCCN(CC)C(=O)C1=CC=C(C=C1)C(=O)O Z425332930 [2,0,0,0,0,0|1,0,0]=3 27 B17R1.18809 C=CCN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)O Z1513805896 [2,0,0,0,0,0|0,0,2]=4 28 B17R1.18809 CN(CCO)S(=O)(=O)C1=CC=C(C=C1)C(=O)O Z385450398 [2,0,0,0,0,0|1,0,0]=3 29 B17R1.1719 CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)Br Z45524709 [2,0,0,0,0,0|1,0,0]=3 30 B17R1.1719 CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)I Z300110344 [2,0,0,0,0,0|1,0,0]=3 31 B19R1.12152 CCCCN(OC)S(=O)(=O)C1=CC=C(C=C1)C(=O)O Z3008667897 [1,1,0,0,0,0|1,0,0]=3 32 B19R1.31951 CCN(CC#N)S(=O)(=O)C1=CC(=C(C=C1)C(=O)O)F Z1682179434 [1,1,0,0,0,0|1,0,1]=4 33 B19R1.151199 CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)OCC Z45524723 [1,1,0,0,0,0|1,0,1]=4 34 B19R1.60289 CCCN(CCC)C(=O)C1=CC=C(C=C1)C(=O)OC Z31777817 [1,1,0,0,0,0|1,0,0]=3 35 B19R1.73517 CCCN(CC(F)F)S(=O)(=O)C1=CC=C(S1)C(=O)O Z2237699039 [0,1,0,0,1,0|2,0,0]=4 36 B21R1.88668 COC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(CCO)CCO Z56768651 [0,1,0,0,0,1|2,0,0]=4 37 B21R1.1265374 CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)NC Z300110352 [0,2,0,0,0,0|1,0,1]=4 38 B21R1.1265643 COC(=O)C1=CC(=C(C=C1)S(=O)(=O)N(CCO)CCO)C Z1566003028 [0,2,0,0,0,0|2,0,0]=4 39 B21R1.120445 CCCN(CC(=O)NC)S(=O)(=O)C1=CC=C(C=C1)C(=O)O Z734034492 [0,2,0,0,0,0|0,0,1]=3 40 B21R1.279920 CCCCN(CC(=O)N)S(=O)(=O)C1=CC=C(C=C1)C(=O)O Z608704406 [0,2,0,0,0,0|1,0,1]=4 41 B21R1.279920 COCCN(CC(F)F)S(=O)(=O)C1=CC=C(C=C1)C(=O)N Z1003595390 [0,2,0,0,0,0|2,0,0]=4 42 B21R1.731752 CCCN(CC(F)(F)F)S(=O)(=O)C1=CC=C(C=C1)C(=O)N Z923932462 [0,2,0,0,0,0|2,0,0]=4 43 B21R1.1035020 CC(C)CN(CC(=O)N)S(=O)(=O)C1=CC=C(C=C1)C(=O)O Z401417644 [0,2,0,0,0,0|1,0,1]=4 44 B21R1.1035020 CC(C)CN(CC(C)C)S(=O)(=O)C1=CC=C(C=C1)C(=O)O Z56786624 [0,2,0,0,0,0|0,0,0]=2 45 B21R1.3392723 CCCN(CC(=O)N)S(=O)(=O)C1=C(C=C(C=C1)C(=O)O)Br Z2204831582 [0,2,0,0,0,0|1,0,1]=4 46 B21R1.628898 COCCN(CCC#N)S(=O)(=O)C1=CC=C(C=C1)C(=O)C Z1116706132 [0,2,0,0,0,0|1,0,1]=4 47 B21R1.628898 COCCN(CCC#N)S(=O)(=O)C1=CC=C(C=C1)C(=O)N Z1116706021 [0,2,0,0,0,0|1,0,1]=4 48 B21R1.628898 COCCN(CCOC)S(=O)(=O)C1=CC=C(C=C1)C(=O)O Z53038481 [0,2,0,0,0,0|0,0,0]=2 49 B19R2.8735 CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCCC2 Z45498075 [1,0,0,1,0,0|1,0,0]=3 50 B19R2.8735 CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCNCC2 Z56995164 [1,0,0,1,0,0|2,0,0]=4 51 B19R2.8735 CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCOCC2 Z45515816 [1,0,0,1,0,0|2,0,0]=4 52 B19R2.8735 CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCSCC2 Z359347750 [1,0,0,1,0,0|2,0,0]=4 53 B19R2.8735 NC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCCC2 Z33546916 [1,0,0,1,0,0|1,0,0]=3 54 B19R2.8735 NC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCNCC2 Z111869224 [1,0,0,1,0,0|2,0,0]=4 55 B19R2.8735 O=C(O)C1=CC=C(C=C1)S(=O)(=O)N2CCCCC2 Z53033942 [1,0,0,1,0,0|0,0,0]=2 56 B19R2.8735 O=C(O)C1=CC=C(C=C1)S(=O)(=O)N2CCNCC2 Z119977592 [1,0,0,1,0,0|1,0,0]=3 57 B19R2.8735 O=C(O)C1=CC=C(C=C1)S(=O)(=O)N2CCOCC2 Z53036611 [1,0,0,1,0,0|1,0,0]=3 58 B19R2.65 CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C#N Z45511453 [1,0,0,1,0,0|1,0,1]=4 59 B19R2.56194 CCC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2 Z65514296 [1,0,0,1,0,0|1,0,1]=4 60 B19R2.56194 N#CC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2 Z45507385 [1,0,0,1,0,0|1,0,1]=4 61 B19R2.101221 CC1CN(CCO1)C(=O)C2=CC=C(C=C2)C(=O)O Z425331754 [1,0,0,1,0,0|2,0,0]=4 62 B19R2.1020382 NC(=O)C1=CC=C(C=C1)C(=O)N2CCCCCC2 Z52030876 [1,0,0,1,0,0|2,0,0]=4 63 B19R2.1020382 O=C(O)C1=CC=C(C=C1)C(=O)N2CCCSCC2 Z818787648 [1,0,0,1,0,0|2,0,0]=4 64 B19R2.101456 CC1CCCN(C1)S(=O)(=O)C2=CC(=CS2)C(=O)O Z133612540 [0,0,0,1,1,0|1,0,0]=3 65 B21R2.222656 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C Z27619137 [0,0,0,1,0,1|1,0,0]=3 66 B21R2.1108004 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2 Z30152064 [0,0,0,1,0,1|1,0,0]=3 67 B21R2.4803269 CC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2CCCCCC2 Z45540450 [0,0,0,1,0,1|2,0,0]=4 68 B21R2.222659 CC1CCCN(C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)O Z352295654 [0,0,0,1,0,1|0,0,0]=2 69 B21R2.4803572 CC(=O)C1=CC=C(C=C1)NS(=O)(=O)N2CCCCCC2 Z352256044 [0,0,0,1,0,1|1,0,0]=3 70 B21R2.20572 CNC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)N Z1491211999 [0,1,0,1,0,0|2,0,0]=4 71 B21R2.20572 CNC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCNC(C2)C Z1491312924 [0,1,0,1,0,0|2,0,0]=4 72 B21R2.20572 CNC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCOC(C2)C Z216464598 [0,1,0,1,0,0|2,0,0]=4 73 B21R2.858132 CNC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2 Z30272378 [0,1,0,1,0,0|1,0,0]=3 74 B21R2.222654 CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)C Z285665066 [0,1,0,1,0,0|1,0,1]=4 75 B21R2.222673 CC1=CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)C(=O)O)Br Z1973569163 [0,1,0,1,0,0|0,0,2]=4 76 B21R2.95186 CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC(CC(C2)C)C Z45524291 [0,1,0,1,0,0|1,0,0]=3 77 B21R2.95186 CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N)C Z33546535 [0,1,0,1,0,0|1,0,0]=3 78 B21R2.95186 CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)O)C Z53037886 [0,1,0,1,0,0|0,0,0]=2 79 B21R2.95186 CC1CN(CC(O1)C)S(=O)(=O)C2=CC=C(C=C2)C(=O)N Z33546360 [0,1,0,1,0,0|1,0,0]=3 80 B21R2.95186 CC1CN(CC(O1)C)S(=O)(=O)C2=CC=C(C=C2)C(=O)O Z53035472 [0,1,0,1,0,0|0,0,0]=2 81 B21R2.253946 O=C(O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)O Z45681620 [0,1,0,1,0,0|1,0,1]=4 82 B21R2.253949 O=C(O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)(F)F Z2467490119 [0,1,0,1,0,0|1,0,0]=3 83 B21R2.3237792 CC1CN(CCCO1)S(=O)(=O)C2=CC=C(C=C2)C(=O)O Z1065670212 [0,1,0,1,0,0|0,0,0]=2 84 B21R2.5128502 O=C(O)C1=CC=C(C=C1)S(=O)(=O)N(CCO)CC2CC2 Z2683711266 [0,1,0,1,0,0|1,0,0]=3 85 B21R2.19803 CC1CN(CCC1N)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] Z1491319052 [0,1,0,1,0,0|1,0,1]=4 86 B21R2.48629 C[C@@H]1CN(C[C@H]1CO)S(=O)(=O)C2=CC=C(C=C2)C(=O)N Z1754492120 [0,1,0,1,0,0|1,0,0]=3 87 B21R2.60849 CCC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)O Z53035540 [0,1,0,1,0,0|0,0,0]=2 88 B21R2.459049 CCC1CN(CCO1)S(=O)(=O)C2=CC=C(C=C2)C(=O)C Z355202404 [0,1,0,1,0,0|2,0,0]=4 89 B21R2.459049 CCC1CN(CCO1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N Z355202692 [0,1,0,1,0,0|2,0,0]=4 90 B21R2.459049 CCC1CN(CCO1)S(=O)(=O)C2=CC=C(C=C2)C(=O)O Z355202578 [0,1,0,1,0,0|1,0,0]=3 91 B21R2.459049 NCC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] Z1491258654 [0,1,0,1,0,0|1,0,1]=4 92 B21R2.226294 CC1CN(C(CO1)C)S(=O)(=O)C2=CC=C(C=C2)C(=O)O Z355260664 [0,1,0,1,0,0|1,0,0]=3 93 B21R2.222658 C[C@H]1CN(CCO1)S(=O)(=O)C2=C(C=C(C=C2)C(=O)O)Br Z2351732264 [0,1,0,1,0,0|1,0,0]=3 94 B19R1.59553 CCCN(CCC)S(=O)(=O)C1=CC(=CC=C1)C(=O)O Z53037944 [0,0,0,0,1,1|0,0,0]=2 95 B19R1.59553 CCCN(CCC)S(=O)(=O)C1=CC(=CC=C1)[N+](=O)[O-] Z45524715 [0,0,0,0,1,1|1,0,1]=4 96 B21R1.88666 CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)CNC(=O)C Z45524762 [0,0,0,0,0,2|1,0,0]=3 97 B21R1.88666 O=C(O)/C=C/C1=CC=C(C=C1)S(=O)(=O)N(CCO)CCO Z56775534 [0,0,0,0,0,2|2,0,0]=4