0 B19R1.59546 CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)B(O)O MCULE-7371660952 [0,0,0,0,0,0|1,0,1]=2 1 B19R1.59546 CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)Cl MCULE-2326705613 [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 MCULE-8664946016 [0,0,0,0,0,0|0,0,0]=0 3 B19R1.59546 CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)N(=O)=O MCULE-5471761029 [0,0,0,0,0,0|1,0,1]=2 4 B19R1.59546 O=C(O)C1=CC=C(C=C1)S(=O)(=O)N(CCCl)CCCl MCULE-3477460999 [0,0,0,0,0,0|2,0,0]=2 5 B19R1.59546 O=C(O)C1=CC=C(C=C1)S(=O)(=O)N(CCO)CCO MCULE-9601736794 [0,0,0,0,0,0|2,0,0]=2 6 B19R1.59546 O=N(=O)C1=CC=C(C=C1)S(=O)(=O)N(CCO)CCO MCULE-1206792628 [0,0,0,0,0,0|3,0,1]=4 7 B18R1.44184 CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)CC MCULE-4616963824 [1,0,0,0,0,0|1,0,1]=3 8 B18R1.44184 CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)OC MCULE-9329537101 [1,0,0,0,0,0|2,0,0]=3 9 B18R1.44633 CCCN(CCC)C(=O)C1=CC=C(C=C1)B(O)O MCULE-3021569168 [1,0,0,0,0,0|2,0,1]=4 10 B20R1.75554 CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NN MCULE-5236362007 [0,1,0,0,0,0|1,0,0]=2 11 B20R1.75554 CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)OC MCULE-6584139468 [0,1,0,0,0,0|0,0,0]=1 12 B20R2.46414 O=[N+]([O-])C1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2CO MCULE-5269991133 [0,0,0,1,0,0|2,0,1]=4 13 B20R2.153529 CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N MCULE-4302545808 [0,0,0,1,0,0|1,0,0]=2 14 B20R2.153529 CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)O MCULE-5675276247 [0,0,0,1,0,0|0,0,0]=1 15 B20R2.153529 CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(C)C MCULE-5700970643 [0,0,0,1,0,0|2,0,1]=4 16 B20R2.153529 CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)N(=O)=O MCULE-6803375878 [0,0,0,1,0,0|1,0,1]=3 17 B20R2.153529 O=C1CN(CCN1)S(=O)(=O)C2=CC=C(C=C2)C(=O)O MCULE-2396908510 [0,0,0,1,0,0|2,0,1]=4 18 B20R2.756850 CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2 MCULE-2367326096 [0,0,0,1,0,0|1,0,0]=2 19 B20R2.756850 NC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2 MCULE-2621886158 [0,0,0,1,0,0|1,0,0]=2 20 B20R2.756850 O=C(Cl)C1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2 MCULE-4979801281 [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 MCULE-8792760244 [0,0,0,1,0,0|0,0,0]=1 22 B20R2.756850 O=N(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2 MCULE-8233428941 [0,0,0,1,0,0|1,0,1]=3 23 B20R1.75553 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(CCO)CCO MCULE-4709608948 [0,0,0,0,0,1|3,0,0]=4 24 B20R1.75553 CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)CC(=O)O MCULE-8865179473 [0,0,0,0,0,1|0,0,0]=1 25 B20R1.75553 CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)NC(=O)C MCULE-9760995811 [0,0,0,0,0,1|1,0,0]=2 26 B20R1.485426 CCCN(CCC)CS(=O)(=O)C1=CC=C(C=C1)C(=O)O MCULE-7817749399 [0,0,0,0,0,1|0,0,0]=1 27 B17R1.2893 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)B(O)O MCULE-3570027331 [2,0,0,0,0,0|1,0,1]=4 28 B17R1.2893 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)C MCULE-7422497202 [2,0,0,0,0,0|1,0,0]=3 29 B17R1.2893 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)Cl MCULE-9518070067 [2,0,0,0,0,0|1,0,0]=3 30 B17R1.2893 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)N MCULE-4208731337 [2,0,0,0,0,0|1,0,0]=3 31 B17R1.2893 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)O MCULE-5143032693 [2,0,0,0,0,0|0,0,0]=2 32 B17R1.2893 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)N(=O)=O MCULE-4664243205 [2,0,0,0,0,0|1,0,1]=4 33 B17R1.17918 CCCN(CC)C(=O)C1=CC=C(C=C1)C(=O)O MCULE-9233324017 [2,0,0,0,0,0|1,0,0]=3 34 B17R1.18809 CN(CCO)S(=O)(=O)C1=CC=C(C=C1)C(=O)O MCULE-3576234821 [2,0,0,0,0,0|1,0,0]=3 35 B17R1.1719 CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)Br MCULE-8689656971 [2,0,0,0,0,0|1,0,0]=3 36 B17R1.1719 CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C MCULE-2585265024 [2,0,0,0,0,0|0,0,1]=3 37 B17R1.1719 CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)F MCULE-3760116730 [2,0,0,0,0,0|1,0,0]=3 38 B17R1.1719 CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)I MCULE-7885478303 [2,0,0,0,0,0|1,0,0]=3 39 B17R1.1719 CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)N MCULE-9578678788 [2,0,0,0,0,0|1,0,0]=3 40 B17R1.18315 CCCN(CCC)CC1=CC=C(C=C1)C(=O)O MCULE-1328244115 [2,0,0,0,0,0|1,0,0]=3 41 B17R1.18315 CCCN(CCC)CC1=CC=C(C=C1)C(=O)O MCULE-2912006625 [2,0,0,0,0,0|1,0,0]=3 42 B19R1.12152 CCCCN(CC)S(=O)(=O)C1=CC=C(C=C1)N(=O)=O MCULE-9053317516 [1,1,0,0,0,0|1,0,1]=4 43 B19R1.151199 CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)CC#N MCULE-9566354419 [1,1,0,0,0,0|1,0,1]=4 44 B19R1.151199 CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)N=C=S MCULE-2079221201 [1,1,0,0,0,0|0,1,1]=4 45 B19R1.151199 CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)OCC MCULE-1881740857 [1,1,0,0,0,0|1,0,1]=4 46 B19R1.60289 CCCC(CCC)C(=O)C1=CC=C(C=C1)C(=O)OC MCULE-4679354941 [1,1,0,0,0,0|2,0,0]=4 47 B21R1.88667 CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)NS(=O)(=O)C MCULE-8544868028 [0,1,0,0,0,1|1,0,1]=4 48 B21R1.88668 CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)NC(=O)CBr MCULE-6804380730 [0,1,0,0,0,1|1,0,0]=3 49 B21R1.88668 COC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(CCO)CCO MCULE-6020417202 [0,1,0,0,0,1|2,0,0]=4 50 B21R1.142141 CCCN(CCOC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC MCULE-2832703824 [0,2,0,0,0,0|1,0,0]=3 51 B21R1.830971 CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)OCC MCULE-5846399782 [0,2,0,0,0,0|0,0,0]=2 52 B21R1.1035020 CC(C)CN(CC(C)C)S(=O)(=O)C1=CC=C(C=C1)C(=O)O MCULE-2712337744 [0,2,0,0,0,0|0,0,0]=2 53 B21R1.628898 CCCCN(CCCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)O MCULE-4974072486 [0,2,0,0,0,0|0,0,0]=2 54 B21R1.628898 CCCCN(CCCC)S(=O)(=O)C1=CC=C(C=C1)N(=O)=O MCULE-9141361562 [0,2,0,0,0,0|1,0,1]=4 55 B21R1.628898 COCCN(CCOC)S(=O)(=O)C1=CC=C(C=C1)C(=O)O MCULE-7056350888 [0,2,0,0,0,0|0,0,0]=2 56 B21R1.971245 CCC(C)N(C(C)CC)S(=O)(=O)C1=CC=C(C=C1)N(=O)=O MCULE-3271157640 [0,2,0,0,0,0|1,0,1]=4 57 B19R2.8735 CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCCC2 MCULE-4627446748 [1,0,0,1,0,0|1,0,0]=3 58 B19R2.8735 CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCNCC2 MCULE-3100338232 [1,0,0,1,0,0|2,0,0]=4 59 B19R2.8735 CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCNCC2 MCULE-8610865004 [1,0,0,1,0,0|2,0,0]=4 60 B19R2.8735 CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCOCC2 MCULE-6290168757 [1,0,0,1,0,0|2,0,0]=4 61 B19R2.8735 NC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCOCC2 MCULE-2778939082 [1,0,0,1,0,0|2,0,0]=4 62 B19R2.8735 NC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCSCC2 MCULE-5051492054 [1,0,0,1,0,0|2,0,0]=4 63 B19R2.8735 O=C(Cl)C1=CC=C(C=C1)S(=O)(=O)N2CCCCC2 MCULE-8207368954 [1,0,0,1,0,0|1,0,0]=3 64 B19R2.8735 O=C(Cl)C1=CC=C(C=C1)S(=O)(=O)N2CCOCC2 MCULE-9245330419 [1,0,0,1,0,0|2,0,0]=4 65 B19R2.8735 O=C(O)C1=CC=C(C=C1)S(=O)(=O)N2CCCCC2 MCULE-8902638361 [1,0,0,1,0,0|0,0,0]=2 66 B19R2.8735 O=C(O)C1=CC=C(C=C1)S(=O)(=O)N2CCNCC2 MCULE-2048322172 [1,0,0,1,0,0|1,0,0]=3 67 B19R2.8735 O=C(O)C1=CC=C(C=C1)S(=O)(=O)N2CCNCC2 MCULE-3890985961 [1,0,0,1,0,0|1,0,0]=3 68 B19R2.8735 O=C(O)C1=CC=C(C=C1)S(=O)(=O)N2CCOCC2 MCULE-4416426618 [1,0,0,1,0,0|1,0,0]=3 69 B19R2.8735 O=C(O)C1=CC=C(C=C1)S(=O)(=O)N2CCSCC2 MCULE-5228071041 [1,0,0,1,0,0|1,0,0]=3 70 B19R2.8735 O=N(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCCC2 MCULE-1003429452 [1,0,0,1,0,0|1,0,1]=4 71 B19R2.8735 O=S(=O)(C1=CC=C(C=C1)B(O)O)N2CCCCC2 MCULE-8372236066 [1,0,0,1,0,0|1,0,1]=4 72 B19R2.65 CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)CN MCULE-8931355284 [1,0,0,1,0,0|1,0,1]=4 73 B19R2.65 CCC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C MCULE-2912142163 [1,0,0,1,0,0|1,0,1]=4 74 B19R2.65 COC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C MCULE-6712746155 [1,0,0,1,0,0|2,0,0]=4 75 B19R2.65 CSC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C MCULE-9088748037 [1,0,0,1,0,0|2,0,0]=4 76 B19R2.56194 CCC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2 MCULE-7745763046 [1,0,0,1,0,0|1,0,1]=4 77 B19R2.56194 COC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2 MCULE-3371661010 [1,0,0,1,0,0|2,0,0]=4 78 B19R2.56194 CSC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2 MCULE-9528719165 [1,0,0,1,0,0|2,0,0]=4 79 B19R2.101456 CC1CCCN(C1)S(=O)(=O)C2=CSC(=C2)C(=O)N MCULE-3505952673 [0,0,0,1,1,0|2,0,0]=4 80 B19R2.101456 CC1CCCN(C1)S(=O)(=O)C2=CSC(=C2)C(=O)O MCULE-5574486648 [0,0,0,1,1,0|1,0,0]=3 81 B19R2.1019965 NC(=O)C1=CC(=CS1)S(=O)(=O)N2CCCCCC2 MCULE-2202641046 [0,0,0,1,1,0|2,0,0]=4 82 B19R2.1019965 O=C(O)C1=CC(=CS1)S(=O)(=O)N2CCCCCC2 MCULE-5937310605 [0,0,0,1,1,0|1,0,0]=3 83 B21R2.222656 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C MCULE-2392425131 [0,0,0,1,0,1|1,0,0]=3 84 B21R2.222656 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)O MCULE-6425093067 [0,0,0,1,0,1|2,0,0]=4 85 B21R2.222656 CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)CC(=O)O MCULE-3601445551 [0,0,0,1,0,1|0,0,0]=2 86 B21R2.1108004 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2 MCULE-9994202555 [0,0,0,1,0,1|1,0,0]=3 87 B21R2.2164879 CCCN(CCC)S(=O)(=O)C1=CC=C2N=C(SC2=C1)N MCULE-5294015774 [0,0,0,1,0,1|1,1,0]=4 88 B21R2.2164879 CCCN(CCC)S(=O)(=O)C1=CC=C2NC(=O)NC2=C1 MCULE-3880680939 [0,0,0,1,0,1|1,0,0]=3 89 B21R2.2164879 CCCN(CCO)S(=O)(=O)C1=CC2=C(C=C1)NC(=O)N2 MCULE-7527308787 [0,0,0,1,0,1|2,0,0]=4 90 B21R2.4803269 NC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2CCCCCC2 MCULE-1169768602 [0,0,0,1,0,1|2,0,0]=4 91 B21R2.4803572 CC(=O)C1=CC=C(C=C1)NS(=O)(=O)N2CCCCCC2 MCULE-9100969570 [0,0,0,1,0,1|1,0,0]=3 92 B21R2.66465 CNC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2CO MCULE-9907937418 [0,1,0,1,0,0|2,0,0]=4 93 B21R2.858132 COC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2 MCULE-5674172245 [0,1,0,1,0,0|0,0,0]=2 94 B21R2.858132 O=C(CBr)C1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2 MCULE-2453343741 [0,1,0,1,0,0|1,0,0]=3 95 B21R2.95186 CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)O)C MCULE-5266696162 [0,1,0,1,0,0|0,0,0]=2 96 B21R2.95186 CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)N(=O)=O)C MCULE-9638818330 [0,1,0,1,0,0|1,0,1]=4 97 B21R2.95186 CC1CN(CC(O1)C)S(=O)(=O)C2=CC=C(C=C2)C(=O)O MCULE-8074155538 [0,1,0,1,0,0|0,0,0]=2 98 B21R2.95186 CC1CN(CC(O1)C)S(=O)(=O)C2=CC=C(C=C2)N(=O)=O MCULE-1838015417 [0,1,0,1,0,0|1,0,1]=4 99 B21R2.253946 O=C(O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)O MCULE-8914024492 [0,1,0,1,0,0|1,0,1]=4 100 B21R2.253949 CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)(F)F MCULE-4036772758 [0,1,0,1,0,0|2,0,0]=4 101 B21R2.60849 CCC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)N MCULE-1358781225 [0,1,0,1,0,0|1,0,0]=3 102 B21R2.60849 CCC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)O MCULE-5946046910 [0,1,0,1,0,0|0,0,0]=2 103 B21R2.60849 CCC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)N(=O)=O MCULE-6242216050 [0,1,0,1,0,0|1,0,1]=4 104 B21R2.459049 CSC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)C MCULE-1365242086 [0,1,0,1,0,0|1,0,0]=3 105 B21R2.459049 O=N(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)CO MCULE-5119095892 [0,1,0,1,0,0|1,0,1]=4 106 B21R2.4803245 O=C(O)C1=CC=C(C=C1)S(=O)(=O)N2CCCCCCC2 MCULE-8722688755 [0,1,0,1,0,0|0,0,0]=2 107 B19R1.60288 CCCN(CCC)C(=O)C1=CC=C(C=C1)NC(=O)C MCULE-6370031815 [1,0,0,0,0,1|2,0,0]=4 108 B19R1.60288 CCCN(CCC)C(=O)C1=CC=C(C=C1)OC(=O)C MCULE-6609187601 [1,0,0,0,0,1|2,0,0]=4 109 B19R1.86245 CCCC(CCC)C(=O)NC1=CC=C(C=C1)C(=O)O MCULE-4582265006 [1,0,0,0,0,1|2,0,0]=4 110 B19R1.59553 CCCN(CCC)S(=O)(=O)C1=CC(=CC=C1)B(O)O MCULE-7808375754 [0,0,0,0,1,1|1,0,1]=4 111 B19R1.59553 CCCN(CCC)S(=O)(=O)C1=CC(=CC=C1)C(=O)O MCULE-5151899091 [0,0,0,0,1,1|0,0,0]=2 112 B19R1.59553 CCCN(CCC)S(=O)(=O)C1=CC(=CC=C1)N(=O)=O MCULE-1956251476 [0,0,0,0,1,1|1,0,1]=4 113 B19R1.59553 O=C(O)C1=CC=CC(=C1)S(=O)(=O)N(CCO)CCO MCULE-7811988241 [0,0,0,0,1,1|2,0,0]=4 114 B21R1.88666 O=C(O)C=CC1=CC=C(C=C1)S(=O)(=O)N(CCO)CCO MCULE-4813423246 [0,0,0,0,0,2|2,0,0]=4