0 B22R1.531355 CCCCCCCCc1ccc(cc1)CNC(C)(CO)CO AIFCHEM-94539106342 [0,0,0,0,0,0|2,0,0]=2 1 B22R1.531355 CCCCCCCOc1ccc(cc1)CNC(C)(CO)CO AIFCHEM-94546030916 [0,0,0,0,0,0|3,0,0]=3 2 B21R1.19008 CCCCCCCCc1ccc(cc1)CNC(CC)CC AIFCHEM-94603118249 [1,0,0,0,0,0|3,0,0]=4 3 B21R1.19008 CCCCCCCCc1ccc(cc1)CNC(CC)CO AIFCHEM-94603115880 [1,0,0,0,0,0|2,0,0]=3 4 B21R1.19008 CCCCCCCCc1ccc(cc1)CNC(CO)CO AIFCHEM-94606741964 [1,0,0,0,0,0|1,0,0]=2 5 B21R1.19008 CCCCCCCCc1ccc(cc1)CN[C@@H](CC)CO AIFCHEM-94539117108 [1,0,0,0,0,0|2,0,0]=3 6 B21R1.19008 CCCCCCCCc1ccc(cc1)CN[C@H](CC)CO AIFCHEM-94539117109 [1,0,0,0,0,0|2,0,0]=3 7 B21R1.19008 CCCCCCCOc1ccc(cc1)CNC(CC)CO AIFCHEM-94546046108 [1,0,0,0,0,0|3,0,0]=4 8 B21R1.19008 CCCCCCCOc1ccc(cc1)CNC(CO)CO AIFCHEM-94546043416 [1,0,0,0,0,0|2,0,0]=3 9 B21R1.19008 CCCCCCCOc1ccc(cc1)CN[C@@H](CC)CO AIFCHEM-94546041682 [1,0,0,0,0,0|3,0,0]=4 10 B21R1.19008 CCCCCCCOc1ccc(cc1)CN[C@H](CC)CO AIFCHEM-94546041683 [1,0,0,0,0,0|3,0,0]=4 11 B21R1.397607 CCCCCCCCc1ccc(cc1)CNC(C)(C)CC AIFCHEM-94539117196 [1,0,0,0,0,0|3,0,0]=4 12 B21R1.397607 CCCCCCCCc1ccc(cc1)CNC(C)(C)CO AIFCHEM-94576814636 [1,0,0,0,0,0|2,0,0]=3 13 B21R1.397607 CCCCCCCCc1ccc(cc1)NCC(C)(C)CO AIFCHEM-6176822949 [1,0,0,0,0,0|2,0,0]=3 14 B21R1.397607 CCCCCCCOc1ccc(cc1)CNC(C)(C)CO AIFCHEM-94546038635 [1,0,0,0,0,0|3,0,0]=4 15 B21R1.397607 CCCCCCCOc1ccc(cc1)NCC(C)(C)CO AIFCHEM-5970807368 [1,0,0,0,0,0|3,0,0]=4 16 B21R1.1156316 CCCCCCOc1ccc(cc1)CNC(C)(CO)CO AIFCHEM-94565921698 [1,0,0,0,0,0|3,0,0]=4 17 B23R1.653871 CCCCCCCCOc1ccc(cc1)CNC(C)(CO)CO AIFCHEM-94601801347 [0,1,0,0,0,0|2,0,0]=3 18 B23R1.670751 CCCCCCCCc1ccc(cc1)CN[C@@](C)(CO)C(=O)O AIFCHEM-94539110489 [0,1,0,0,0,0|2,0,1]=4 19 B23R1.670751 CCCCCCCCc1ccc(cc1)CN[C@](C)(CO)C(=O)O AIFCHEM-94539119526 [0,1,0,0,0,0|2,0,1]=4 20 B23R1.2174821 CCCCCCCCc1ccc(cc1)CNC(CC)(CO)CO AIFCHEM-94539106343 [0,1,0,0,0,0|2,0,0]=3 21 B23R1.2174821 CCCCCCCCc1ccc(cc1)CNC(CO)(CO)CO AIFCHEM-94539106721 [0,1,0,0,0,0|2,0,0]=3 22 B23R1.2174821 CCCCCCCOc1ccc(cc1)CNC(CC)(CO)CO AIFCHEM-94546030917 [0,1,0,0,0,0|3,0,0]=4 23 B23R1.2174821 CCCCCCCOc1ccc(cc1)CNC(CO)(CO)CO AIFCHEM-94546043039 [0,1,0,0,0,0|3,0,0]=4 24 B23R2.36867764 CCCCCCCCc1ccc(cc1)CNC2(CCC2)CO AIFCHEM-94528797544 [0,0,0,1,0,0|3,0,0]=4 25 B23R2.36867764 CCCCCCCCc1ccc(cc1)CNC2(COC2)CO AIFCHEM-94539108220 [0,0,0,1,0,0|2,0,0]=3 26 B23R2.36867764 CCCCCCCOc1ccc(cc1)CNC2(COC2)CO AIFCHEM-94546032794 [0,0,0,1,0,0|3,0,0]=4 27 B20R1.676 CCCCCCCCc1ccc(cc1)CNC(C)CF AIFCHEM-94539121022 [2,0,0,0,0,0|2,0,0]=4 28 B20R1.676 CCCCCCCCc1ccc(cc1)CNC(C)CO AIFCHEM-94603112199 [2,0,0,0,0,0|1,0,0]=3 29 B20R1.676 CCCCCCCCc1ccc(cc1)CN[C@@H](C)CF AIFCHEM-94539115737 [2,0,0,0,0,0|2,0,0]=4 30 B20R1.676 CCCCCCCCc1ccc(cc1)CN[C@@H](C)CO AIFCHEM-94539113466 [2,0,0,0,0,0|1,0,0]=3 31 B20R1.676 CCCCCCCCc1ccc(cc1)CN[C@H](C)CF AIFCHEM-94539113442 [2,0,0,0,0,0|2,0,0]=4 32 B20R1.676 CCCCCCCCc1ccc(cc1)CN[C@H](C)CO AIFCHEM-94539114533 [2,0,0,0,0,0|1,0,0]=3 33 B20R1.676 CCCCCCCCc1ccc(cc1)NCC(C)CC AIFCHEM-6138494660 [2,0,0,0,0,0|2,0,0]=4 34 B20R1.676 CCCCCCCCc1ccc(cc1)NCC(O)CO AIFCHEM-6160725436 [2,0,0,0,0,0|1,0,0]=3 35 B20R1.676 CCCCCCCOc1ccc(cc1)CNC(C)CO AIFCHEM-94546042044 [2,0,0,0,0,0|2,0,0]=4 36 B20R1.676 CCCCCCCOc1ccc(cc1)CN[C@@H](C)CO AIFCHEM-94546038040 [2,0,0,0,0,0|2,0,0]=4 37 B20R1.676 CCCCCCCOc1ccc(cc1)CN[C@H](C)CO AIFCHEM-94546039107 [2,0,0,0,0,0|2,0,0]=4 38 B20R1.676 CCCCCCCOc1ccc(cc1)NCC(O)CO AIFCHEM-5890664261 [2,0,0,0,0,0|2,0,0]=4 39 B20R1.67156 CCCCCCOc1ccc(cc1)CNC(CO)CO AIFCHEM-94543127816 [2,0,0,0,0,0|2,0,0]=4 40 B20R1.17621 CCCCCCCCc1ccc(cc1)CNC(C)(C)C AIFCHEM-94539105103 [2,0,0,0,0,0|2,0,0]=4 41 B22R1.18019 CCCCCCCCOc1ccc(cc1)CNC(CC)CO AIFCHEM-94601816539 [1,1,0,0,0,0|2,0,0]=4 42 B22R1.18019 CCCCCCCCOc1ccc(cc1)CNC(CO)CO AIFCHEM-94601811447 [1,1,0,0,0,0|1,0,0]=3 43 B22R1.18019 CCCCCCCCOc1ccc(cc1)CN[C@@H](CC)CO AIFCHEM-94601812113 [1,1,0,0,0,0|2,0,0]=4 44 B22R1.18019 CCCCCCCCOc1ccc(cc1)CN[C@H](CC)CO AIFCHEM-94601812114 [1,1,0,0,0,0|2,0,0]=4 45 B22R1.19754 CCCCCCCCc1ccc(cc1)CNC(CO)C(=O)O AIFCHEM-94539113836 [1,1,0,0,0,0|1,0,1]=4 46 B22R1.19754 CCCCCCCCc1ccc(cc1)CNC(CO)C(C)C AIFCHEM-94539110317 [1,1,0,0,0,0|2,0,0]=4 47 B22R1.19754 CCCCCCCCc1ccc(cc1)CN[C@@H](CC)[C@@H](C)O AIFCHEM-94539115889 [1,1,0,0,0,0|2,0,0]=4 48 B22R1.19754 CCCCCCCCc1ccc(cc1)CN[C@@H](CO)C(=O)O AIFCHEM-94539110354 [1,1,0,0,0,0|1,0,1]=4 49 B22R1.19754 CCCCCCCCc1ccc(cc1)CN[C@@H](CO)C(C)C AIFCHEM-94539115473 [1,1,0,0,0,0|2,0,0]=4 50 B22R1.19754 CCCCCCCCc1ccc(cc1)CN[C@@H](CO)[C@H](C)O AIFCHEM-94539115626 [1,1,0,0,0,0|1,0,0]=3 51 B22R1.19754 CCCCCCCCc1ccc(cc1)CN[C@H](CO)C(=O)O AIFCHEM-94539113948 [1,1,0,0,0,0|1,0,1]=4 52 B22R1.19754 CCCCCCCCc1ccc(cc1)CN[C@H](CO)C(C)C AIFCHEM-94539111809 [1,1,0,0,0,0|2,0,0]=4 53 B22R1.19754 CCCCCCCCc1ccc(cc1)CN[C@H](CO)[C@@H](C)O AIFCHEM-94539114094 [1,1,0,0,0,0|1,0,0]=3 54 B22R1.19754 CCCCCCCOc1ccc(cc1)CN[C@@H](CO)[C@H](C)O AIFCHEM-94546040200 [1,1,0,0,0,0|2,0,0]=4 55 B22R1.19754 CCCCCCCOc1ccc(cc1)CN[C@H](CO)[C@@H](C)O AIFCHEM-94546038668 [1,1,0,0,0,0|2,0,0]=4 56 B22R1.78895 CCCCCCCCc1ccc(cc1)CNC(CC)COC AIFCHEM-94603115877 [1,1,0,0,0,0|2,0,0]=4 57 B22R1.78895 CCCCCCCCc1ccc(cc1)CNC(CO)CCO AIFCHEM-94539115594 [1,1,0,0,0,0|1,0,0]=3 58 B22R1.78895 CCCCCCCCc1ccc(cc1)CNC(CO)COC AIFCHEM-94539114244 [1,1,0,0,0,0|1,0,0]=3 59 B22R1.78895 CCCCCCCCc1ccc(cc1)CN[C@@H](CO)CCC AIFCHEM-94539119491 [1,1,0,0,0,0|2,0,0]=4 60 B22R1.78895 CCCCCCCCc1ccc(cc1)CN[C@H](CO)CCC AIFCHEM-94607956427 [1,1,0,0,0,0|2,0,0]=4 61 B22R1.78895 CCCCCCCOc1ccc(cc1)CNC(CO)CCO AIFCHEM-94556881354 [1,1,0,0,0,0|2,0,0]=4 62 B22R1.78895 CCCCCCCOc1ccc(cc1)CNC(CO)COC AIFCHEM-94546038818 [1,1,0,0,0,0|2,0,0]=4 63 B22R1.522180 CCCCCCCCOc1ccc(cc1)CNC(C)(C)CO AIFCHEM-94601802636 [1,1,0,0,0,0|2,0,0]=4 64 B22R1.522180 CCCCCCCCOc1ccc(cc1)NCC(C)(C)CO AIFCHEM-94543928980 [1,1,0,0,0,0|2,0,0]=4 65 B22R1.531356 CCCCCCCCc1ccc(cc1)CNC(C)(C)CCO AIFCHEM-94539115448 [1,1,0,0,0,0|2,0,0]=4 66 B22R1.531356 CCCCCCCCc1ccc(cc1)CNC(C)(C)COC AIFCHEM-94539113099 [1,1,0,0,0,0|2,0,0]=4 67 B24R1.3494035 CCCCCCCCc1ccc(cc1)CNC(=O)C(C)(CO)CO AIFCHEM-94603124511 [0,1,0,0,0,1|1,0,1]=4 68 B24R1.3465516 CCCCCCCCOc1ccc(cc1)CNC(CC)(CO)CO AIFCHEM-94601801348 [0,2,0,0,0,0|2,0,0]=4 69 B24R1.3465516 CCCCCCCCOc1ccc(cc1)CNC(CO)(CO)CO AIFCHEM-94608273627 [0,2,0,0,0,0|2,0,0]=4 70 B24R1.10096602 CCCCCCCCCOc1ccc(cc1)CNC(C)(CO)CO AIFCHEM-6463790424 [0,2,0,0,0,0|2,0,0]=4 71 B24R1.1909743 CCCCCCCCc1ccc(cc1)CCC(CO)(CO)NCC AIFCHEM-94550570384 [0,2,0,0,0,0|0,0,0]=2 72 B22R2.8642 CCCCCCCCc1ccc(cc1)NCC2CCOC2 AIFCHEM-6160740017 [1,0,0,1,0,0|2,0,0]=4 73 B22R2.4392877 CCCCCCCCc1ccc(cc1)CNC2(CC2)CO AIFCHEM-94565828331 [1,0,0,1,0,0|2,0,0]=4 74 B24R2.57183622 CCCCCCCCc1ccc(cc1)CNCC2(COC2)CC AIFCHEM-94603118278 [0,0,0,1,0,1|2,0,0]=4 75 B24R2.56871123 CCCCCCCCOc1ccc(cc1)CNC2(COC2)CO AIFCHEM-94601803225 [0,1,0,1,0,0|2,0,0]=4 76 B20R1.677 CCCCCCCCc1ccc(cc1)NC(CC)CO AIFCHEM-6137427785 [1,0,0,0,1,0|2,0,0]=4 77 B22R1.19753 CCCCCCCCc1ccc(cc1)CNCC(CC)CC AIFCHEM-94528140513 [1,0,0,0,0,1|2,0,0]=4 78 B22R1.19753 CCCCCCCCc1ccc(cc1)CNCC(CO)OC AIFCHEM-94539109258 [1,0,0,0,0,1|2,0,0]=4 79 B22R1.78890 CCCCCCCCc1ccc(cc1)CNCC(C)(C)CO AIFCHEM-94539113350 [1,0,0,0,0,1|1,0,0]=3 80 B22R1.78890 CCCCCCCOc1ccc(cc1)CNCC(C)(C)CO AIFCHEM-94546037924 [1,0,0,0,0,1|2,0,0]=4