0 B13R1.135 CCC(=O)N(C)Cc1ccccc1 AIFCHEM-94536109342 [1,0,0,0,0,0|2,0,0]=3 1 B15R1.496 CC(C)NC(=O)C(C)Oc1ccccc1 AIFCHEM-94520552285 [0,1,0,0,0,0|3,0,0]=4 2 B15R1.496 CC(C)NC(=O)[C@@H](C)Oc1ccccc1 AIFCHEM-94520543552 [0,1,0,0,0,0|3,0,0]=4 3 B15R1.496 CC(C)NC(=O)[C@H](C)Oc1ccccc1 AIFCHEM-94520546313 [0,1,0,0,0,0|3,0,0]=4 4 B15R1.551 CCCNC(=O)C(O)Cc1ccccc1 AIFCHEM-94573426371 [0,1,0,0,0,0|1,0,0]=2 5 B15R1.551 CCCNC(=O)[C@@H](O)Cc1ccccc1 AIFCHEM-94521376007 [0,1,0,0,0,0|1,0,0]=2 6 B15R1.551 CCCNC(=O)[C@H](O)Cc1ccccc1 AIFCHEM-94521380286 [0,1,0,0,0,0|1,0,0]=2 7 B15R1.551 CCOCC(=O)N(C)Cc1ccccc1 AIFCHEM-94536107605 [0,1,0,0,0,0|2,0,0]=3 8 B15R1.551 CCOCC(=O)N(C)Cc1ccccn1 AIFCHEM-6111544654 [0,1,0,0,0,0|3,0,0]=4 9 B15R1.551 CCOCC(=O)N(C)Cc1ccncc1 AIFCHEM-5985533161 [0,1,0,0,0,0|3,0,0]=4 10 B15R1.973 CCN(C)C(=O)C(C)Cc1ccncc1 AIFCHEM-6119954606 [0,1,0,0,0,0|3,0,0]=4 11 B15R1.809 CCOC(=O)CN(C)Cc1cccnc1 AIFCHEM-5819346205 [0,0,0,0,0,1|3,0,0]=4 12 B15R1.826 CCOC(=O)C(C)NCc1ccccn1 AIFCHEM-5832149572 [0,0,0,0,0,1|2,0,0]=3 13 B15R1.826 CCOC(=O)C(C)NCc1cncnc1 AIFCHEM-5851665690 [0,0,0,0,0,1|3,0,0]=4 14 B15R1.826 CCOC(=O)[C@@H](C)NCc1ccccn1 AIFCHEM-6153141758 [0,0,0,0,0,1|2,0,0]=3 15 B15R1.826 CCOC(=O)[C@@H](C)NCc1cncnc1 AIFCHEM-6132939065 [0,0,0,0,0,1|3,0,0]=4 16 B15R1.826 CCOC(=O)[C@H](C)NCc1ccccn1 AIFCHEM-5869945832 [0,0,0,0,0,1|2,0,0]=3 17 B15R1.826 CCOC(=O)[C@H](C)NCc1cncnc1 AIFCHEM-5797268814 [0,0,0,0,0,1|3,0,0]=4 18 B15R1.826 CCSC(=O)[C@H](C)NCc1cccnc1 AIFCHEM-5752969155 [0,0,0,0,0,1|2,1,0]=4 19 B14R1.156 CCCNC(=O)CSc1ccccc1 AIFCHEM-94521372545 [1,1,0,0,0,0|2,0,0]=4 20 B14R1.156 CCOCC(=O)NCc1ccncc1 AIFCHEM-5854853117 [1,1,0,0,0,0|2,0,0]=4 21 B14R1.818 CC(O)CC(=O)NCc1ccccc1 AIFCHEM-94554639641 [1,1,0,0,0,0|2,0,0]=4 22 B14R1.818 C[C@@H](O)CC(=O)NCc1ccccc1 AIFCHEM-94539158680 [1,1,0,0,0,0|2,0,0]=4 23 B14R1.818 C[C@H](O)CC(=O)NCc1ccccc1 AIFCHEM-94539158619 [1,1,0,0,0,0|2,0,0]=4 24 B14R1.134 CCC(=O)N(C)Cc1ccc(cc1)Br AIFCHEM-94526509795 [1,1,0,0,0,0|2,0,0]=4 25 B14R1.135 CCC(=O)N(C)Cc1cccc(c1)F AIFCHEM-94526511643 [1,1,0,0,0,0|2,0,0]=4 26 B14R1.425 CC(O)C(=O)N(C)Cc1ccccc1 AIFCHEM-94571300956 [1,1,0,0,0,0|2,0,0]=4 27 B14R1.425 C[C@@H](O)C(=O)N(C)Cc1ccccc1 AIFCHEM-94536093841 [1,1,0,0,0,0|2,0,0]=4 28 B14R1.425 C[C@H](O)C(=O)N(C)Cc1ccccc1 AIFCHEM-6229028079 [1,1,0,0,0,0|2,0,0]=4 29 B14R1.1007 CCC(=O)N(C)Cc1ccccc1F AIFCHEM-94526507086 [1,1,0,0,0,0|2,0,0]=4 30 B14R1.1007 CCC(=O)N(C)Cc1ccccc1O AIFCHEM-94526508870 [1,1,0,0,0,0|2,0,0]=4 31 B16R1.955 CCOC(=O)CC(C)Nc1ccc(cc1)F AIFCHEM-94544061501 [0,1,0,0,0,1|2,0,0]=4 32 B16R1.955 CCOC(=O)CC(C)Nc1ccc(cc1)O AIFCHEM-94544066927 [0,1,0,0,0,1|2,0,0]=4 33 B16R1.4235 CCOC(=O)CN(C)Cc1ccccc1O AIFCHEM-94532466565 [0,1,0,0,0,1|2,0,0]=4 34 B16R1.740 CCOC(=O)C(CO)NCc1ccncc1 AIFCHEM-6509978298 [0,1,0,0,0,1|1,0,0]=3 35 B16R1.740 CCOC(=O)C(CO)NCc1cnccn1 AIFCHEM-6501075467 [0,1,0,0,0,1|2,0,0]=4 36 B16R1.740 CCOC(=O)[C@@H](CO)NCc1ccncc1 AIFCHEM-6500223930 [0,1,0,0,0,1|1,0,0]=3 37 B16R1.740 CCOC(=O)[C@@H](CO)NCc1cnccn1 AIFCHEM-6494959283 [0,1,0,0,0,1|2,0,0]=4 38 B16R1.740 CCOC(=O)[C@H](CO)NCc1ccncc1 AIFCHEM-6476931915 [0,1,0,0,0,1|1,0,0]=3 39 B16R1.740 CCOC(=O)[C@H](CO)NCc1cnccn1 AIFCHEM-6452502875 [0,1,0,0,0,1|2,0,0]=4 40 B16R1.912 CCOC(=O)C(C)CN(C)c1ccccc1 AIFCHEM-94545178254 [0,1,0,0,0,1|1,0,0]=3 41 B16R1.979 CCNC(=O)[C@H](C)NCc1ccc(cc1)Br AIFCHEM-94595321709 [0,1,0,0,0,1|2,0,0]=4 42 B16R1.979 CCNC(=O)[C@H](C)NCc1ccc(cc1)O AIFCHEM-94595322092 [0,1,0,0,0,1|2,0,0]=4 43 B16R1.979 CCOC(=O)C(C)CNc1ccc(cc1)Br AIFCHEM-94608712882 [0,1,0,0,0,1|1,0,0]=3 44 B16R1.979 CCOC(=O)C(C)CNc1ccc(cn1)Br AIFCHEM-5709242145 [0,1,0,0,0,1|2,0,0]=4 45 B16R1.979 CCOC(=O)C(C)CNc1ccc(nc1)Br AIFCHEM-6306122759 [0,1,0,0,0,1|2,0,0]=4 46 B16R1.979 CCOC(=O)C(C)CNc1ccc(nc1)I AIFCHEM-6290463550 [0,1,0,0,0,1|2,0,0]=4 47 B16R1.979 CCOC(=O)C(C)NCc1ccc(cn1)Cl AIFCHEM-5832451461 [0,1,0,0,0,1|2,0,0]=4 48 B16R1.979 CCOC(=O)C(C)NCc1ccc(nc1)Cl AIFCHEM-5824083874 [0,1,0,0,0,1|2,0,0]=4 49 B16R1.979 CCOC(=O)[C@@H](C)NCc1ccc(cn1)Cl AIFCHEM-6175203596 [0,1,0,0,0,1|2,0,0]=4 50 B16R1.979 CCOC(=O)[C@H](C)NCc1ccc(cn1)Cl AIFCHEM-5850904546 [0,1,0,0,0,1|2,0,0]=4 51 B16R1.979 CCOC(=O)[C@H](C)NCc1ccc(nc1)Cl AIFCHEM-5796782410 [0,1,0,0,0,1|2,0,0]=4 52 B16R1.979 CCSC(=O)[C@H](C)NCc1ccc(cc1)Br AIFCHEM-5752793855 [0,1,0,0,0,1|1,1,0]=4 53 B16R1.979 CCSC(=O)[C@H](C)NCc1ccc(cc1)C AIFCHEM-5725502409 [0,1,0,0,0,1|1,1,0]=4 54 B16R1.980 CCOC(=O)C(C)CNc1cc(ccn1)C AIFCHEM-5879343047 [0,1,0,0,0,1|2,0,0]=4 55 B16R1.980 CCOC(=O)C(C)CNc1cccc(n1)Cl AIFCHEM-6478774036 [0,1,0,0,0,1|2,0,0]=4 56 B16R1.980 CCOC(=O)C(C)CNc1cccc(n1)I AIFCHEM-6437989927 [0,1,0,0,0,1|2,0,0]=4 57 B16R1.980 CCOC(=O)C(C)CNc1cncc(c1)F AIFCHEM-5997710287 [0,1,0,0,0,1|2,0,0]=4 58 B16R1.980 CCOC(=O)C(C)NCc1ccnc(c1)O AIFCHEM-5847400963 [0,1,0,0,0,1|2,0,0]=4 59 B16R1.980 CCOC(=O)C(C)NCc1cncc(c1)Br AIFCHEM-5823927114 [0,1,0,0,0,1|2,0,0]=4 60 B16R1.980 CCOC(=O)[C@@H](C)NCc1ccnc(c1)C AIFCHEM-6175219312 [0,1,0,0,0,1|2,0,0]=4 61 B16R1.980 CCOC(=O)[C@@H](C)NCc1ccnc(c1)O AIFCHEM-6134893898 [0,1,0,0,0,1|2,0,0]=4 62 B16R1.980 CCOC(=O)[C@@H](C)NCc1cncc(c1)Br AIFCHEM-6175075807 [0,1,0,0,0,1|2,0,0]=4 63 B16R1.980 CCOC(=O)[C@H](C)NCc1ccnc(c1)C AIFCHEM-5859359434 [0,1,0,0,0,1|2,0,0]=4 64 B16R1.980 CCOC(=O)[C@H](C)NCc1ccnc(c1)O AIFCHEM-5850883897 [0,1,0,0,0,1|2,0,0]=4 65 B16R1.980 CCOC(=O)[C@H](C)NCc1cncc(c1)Br AIFCHEM-5796785860 [0,1,0,0,0,1|2,0,0]=4 66 B16R1.980 CCSC(=O)[C@H](C)NCc1cccc(c1)Br AIFCHEM-5752927302 [0,1,0,0,0,1|1,1,0]=4 67 B16R1.1516 CCCNC(=O)C(C)CCc1ccccc1 AIFCHEM-5793454656 [0,1,0,0,0,1|2,0,0]=4 68 B16R1.1516 CCCNC(=O)C(O)CCc1ccccc1 AIFCHEM-94521378271 [0,1,0,0,0,1|1,0,0]=3 69 B16R1.1516 CCCNC(=O)[C@@H](C)OCc1ccccc1 AIFCHEM-5853745685 [0,1,0,0,0,1|2,0,0]=4 70 B16R1.1516 CCCNC(=O)[C@@H](O)CCc1ccccc1 AIFCHEM-94521373021 [0,1,0,0,0,1|1,0,0]=3 71 B16R1.1516 CCCNC(=O)[C@H](O)CCc1ccccc1 AIFCHEM-94521377271 [0,1,0,0,0,1|1,0,0]=3 72 B16R1.1516 CCCOC(=O)[C@H](C)NCc1cccnc1 AIFCHEM-6185753395 [0,1,0,0,0,1|2,0,0]=4 73 B16R1.1516 O=C(NCCF)C(O)CCc1ccccc1 AIFCHEM-5871185691 [0,1,0,0,0,1|1,0,0]=3 74 B16R1.1516 O=C(NCCF)[C@@H](O)CCc1ccccc1 AIFCHEM-5801442998 [0,1,0,0,0,1|1,0,0]=3 75 B16R1.4553 CCNC(=O)[C@H](C)NCc1ccccc1O AIFCHEM-94595327532 [0,1,0,0,0,1|2,0,0]=4 76 B16R1.4553 CCOC(=O)C(C)CNc1cnccc1O AIFCHEM-5665942786 [0,1,0,0,0,1|2,0,0]=4 77 B16R1.4553 CCOC(=O)C(C)NCc1ccccc1O AIFCHEM-94532467704 [0,1,0,0,0,1|1,0,0]=3 78 B16R1.4553 CCOC(=O)C(C)NCc1ccncc1O AIFCHEM-5824101145 [0,1,0,0,0,1|2,0,0]=4 79 B16R1.4553 CCOC(=O)[C@@H](C)NCc1ccccc1O AIFCHEM-94532467961 [0,1,0,0,0,1|1,0,0]=3 80 B16R1.4553 CCOC(=O)[C@H](C)NCc1ccccc1O AIFCHEM-94532456350 [0,1,0,0,0,1|1,0,0]=3 81 B16R1.4553 CCOC(=O)[C@H](C)NCc1ccncc1O AIFCHEM-5797705878 [0,1,0,0,0,1|2,0,0]=4 82 B16R1.4553 CCSC(=O)[C@H](C)NCc1ccccc1O AIFCHEM-94532459730 [0,1,0,0,0,1|1,1,0]=4 83 B16R1.6944 CC(C)NC(=O)[C@@H](C)OCc1ccccc1 AIFCHEM-94520543012 [0,1,0,0,0,1|2,0,0]=4 84 B16R1.6944 CC(C)NC(=O)[C@H](C)OCc1ccccc1 AIFCHEM-94520548162 [0,1,0,0,0,1|2,0,0]=4 85 B16R1.15344 CCOC(=O)C(C)(C)NCc1cccnc1 AIFCHEM-94589100821 [0,1,0,0,0,1|2,0,0]=4 86 B16R1.658 C#CCNC(=O)C(O)Cc1ccc(cc1)Cl AIFCHEM-94562250030 [0,2,0,0,0,0|1,0,1]=4 87 B16R1.658 C#CCNC(=O)[C@H](O)Cc1ccc(cc1)Br AIFCHEM-94588313584 [0,2,0,0,0,0|1,0,1]=4 88 B16R1.658 CCCNC(=O)C(O)Cc1ccc(cc1)O AIFCHEM-5793128189 [0,2,0,0,0,0|1,0,0]=3 89 B16R1.1159 CCN(C)C(=O)C(C)Cc1ccc(cc1)F AIFCHEM-94563265538 [0,2,0,0,0,0|2,0,0]=4 90 B16R1.1159 CCN(C)C(=O)[C@H](O)Cc1ccc(cc1)Br AIFCHEM-94556905819 [0,2,0,0,0,0|1,0,0]=3 91 B16R1.11234 CC(C)NC(=O)C(O)Cc1cccc(c1)Br AIFCHEM-94520543787 [0,2,0,0,0,0|1,0,0]=3 92 B16R1.1127 C#CC(C)NC(=O)C(C)Cc1ccccc1 AIFCHEM-5727528711 [0,2,0,0,0,0|2,0,0]=4 93 B16R1.1127 C#C[C@H](C)NC(=O)C(C)Cc1ccccc1 AIFCHEM-6036016102 [0,2,0,0,0,0|2,0,0]=4 94 B16R1.1216 CC#CCNC(=O)C(C)Cc1ccccc1 AIFCHEM-5776239543 [0,2,0,0,0,0|2,0,0]=4 95 B16R1.1216 CC(Cc1ccccc1)C(=O)NCCC#N AIFCHEM-5719837255 [0,2,0,0,0,0|2,0,0]=4 96 B16R1.1216 COCCNC(=O)C(C)Cc1ccccc1 AIFCHEM-6058136978 [0,2,0,0,0,0|2,0,0]=4 97 B16R1.1284 CC(=O)CNC(=O)C(C)Cc1ccccc1 AIFCHEM-6018630976 [0,2,0,0,0,0|2,0,0]=4 98 B16R1.7523 CCOCC(=O)N(C)Cc1ccccc1C AIFCHEM-5975687789 [0,2,0,0,0,0|2,0,0]=4 99 B16R1.7523 CCOCC(=O)N(C)Cc1ccccc1O AIFCHEM-94534584220 [0,2,0,0,0,0|2,0,0]=4 100 B16R2.11580 CC(C)NC(=O)C1CC1c2ccccc2 AIFCHEM-94520549856 [0,1,0,1,0,0|2,0,0]=4 101 B16R2.11580 CC(C)NC(=O)[C@@H]1C[C@@H]1c2ccccc2 AIFCHEM-94520552277 [0,1,0,1,0,0|2,0,0]=4 102 B16R2.11580 CC(C)NC(=O)[C@@H]1C[C@H]1c2ccccc2 AIFCHEM-94520548303 [0,1,0,1,0,0|2,0,0]=4 103 B16R2.11580 CC(C)NC(=O)[C@H]1C[C@@H]1c2ccccc2 AIFCHEM-94520547163 [0,1,0,1,0,0|2,0,0]=4 104 B16R2.27766 CC(Cc1ccccc1)C(=O)NC2CC2 AIFCHEM-94573319028 [0,1,0,1,0,0|2,0,0]=4 105 B16R2.27766 O=C(NC1CC1)C(O)Cc2ccccc2 AIFCHEM-94573430854 [0,1,0,1,0,0|1,0,0]=3 106 B16R2.27766 O=C(NC1CC1)[C@@H](O)Cc2ccccc2 AIFCHEM-94573322635 [0,1,0,1,0,0|1,0,0]=3 107 B16R2.27766 O=C(NC1CC1)[C@H](O)Cc2ccccc2 AIFCHEM-94573326914 [0,1,0,1,0,0|1,0,0]=3 108 B16R2.2114 CCCNC(=O)C1CC1c2ccccc2 AIFCHEM-94521379241 [0,1,0,1,0,0|2,0,0]=4 109 B16R2.2114 CCCNC(=O)[C@@H]1C[C@@H]1c2ccccc2 AIFCHEM-94521381662 [0,1,0,1,0,0|2,0,0]=4 110 B16R2.2114 CCCNC(=O)[C@@H]1C[C@H]1c2ccccc2 AIFCHEM-5792974798 [0,1,0,1,0,0|2,0,0]=4 111 B16R2.2114 CCCNC(=O)[C@H]1C[C@@H]1c2ccccc2 AIFCHEM-5815320827 [0,1,0,1,0,0|2,0,0]=4 112 B16R2.147215 O=C(C(O)Cc1ccccc1)N2CCC2 AIFCHEM-94573433636 [0,1,0,1,0,0|1,0,0]=3 113 B16R2.147215 O=C([C@@H](O)Cc1ccccc1)N2CCC2 AIFCHEM-6083834852 [0,1,0,1,0,0|1,0,0]=3 114 B16R2.147215 O=C([C@H](O)Cc1ccccc1)N2CCC2 AIFCHEM-94604933146 [0,1,0,1,0,0|1,0,0]=3 115 B16R2.2189 CCN(C)C(=O)C1Cc2ccccc2O1 AIFCHEM-94563264794 [0,1,0,1,0,0|1,0,0]=3 116 B14R1.520 CCOC(=O)CNCc1ccncn1 AIFCHEM-5643676024 [1,0,0,0,0,1|2,0,0]=4 117 B14R1.520 CCOC(=O)CNCc1cnccn1 AIFCHEM-5593319234 [1,0,0,0,0,1|2,0,0]=4 118 B14R1.520 CCOC(=O)CNCc1ncccn1 AIFCHEM-5593123893 [1,0,0,0,0,1|2,0,0]=4 119 B16R1.1570 CCOC(=O)CC(C)NCc1ccccn1 AIFCHEM-94544064022 [0,0,0,0,0,2|2,0,0]=4 120 B16R1.1570 CCOC(=O)C[C@H](C)NCc1ccccn1 AIFCHEM-6035076889 [0,0,0,0,0,2|2,0,0]=4 121 B16R1.14049 CCOC(=O)C(C)CNCc1ccccc1 AIFCHEM-94554631033 [0,0,0,0,0,2|1,0,0]=3