0 B16R2.2114 CCCNC(=O)C1CC1c2ccccc2 AIFCHEM-94521379241 [0,1,0,0,0,0|2,0,0]=3 1 B16R2.2114 CCCNC(=O)[C@@H]1C[C@@H]1c2ccccc2 AIFCHEM-94521381662 [0,1,0,0,0,0|2,0,0]=3 2 B16R2.2114 CCCNC(=O)[C@@H]1C[C@H]1c2ccccc2 AIFCHEM-5792974798 [0,1,0,0,0,0|2,0,0]=3 3 B16R2.2114 CCCNC(=O)[C@H]1C[C@@H]1c2ccccc2 AIFCHEM-5815320827 [0,1,0,0,0,0|2,0,0]=3 4 B16R2.11580 CC(C)NC(=O)C1CC1c2ccccc2 AIFCHEM-94520549856 [0,1,0,0,0,0|2,0,0]=3 5 B16R2.11580 CC(C)NC(=O)[C@@H]1C[C@@H]1c2ccccc2 AIFCHEM-94520552277 [0,1,0,0,0,0|2,0,0]=3 6 B16R2.11580 CC(C)NC(=O)[C@@H]1C[C@H]1c2ccccc2 AIFCHEM-94520548303 [0,1,0,0,0,0|2,0,0]=3 7 B16R2.11580 CC(C)NC(=O)[C@H]1C[C@@H]1c2ccccc2 AIFCHEM-94520547163 [0,1,0,0,0,0|2,0,0]=3 8 B14R1.520 CCOC(=O)CNCc1ccncn1 AIFCHEM-5643676024 [0,0,1,0,0,0|3,0,0]=4 9 B14R1.520 CCOC(=O)CNCc1cnccn1 AIFCHEM-5593319234 [0,0,1,0,0,0|3,0,0]=4 10 B14R1.520 CCOC(=O)CNCc1ncccn1 AIFCHEM-5593123893 [0,0,1,0,0,0|3,0,0]=4 11 B13R1.24 CCNCCC(O)c1ccccc1 AIFCHEM-94537422180 [1,0,1,0,0,0|1,0,1]=4 12 B13R1.135 CCC(=O)N(C)Cc1ccccc1 AIFCHEM-94536109342 [1,0,1,0,0,0|2,0,0]=4 13 B13R1.718 COC(=O)CNCc1ccncc1 AIFCHEM-6212392937 [1,0,1,0,0,0|2,0,0]=4 14 B15R1.947 CCN(C)C(=O)CC(O)c1ccccc1 AIFCHEM-94563266785 [0,1,1,0,0,0|1,0,0]=3 15 B15R1.1076 CC(C)NC(=O)CC(O)c1ccccc1 AIFCHEM-94520548313 [0,1,1,0,0,0|1,0,0]=3 16 B15R1.551 CCCNC(=O)C(O)Cc1ccccc1 AIFCHEM-94573426371 [0,1,1,0,0,0|1,0,0]=3 17 B15R1.551 CCCNC(=O)[C@@H](O)Cc1ccccc1 AIFCHEM-94521376007 [0,1,1,0,0,0|1,0,0]=3 18 B15R1.551 CCCNC(=O)[C@H](O)Cc1ccccc1 AIFCHEM-94521380286 [0,1,1,0,0,0|1,0,0]=3 19 B15R1.551 CCOCC(=O)N(C)Cc1ccccc1 AIFCHEM-94536107605 [0,1,1,0,0,0|2,0,0]=4 20 B15R1.11 CCOC(=O)CNCc1ccc(cn1)Cl AIFCHEM-5593249184 [0,1,1,0,0,0|2,0,0]=4 21 B15R1.89 CCNC(=O)CNC(C)c1ccccc1 AIFCHEM-94560531902 [0,1,1,0,0,0|2,0,0]=4 22 B15R1.633 CCOC(=O)CNCc1cc(ccn1)Cl AIFCHEM-5663245621 [0,1,1,0,0,0|2,0,0]=4 23 B15R1.633 CCOC(=O)CNCc1cccc(c1)I AIFCHEM-5592961134 [0,1,1,0,0,0|1,0,0]=3 24 B15R1.633 CCOC(=O)CNCc1cccc(n1)F AIFCHEM-5655379865 [0,1,1,0,0,0|2,0,0]=4 25 B15R1.809 CCOC(=O)CN(C)Cc1cccnc1 AIFCHEM-5819346205 [0,1,1,0,0,0|2,0,0]=4 26 B15R1.826 CCOC(=O)C(C)NCc1ccccn1 AIFCHEM-5832149572 [0,1,1,0,0,0|2,0,0]=4 27 B15R1.826 CCOC(=O)[C@@H](C)NCc1ccccn1 AIFCHEM-6153141758 [0,1,1,0,0,0|2,0,0]=4 28 B15R1.826 CCOC(=O)[C@H](C)NCc1ccccn1 AIFCHEM-5869945832 [0,1,1,0,0,0|2,0,0]=4 29 B15R1.1252 CCNC(=O)CNCc1ccccc1Br AIFCHEM-5793506292 [0,1,1,0,0,0|2,0,0]=4 30 B15R1.1252 CCNC(=O)CNCc1ccccc1O AIFCHEM-94532467747 [0,1,1,0,0,0|2,0,0]=4 31 B15R1.1252 CCOC(=O)CNCc1ccccc1F AIFCHEM-5592765854 [0,1,1,0,0,0|1,0,0]=3 32 B15R1.1252 CCOC(=O)CNCc1ccccc1I AIFCHEM-5592823750 [0,1,1,0,0,0|1,0,0]=3 33 B15R1.1252 CCOC(=O)CNCc1ccccc1O AIFCHEM-94532467783 [0,1,1,0,0,0|1,0,0]=3 34 B15R1.1252 CCOC(=O)CNCc1cccnc1O AIFCHEM-5593046096 [0,1,1,0,0,0|2,0,0]=4 35 B15R1.1252 CCOC(=O)CNCc1ccncc1Br AIFCHEM-5643718986 [0,1,1,0,0,0|2,0,0]=4 36 B15R1.1252 CCOC(=O)CNCc1ccncc1C AIFCHEM-5643802425 [0,1,1,0,0,0|2,0,0]=4 37 B15R1.1252 CCOC(=O)CNCc1ncccc1O AIFCHEM-5663258026 [0,1,1,0,0,0|2,0,0]=4 38 B15R1.1321 CCN(C)C(=O)CCCc1ccccc1 AIFCHEM-94563264578 [0,1,1,0,0,0|2,0,0]=4 39 B15R1.9084 CC(C)NC(=O)CCCc1ccccc1 AIFCHEM-94520546106 [0,1,1,0,0,0|2,0,0]=4 40 B17R2.2127 CSCCC(=O)NC1CC1c2ccccc2 AIFCHEM-6206202321 [0,1,0,0,0,1|2,0,0]=4 41 B17R2.2127 CSCCC(=O)N[C@@H]1C[C@H]1c2ccccc2 AIFCHEM-94600941012 [0,1,0,0,0,1|2,0,0]=4 42 B17R2.2127 CSCCC(=O)N[C@H]1C[C@@H]1c2ccccc2 AIFCHEM-5958467163 [0,1,0,0,0,1|2,0,0]=4 43 B17R2.2258 CCC(O)C(=O)NC1CC1c2ccccc2 AIFCHEM-6233449975 [0,1,0,0,0,1|2,0,0]=4 44 B17R2.2258 CCC(O)C(=O)N[C@@H]1C[C@H]1c2ccccc2 AIFCHEM-94600940683 [0,1,0,0,0,1|2,0,0]=4 45 B17R2.2258 CCC(O)C(=O)N[C@H]1C[C@@H]1c2ccccc2 AIFCHEM-5937060013 [0,1,0,0,0,1|2,0,0]=4 46 B17R2.2258 CC[C@@H](O)C(=O)NC1CC1c2ccccc2 AIFCHEM-6206482336 [0,1,0,0,0,1|2,0,0]=4 47 B17R2.2258 CC[C@@H](O)C(=O)N[C@@H]1C[C@H]1c2ccccc2 AIFCHEM-94600937127 [0,1,0,0,0,1|2,0,0]=4 48 B17R2.2258 CC[C@@H](O)C(=O)N[C@H]1C[C@@H]1c2ccccc2 AIFCHEM-5983875516 [0,1,0,0,0,1|2,0,0]=4 49 B17R2.2258 CC[C@H](O)C(=O)N[C@@H]1C[C@H]1c2ccccc2 AIFCHEM-94600938805 [0,1,0,0,0,1|2,0,0]=4 50 B17R2.2058 O=C(NCCF)C1CC1c2ccc(cc2)F AIFCHEM-5854032951 [0,2,0,0,0,0|2,0,0]=4 51 B17R2.2195 CCN(C)C(=O)C1CC1c2ccc(cc2)Cl AIFCHEM-6098062487 [0,2,0,0,0,0|2,0,0]=4 52 B17R2.2195 CCN(C)C(=O)C1CC1c2ccc(cc2)F AIFCHEM-94563270178 [0,2,0,0,0,0|2,0,0]=4 53 B17R2.2195 CCN(C)C(=O)[C@@H]1C[C@H]1c2ccc(cc2)Cl AIFCHEM-94563267319 [0,2,0,0,0,0|2,0,0]=4 54 B17R2.6821 CCN(C)C(=O)C1CC1c2ccccc2Br AIFCHEM-94527419146 [0,2,0,0,0,0|2,0,0]=4 55 B17R2.19509 Cc1cccc(c1)C2CC2C(=O)NC(C)C AIFCHEM-94598130021 [0,2,0,0,0,0|2,0,0]=4 56 B15R2.31 O=C1CN(CCO1)Cc2ccncc2 AIFCHEM-5843982444 [0,0,1,1,0,0|2,0,0]=4 57 B13R1.404 CCOC(=O)CNCc1ccco1 AIFCHEM-94540089204 [0,0,1,0,1,0|2,0,0]=4 58 B13R1.404 CCOC(=O)CNCc1ccsc1 AIFCHEM-5592841645 [0,0,1,0,1,0|2,0,0]=4 59 B17R2.6146 CCOC(=O)C1CC1CNc2ccccc2 AIFCHEM-94552034115 [0,0,0,0,0,2|1,0,0]=3 60 B17R2.6220 CCOC(=O)C1CC(C1)Nc2ccncc2 AIFCHEM-94533894408 [0,0,0,0,0,2|2,0,0]=4