0 B16R2.11796 CN1C(=O)CC(C1=O)(C)c2ccccc2 1P00548R [0,0,0,0,0,0|0,0,0]=0 1 B16R2.11796 NN1C(=O)NC(C1=O)(C)c2ccccc2 1P005KT9 [0,0,0,0,0,0|2,0,0]=2 2 B15R2.321 CN1C(=O)C=C(C1=O)c2ccccc2 1P01DXP6 [1,0,0,0,0,0|0,0,2]=3 3 B15R2.321 CN1C(=O)CC(C1=O)c2ccccc2 1P00GTMS [1,0,0,0,0,0|0,0,0]=1 4 B15R2.324 CC1(NC(=O)NC1=O)c2cnccn2 1P01AJUV [1,0,0,0,0,0|3,0,0]=4 5 B15R2.324 CC1NC(=O)OC1(C)c2ccccc2 1P00FA3N [1,0,0,0,0,0|2,0,1]=4 6 B15R2.324 O=C1N=C(OC1(C)c2ccccc2)N 1P01A5EO [1,0,0,0,0,0|2,0,1]=4 7 B15R2.324 O=C1NC(=O)C(N1)(C)c2ccccn2 1P019NB8 [1,0,0,0,0,0|2,0,0]=3 8 B15R2.324 O=C1NC(=O)C(N1)(C)c2cccnc2 1P019UB9 [1,0,0,0,0,0|2,0,0]=3 9 B15R2.324 O=C1NC(=O)C(N1)(C)c2cccnc2 1P01A35S [1,0,0,0,0,0|2,0,0]=3 10 B15R2.324 O=C1NC(=O)CC1(C)c2ccccc2 1P001MEQ [1,0,0,0,0,0|0,0,0]=1 11 B15R2.324 O=C1NC(=O)C[C@]1(C)c2ccccc2 1P028XQB [1,0,0,0,0,0|0,0,0]=1 12 B15R2.324 O=C1NC(=O)NC1(C)c2ccccc2 1P006KAW [1,0,0,0,0,0|1,0,0]=2 13 B15R2.324 O=C1NC(=O)NC1(C)c2ccncc2 1P00EJAH [1,0,0,0,0,0|2,0,0]=3 14 B15R2.324 O=C1NC(=O)N[C@@]1(C)c2ccccc2 1P01A6TX [1,0,0,0,0,0|1,0,0]=2 15 B15R2.324 O=C1NC(=O)N[C@]1(C)c2ccccc2 1P0005OZ [1,0,0,0,0,0|1,0,0]=2 16 B15R2.324 O=C1NC(=O)OC1(C)c2ccccc2 1P00A85J [1,0,0,0,0,0|1,0,0]=2 17 B15R2.324 O=C1OC(=O)CC1(C)c2ccccc2 1P019OZG [1,0,0,0,0,0|1,0,0]=2 18 B17R2.13193 CCC1(NC(=O)N(C1=O)C)c2ccccc2 1P00620E [0,1,0,0,0,0|1,0,0]=2 19 B17R2.13193 CCC1(NC(=O)N(C1=O)N)c2ccccc2 1P000AI1 [0,1,0,0,0,0|2,0,0]=3 20 B17R2.346685 CN1C(=O)NC(C1=O)(C)c2ccc(cc2)N 1P01B2A3 [0,1,0,0,0,0|1,0,0]=2 21 B17R2.346685 Nc1ccc(cc1)C2(C)NC(=O)N(C2=O)N 1P01A1KG [0,1,0,0,0,0|2,0,0]=3 22 B15R2.7088 O=C1NC(C(=O)N1N)(C)c2ccco2 1P019KQI [0,0,0,0,1,0|3,0,0]=4 23 B14R1.415 NC(c1ccccc1)CC(=O)N(C)C 1P019XSW [1,0,1,0,0,0|1,0,1]=4 24 B14R1.415 NC(c1ccccc1)CC(=O)N(C)C 1P01BBT1 [1,0,1,0,0,0|1,0,1]=4 25 B14R1.417 CN(c1ccccc1)C(=O)CC(=O)C 1P00BVY2 [1,0,1,0,0,0|2,0,0]=4 26 B14R1.417 ClC(c1ccccc1)C(=O)NC(=O)N 1P006VG6 [1,0,1,0,0,0|2,0,0]=4 27 B14R1.425 CC(N(C(=O)C)C)Cc1ccccc1 1P002V66 [1,0,1,0,0,0|1,0,1]=4 28 B14R1.756 CON(C(=O)CCc1ccccc1)C 1P007USN [1,0,1,0,0,0|2,0,0]=4 29 B14R1.741 CCC(=O)CC(c1ccccc1)(C)C 1P00DGF4 [1,0,1,0,0,0|1,0,1]=4 30 B14R1.741 COC(=O)CC(c1ccccc1)(N)C 1P01ADMR [1,0,1,0,0,0|2,0,0]=4 31 B14R1.521 COC(=O)N(c1ccccc1)CC=O 1P01AKMB [1,0,1,0,0,0|2,0,0]=4 32 B14R1.2982 NCC(c1ccccc1)(C(=O)OC)C 1P01B23S [1,0,1,0,0,0|2,0,0]=4 33 B14R1.2982 OCC(c1ccccc1)(C(=O)OC)C 1P01AGTY [1,0,1,0,0,0|1,0,1]=4 34 B14R1.3642 O=CC(c1ccccc1)(CN(C)C)C 1P01AUX2 [1,0,1,0,0,0|2,0,0]=4 35 B14R2.260 CN1N=C(CC1=O)c2ccccc2 1P00D7JW [2,0,0,0,0,0|1,0,1]=4 36 B14R2.260 Cn1cc(sc1=O)c2ccccc2 1P0281U3 [2,0,0,0,0,0|1,0,1]=4 37 B14R2.2950 O=C1CCC(C1)(C)c2ccccc2 1P01AGHK [2,0,0,0,0,0|1,0,1]=4 38 B14R2.2950 O=C1NCC(C1)(C)c2ccccc2 1P01AGDX [2,0,0,0,0,0|0,0,1]=3 39 B14R2.2950 O=C1NCC(C1)(C)c2ccccn2 1P01A7H8 [2,0,0,0,0,0|1,0,1]=4 40 B14R2.2950 O=C1NCC(C1)(C)c2cccnc2 1P01AGFC [2,0,0,0,0,0|1,0,1]=4 41 B14R2.598 O=C1CC(=O)CN1c2ccccc2 1P000EYC [2,0,0,0,0,0|2,0,0]=4 42 B14R2.598 O=C1NC(=NC1c2ccccc2)N 1P00EXON [2,0,0,0,0,0|2,0,0]=4 43 B14R2.598 O=C1NC(=O)C=C1c2ccccc2 1P007HKY [2,0,0,0,0,0|0,0,2]=4 44 B14R2.598 O=C1NC(=O)CC1c2ccccc2 1P00L36K [2,0,0,0,0,0|0,0,0]=2 45 B14R2.598 O=C1NC(=O)CN1c2ccccc2 1P019LSD [2,0,0,0,0,0|1,0,0]=3 46 B14R2.598 O=C1NC(=O)NC1c2ccccc2 1P0042MT [2,0,0,0,0,0|1,0,0]=3 47 B14R2.598 O=C1NC(=O)OC1c2ccccc2 1P00ECQQ [2,0,0,0,0,0|1,0,0]=3 48 B14R2.598 O=C1OC(=O)CC1c2ccccc2 1P003U6U [2,0,0,0,0,0|1,0,0]=3 49 B14R2.598 O=C1OC(=O)C[C@H]1c2ccccc2 1P000DEV [2,0,0,0,0,0|1,0,0]=3 50 B14R2.598 O=C1OC(=O)N[C@H]1c2ccccc2 1P01DFBT [2,0,0,0,0,0|2,0,0]=4 51 B14R2.598 O=c1[nH]c(=O)[nH]n1c2ccccc2 1P005MUC [2,0,0,0,0,0|2,0,0]=4 52 B14R2.317 O=C1NCCC1(C)c2ccccc2 1P01AGPR [2,0,0,0,0,0|0,0,1]=3 53 B16R2.10928 CCN1C(=O)NC(C1=O)c2ccccc2 1P00GYGL [1,1,0,0,0,0|1,0,0]=3 54 B16R2.97836 OC1C(=O)N(C(=O)N1c2ccccc2)C 1P007FRP [1,1,0,0,0,0|1,0,0]=3 55 B16R2.46425 CCC1(NC(=O)NC1=O)c2ccccc2 1P00EB1E [1,1,0,0,0,0|1,0,0]=3 56 B16R2.46425 NCC1(NC(=O)NC1=O)c2ccccc2 1P01EJWC [1,1,0,0,0,0|1,0,0]=3 57 B16R2.80686 O=C1NC(=O)C(N1)(C)c2cccc(c2)Br 1P00FHEK [1,1,0,0,0,0|1,0,0]=3 58 B16R2.80686 O=C1NC(=O)C(N1)(C)c2cccc(c2)Cl 1P00FMIK [1,1,0,0,0,0|1,0,0]=3 59 B16R2.80686 O=C1NC(=O)C(N1)(C)c2cccc(c2)N 1P019UP8 [1,1,0,0,0,0|1,0,0]=3 60 B16R2.84020 CC1(NC(=O)NC1=O)c2cccnc2Cl 1P01A1GM [1,1,0,0,0,0|2,0,0]=4 61 B16R2.84020 O=C1NC(=O)C(N1)(C)c2ccccc2Br 1P019PHW [1,1,0,0,0,0|1,0,0]=3 62 B16R2.84020 O=C1NC(=O)C(N1)(C)c2ccccc2C 1P01AASJ [1,1,0,0,0,0|1,0,0]=3 63 B16R2.84020 O=C1NC(=O)C(N1)(C)c2ccccc2F 1P01A80N [1,1,0,0,0,0|1,0,0]=3 64 B16R2.84020 O=C1NC(=O)C(N1)(C)c2ccccc2N 1P01AATT [1,1,0,0,0,0|1,0,0]=3 65 B16R2.167681 O=C1NC(=NC1(C)c2ccc(cc2)Br)S 1P01B9LD [1,1,0,0,0,0|1,1,0]=4 66 B16R2.167681 O=C1NC(=O)CC1(C)c2ccc(cc2)Br 1P01A9ZJ [1,1,0,0,0,0|0,0,0]=2 67 B16R2.167681 O=C1NC(=O)CC1(C)c2ccc(cc2)C 1P01A3E1 [1,1,0,0,0,0|0,0,0]=2 68 B16R2.167681 O=C1NC(=O)CC1(C)c2ccc(cc2)Cl 1P01C2KJ [1,1,0,0,0,0|0,0,0]=2 69 B16R2.167681 O=C1NC(=O)CC1(C)c2ccc(cc2)F 1P01BG5H [1,1,0,0,0,0|0,0,0]=2 70 B16R2.167681 O=C1NC(=O)CC1(C)c2ccc(cc2)N 1P01B76D [1,1,0,0,0,0|0,0,0]=2 71 B16R2.167681 O=C1NC(=O)NC1(C)c2cc[n+](cc2)C 1P01AAUD [1,1,0,0,0,0|2,0,0]=4 72 B16R2.167681 O=C1NC(=O)NC1(C)c2ccc(cc2)Br 1P00EL6P [1,1,0,0,0,0|1,0,0]=3 73 B16R2.167681 O=C1NC(=O)NC1(C)c2ccc(cc2)C 1P019PGR [1,1,0,0,0,0|1,0,0]=3 74 B16R2.167681 O=C1NC(=O)NC1(C)c2ccc(cc2)Cl 1P019I7K [1,1,0,0,0,0|1,0,0]=3 75 B16R2.167681 O=C1NC(=O)NC1(C)c2ccc(cc2)F 1P00I8PY [1,1,0,0,0,0|1,0,0]=3 76 B16R2.167681 O=C1NC(=O)NC1(C)c2ccc(cc2)I 1P01ABGW [1,1,0,0,0,0|1,0,0]=3 77 B16R2.167681 O=C1NC(=O)NC1(C)c2ccc(cc2)N 1P019MZ8 [1,1,0,0,0,0|1,0,0]=3 78 B16R2.167681 O=C1NC(=O)NC1(C)c2ccc(cc2)O 1P019V9H [1,1,0,0,0,0|1,0,0]=3 79 B16R2.167681 O=C1OC(=O)CC1(C)c2ccc(cc2)Br 1P01A20N [1,1,0,0,0,0|1,0,0]=3 80 B16R2.167681 O=C1OC(=O)CC1(C)c2ccc(cc2)Cl 1P01APLI [1,1,0,0,0,0|1,0,0]=3 81 B16R2.167681 O=C1OC(=O)CC1(C)c2ccc(cc2)F 1P01BG5I [1,1,0,0,0,0|1,0,0]=3 82 B18R2.20329 CCC1(NC(=O)N(C1=O)C)c2ccc(cc2)O 1P00IBE0 [0,2,0,0,0,0|1,0,0]=3 83 B18R2.189837 CC[C@]1(c2ccccc2)N(C)C(=O)N(C1=O)C 1P002DZS [0,2,0,0,0,0|1,0,0]=3 84 B18R2.172411 COc1cccc(c1)C2(C)NC(=O)N(C2=O)N 1P019JSD [0,2,0,0,0,0|2,0,0]=4 85 B18R2.35637 COc1ccc(cc1)C2(C)NC(=O)N(C2=O)N 1P019IWA [0,2,0,0,0,0|2,0,0]=4 86 B16R2.22304 BrC1C(=O)CC(CC1=O)c2ccccc2 1P01DDKH [0,0,1,1,0,0|2,0,0]=4 87 B16R2.34184 COC(=O)C1(CC(=O)C1)c2ccccc2 1P00HAKV [0,0,1,1,0,0|1,0,0]=3 88 B16R3.19959 O=C1OC(=O)C2C1(C2)c3ccccc3 1P019U7R [1,0,0,1,0,0|1,0,0]=3 89 B14R2.4454 O=C1NC(=O)C(C1)(C)c2cscc2 1P019Z9K [1,0,0,0,1,0|1,0,0]=3 90 B14R2.4454 O=C1NC(=O)C(N1)(C)c2ccco2 1P006XRU [1,0,0,0,1,0|2,0,0]=4 91 B14R2.4454 O=C1NC(=O)C(N1)(C)c2cccs2 1P00F5PG [1,0,0,0,1,0|2,0,0]=4 92 B14R2.4454 O=C1NC(=O)C(N1)(C)c2cscc2 1P01A99R [1,0,0,0,1,0|2,0,0]=4 93 B14R2.4454 O=C1OC(=O)C(C1)(C)c2cscc2 1P019Z9L [1,0,0,0,1,0|2,0,0]=4 94 B16R2.2998 O=C1NC(=O)CCC1(C)c2ccncc2 1P01C3Q9 [1,0,0,0,0,1|1,0,0]=3 95 B16R2.11768 O=C1NC(=O)NC1(C)Cc2ccccc2 1P028V1M [1,0,0,0,0,1|1,0,0]=3 96 B16R2.11768 O=C1NC(=O)NC1(C)Cc2ccncc2 1P028RDU [1,0,0,0,0,1|2,0,0]=4 97 B18R2.270907 O=C1NC(C(=O)N1N)(C)CCc2ccccc2 1P019OPP [0,0,0,0,0,2|2,0,0]=4