0 B16R2.42567 CCc1ccc2c(c1)c(c[nH]2)CC(=O)O 1P00D95K [0,0,0,0,0,0|4,0,0]=4 1 B16R2.42567 COc1ccc2c(c1)c(c[nH]2)CC(=O)N 1P002OVQ [0,0,0,0,0,0|3,0,0]=3 2 B16R2.42567 COc1ccc2c(c1)c(c[nH]2)CC(=O)O 1P003NB2 [0,0,0,0,0,0|3,0,0]=3 3 B16R2.42567 COc1ccc2c(c1)c(c[nH]2)CN(C)C 1P001X1R [0,0,0,0,0,0|0,0,0]=0 4 B15R2.9410 CC(=O)Cc1c[nH]c2c1cc(F)cc2 1P0280MK [1,0,0,0,0,0|3,0,0]=4 5 B15R2.9410 CC(=O)Oc1c[nH]c2c1cc(C)cc2 1P01AIG3 [1,0,0,0,0,0|3,0,0]=4 6 B15R2.9410 CC(Cc1c[nH]c2c1cc(C)cc2)N 1P00P2LZ [1,0,0,0,0,0|2,0,0]=3 7 B15R2.9410 CC(Cc1c[nH]c2c1cc(Cl)cc2)N 1P00JDHQ [1,0,0,0,0,0|3,0,0]=4 8 B15R2.9410 CC(Cc1c[nH]c2c1cc(F)cc2)N 1P00FQXU [1,0,0,0,0,0|3,0,0]=4 9 B15R2.9410 CC(Cc1c[nH]c2c1cc(O)cc2)N 1P0030GN [1,0,0,0,0,0|2,0,0]=3 10 B15R2.9410 CC(Cc1c[nH]c2c1cc(O)cc2)N 1P01ENX9 [1,0,0,0,0,0|2,0,0]=3 11 B15R2.9410 CC(Cc1csc2c1cc(O)cc2)N 1P028XSW [1,0,0,0,0,0|3,0,0]=4 12 B15R2.9410 CN(Cc1c[nH]c2c1cc(Br)cc2)C 1P003DHV [1,0,0,0,0,0|1,0,0]=2 13 B15R2.9410 CN(Cc1c[nH]c2c1cc(Br)cn2)C 1P0027V7 [1,0,0,0,0,0|2,0,0]=3 14 B15R2.9410 CN(Cc1c[nH]c2c1cc(C)cc2)C 1P00BEKD [1,0,0,0,0,0|0,0,0]=1 15 B15R2.9410 CN(Cc1c[nH]c2c1cc(Cl)cc2)C 1P00G3PW [1,0,0,0,0,0|1,0,0]=2 16 B15R2.9410 CN(Cc1c[nH]c2c1cc(F)cc2)C 1P00BYE4 [1,0,0,0,0,0|1,0,0]=2 17 B15R2.9410 OC(=O)Cc1c[nH]c2c1cc(C)cc2 1P002FKT [1,0,0,0,0,0|3,0,0]=4 18 B15R2.9410 OC(=O)Cc1c[nH]c2c1cc(O)cc2 1P0010OK [1,0,0,0,0,0|3,0,0]=4 19 B15R2.54412 COc1cc2C(=CCc2cc1)CCN 1P01DZN8 [1,0,0,0,0,0|3,0,0]=4 20 B15R2.54412 N#CCc1c[nH]c2c1cc(OC)cc2 1P006WNY [1,0,0,0,0,0|2,0,0]=3 21 B15R2.54412 NCCc1c[nH]c2c1cc(OC)cc2 1P003IGR [1,0,0,0,0,0|2,0,0]=3 22 B15R2.54412 NCCc1c[nH]c2c1cc(OC)cc2 1P003NAF [1,0,0,0,0,0|2,0,0]=3 23 B15R2.54412 NCCc1c[nH]c2c1nc(OC)cc2 1P0290ME [1,0,0,0,0,0|3,0,0]=4 24 B15R2.54412 O=C=Nc1c[nH]c2c1cc(OC)cc2 1P028NH3 [1,0,0,0,0,0|3,0,0]=4 25 B15R2.54412 OCCc1c[nH]c2c1cc(OC)cc2 1P005KQ1 [1,0,0,0,0,0|2,0,0]=3 26 B17R2.11798 COc1ccc2c(c1)c(CC(=O)N)c([nH]2)C 1P001RZZ [0,1,0,0,0,0|3,0,0]=4 27 B17R2.11798 COc1ccc2c(c1)c(CC(=O)O)c([nH]2)C 1P0039AS [0,1,0,0,0,0|3,0,0]=4 28 B17R2.73215 CCC(Cc1c[nH]c2c1cc(OC)cc2)N 1P01EPHI [0,1,0,0,0,0|2,0,0]=3 29 B17R2.1146278 CN(Cc1c[nH]c2c1cc(cc2)C(=O)O)C 1P01BH0T [0,1,0,0,0,0|2,0,0]=3 30 B15R1.4 COc1ccc(cc1)CNCCN(C)C 1P01F8TC [0,0,1,0,0,0|2,0,1]=4 31 B15R1.4 COc1ccc(cc1)CNCCN(C)C 1P0285YI [0,0,1,0,0,0|2,0,1]=4 32 B15R1.4 COc1ccc(cc1)CNCCN(C)C 1P028D24 [0,0,1,0,0,0|2,0,1]=4 33 B15R1.1863 COc1ccc(c(c1)C(=O)OC(C)C)N 1P01EJTB [0,0,1,0,0,0|3,0,0]=4 34 B17R3.94568 COc1ccc2c(c1)c3CC(Cc3[nH]2)N 1P00VVFJ [0,0,0,1,0,0|2,0,0]=3 35 B15R2.3137 COc1ccc2c(c1)c(c[nH]2)C(=O)C 1P00DC42 [0,0,0,0,1,0|2,0,0]=3 36 B15R2.3137 COc1ccc2c(c1)c(c[nH]2)C(=O)O 1P0007VJ [0,0,0,0,1,0|3,0,0]=4 37 B17R2.73242 COc1ccc2c(c1)c(CCC(=O)O)c[nH]2 1P00398L [0,0,0,0,0,1|3,0,0]=4 38 B17R2.73242 COc1ccc2c(c1)c(CCN(C)C)c[nH]2 1P027SW0 [0,0,0,0,0,1|0,0,0]=1 39 B17R2.73242 COc1ccc2c(c1)c(CCN(C)C)c[nH]2 1P027SY7 [0,0,0,0,0,1|0,0,0]=1 40 B17R2.73242 COc1ccc2n(c1)c(CCN(C)C)nc2 1P027WN9 [0,0,0,0,0,1|3,0,0]=4 41 B17R2.73242 CSc1ccc2c(c1)c(CCN(C)C)c[nH]2 1P00E0ZP [0,0,0,0,0,1|0,1,0]=2 42 B17R2.73242 N#Cc1ccc2c(c1)c(CCN(C)C)c[nH]2 1P028VUF [0,0,0,0,0,1|2,0,0]=3 43 B14R1.74 COc1cccc(c1)C(=O)CC(C)C 1P01FF0Z [1,0,1,0,0,0|2,0,0]=4 44 B14R2.2 CC(=O)Cc1c[nH]c2c1cccc2 1P000QRT [2,0,0,0,0,0|2,0,0]=4 45 B14R2.2 CC(Cc1c[nH]c2c1cccc2)O 1P00CN5V [2,0,0,0,0,0|2,0,0]=4 46 B14R2.2 CN(Cc1c[nH]c2c1cccc2)C 1P003RA3 [2,0,0,0,0,0|0,0,0]=2 47 B14R2.2 CN(Cc1c[nH]c2c1cccn2)C 1P003T0Z [2,0,0,0,0,0|1,0,0]=3 48 B14R2.2 CN(Cc1c[nH]c2c1ccnc2)C 1P01BDQZ [2,0,0,0,0,0|1,0,0]=3 49 B14R2.2 CN(Cc1cnc2n1cccc2)C 1P01A787 [2,0,0,0,0,0|1,0,1]=4 50 B14R2.2 CN(Cn1ccc2c1cccc2)C 1P00DZE8 [2,0,0,0,0,0|2,0,0]=4 51 B14R2.6419 CNCc1c[nH]c2c1cc(Br)cc2 1P0293TG [2,0,0,0,0,0|1,0,0]=3 52 B14R2.6419 CNCc1c[nH]c2c1cc(C)cc2 1P00J3RD [2,0,0,0,0,0|0,0,0]=2 53 B14R2.6419 CNCc1c[nH]c2c1cc(Cl)cc2 1P027W7N [2,0,0,0,0,0|1,0,0]=3 54 B14R2.6419 N#CCc1c[nH]c2c1cc(O)cc2 1P0003OY [2,0,0,0,0,0|2,0,0]=4 55 B14R2.6419 NCCc1c[nH]c2c1cc(C)cc2 1P0003Y4 [2,0,0,0,0,0|2,0,0]=4 56 B14R2.6419 NCCc1c[nH]c2c1cc(O)cc2 1P0037JO [2,0,0,0,0,0|2,0,0]=4 57 B14R2.6419 NCCc1c[nH]c2c1cc(O)cc2 1P00D98H [2,0,0,0,0,0|2,0,0]=4 58 B14R2.6419 NCCc1c[nH]c2c1cc(O)cc2 1P00HYK7 [2,0,0,0,0,0|2,0,0]=4 59 B14R2.6419 OCCc1c[nH]c2c1cc(O)cc2 1P00APWX [2,0,0,0,0,0|2,0,0]=4 60 B14R2.2497 CCc1c[nH]c2c1cc(OC)cc2 1P01A4Q6 [2,0,0,0,0,0|0,0,0]=2 61 B14R2.2497 COc1ccc2c(c1)c(C#N)c[nH]2 1P002MMQ [2,0,0,0,0,0|0,0,2]=4 62 B14R2.2497 COc1ccc2c(c1)c(C=O)c[nH]2 1P007WI9 [2,0,0,0,0,0|1,0,1]=4 63 B14R2.2497 COc1ccc2c(c1)c(CN)c[nH]2 1P00EC6K [2,0,0,0,0,0|0,0,0]=2 64 B14R2.2497 COc1ccc2c(c1)c(CN)n[nH]2 1P0047EJ [2,0,0,0,0,0|1,0,0]=3 65 B16R2.13690 CN(Cc1c[nH]c2c1cc(Cl)c(c2)Cl)C 1P009WTG [1,1,0,0,0,0|1,0,0]=3 66 B16R2.15533 Brc1ccc2c(c1)c(c[nH]2)CC(N)(C)C 1P028S74 [1,1,0,0,0,0|2,0,0]=4 67 B16R2.15533 Fc1ccc2c(c1)c(c[nH]2)CC(N)(C)C 1P028JWJ [1,1,0,0,0,0|2,0,0]=4 68 B16R2.176359 CC(NC)Cc1c[nH]c2c1cc(F)cc2 1P0283BC [1,1,0,0,0,0|2,0,0]=4 69 B16R2.176359 OC[C@H](Cc1c[nH]c2c1cc(O)cc2)N 1P028RPO [1,1,0,0,0,0|2,0,0]=4 70 B16R2.42564 COc1ccc2c(c1)c(c[nH]2)C(=O)OC 1P00APLQ [1,1,0,0,0,0|1,0,1]=4 71 B16R2.42564 NCC(c1c[nH]c2c1cc(OC)cc2)C 1P028KO9 [1,1,0,0,0,0|2,0,0]=4 72 B16R2.7527 COc1ccc2c(c1)c(C(=O)C)c([nH]2)C 1P01EC3P [0,1,0,0,1,0|2,0,0]=4 73 B18R2.120972 CCN(CCc1c[nH]c2c1cc(OC)cc2)C 1P0079OS [0,1,0,0,0,1|0,0,0]=2 74 B18R2.173884 COc1ccc2c(c1)c(CCN(C)C)c([nH]2)C 1P00FCQJ [0,1,0,0,0,1|0,0,0]=2 75 B18R2.173750 COC(=O)Cc1c(C)[nH]c2c1cc(OC)cc2 1P005AB9 [0,2,0,0,0,0|2,0,0]=4 76 B18R2.564753 CN(Cc1c[nH]c2c1cc(cc2)OC(C)C)C 1P01AGA1 [0,2,0,0,0,0|0,0,0]=2 77 B18R2.690454 COC(=O)c1ccc2c(c1)c(c[nH]2)CN(C)C 1P01BBT2 [0,2,0,0,0,0|0,0,0]=2 78 B16R3.18423 Cc1cc2c3CC(Cc3[nH]c2cc1)N 1P0287W3 [1,0,0,1,0,0|2,0,0]=4 79 B16R3.49150 COc1ccc2c(c1)c3CCCc3[nH]2 1P00GUC0 [1,0,0,1,0,0|1,0,0]=3 80 B18R3.174331 COc1ccc2c(c1)c3CC(=O)CCc3[nH]2 1P00BI7N [0,1,0,1,0,0|2,0,0]=4 81 B18R3.174331 COc1ccc2c(c1)c3CC(C)CCc3[nH]2 1P01A4C8 [0,1,0,1,0,0|1,0,0]=3 82 B18R3.174331 COc1ccc2c(c1)c3CC(N)CCc3[nH]2 1P00EKUL [0,1,0,1,0,0|2,0,0]=4 83 B18R3.174331 COc1ccc2c(c1)c3CN(C)CCc3[nH]2 1P00CKHL [0,1,0,1,0,0|0,0,0]=2 84 B14R1.4 COc1ccc(cc1)NCCC(C)C 1P01AYLK [0,0,1,0,1,0|1,0,1]=4 85 B14R1.4 COc1ccc(cc1)OCCN(C)C 1P00DJ1F [0,0,1,0,1,0|1,0,1]=4 86 B14R1.80 NCC(c1cccc(c1)OC)N(C)C 1P00G3II [0,0,1,0,1,0|0,0,2]=4 87 B14R2.5816 Brc1ccc2c(c1)c(c[nH]2)C(C)C 1P01BIRA [1,0,0,0,1,0|2,0,0]=4 88 B14R2.5816 CN(c1n[nH]c2c1cc(Br)cc2)C 1P00DK4W [1,0,0,0,1,0|2,0,0]=4 89 B14R2.5816 Cc1ccc2c(c1)c(c[nH]2)C(=O)C 1P01DVP5 [1,0,0,0,1,0|2,0,0]=4 90 B14R2.5816 Clc1ccc2c(c1)c(c[nH]2)C(C)C 1P01BIRR [1,0,0,0,1,0|2,0,0]=4 91 B14R2.5816 Nc1ccc2c(c1)c(c[nH]2)C(C)C 1P028IDZ [1,0,0,0,1,0|2,0,0]=4 92 B16R2.15551 CN(CCc1c[nH]c2c1cc(Br)cc2)C 1P028AT5 [1,0,0,0,0,1|1,0,0]=3 93 B16R2.15551 CN(CCc1c[nH]c2c1cc(Cl)cc2)C 1P01LIUD [1,0,0,0,0,1|1,0,0]=3 94 B16R2.15551 CN(CCc1c[nH]c2c1cc(F)cc2)C 1P027TR3 [1,0,0,0,0,1|1,0,0]=3 95 B16R2.15551 CN(CCc1c[nH]c2c1cc(N)cc2)C 1P028CEA [1,0,0,0,0,1|1,0,0]=3 96 B16R2.36851 COc1cccc2c1c(c[nH]2)CN(C)C 1P006VA4 [0,0,0,0,1,1|0,0,0]=2 97 B18R2.120971 COc1ccc2c(c1)c(CCNC(=O)C)c[nH]2 1P00370O [0,0,0,0,0,2|2,0,0]=4 98 B18R2.120971 COc1ccc2c(c1)c(CCNC(C)C)c[nH]2 1P007WNI [0,0,0,0,0,2|1,0,0]=3