0 B14R1.60 CC(N(CC#C)C)Cc1ccccc1 1P00BVIA [0,0,0,0,0,0|0,0,0]=0 1 B14R1.60 CN(C(=O)CC#N)Cc1ccccc1 1P01B24Y [0,0,0,0,0,0|4,0,0]=4 2 B14R1.60 CNCC(N(Cc1ccccc1)C)C 1P0284H1 [0,0,0,0,0,0|3,0,1]=4 3 B14R1.60 C[C@@H](N(CC#C)C)Cc1ccccc1 1P001E5Z [0,0,0,0,0,0|0,0,0]=0 4 B14R1.60 NCCC(N(Cc1ccccc1)C)C 1P019TTB [0,0,0,0,0,0|3,0,1]=4 5 B13R1.42 N#CC=C(CCc1ccccc1)C 1P005YZQ [1,0,0,0,0,0|2,0,1]=4 6 B13R1.42 N#CCC(=O)CCc1ccccc1 1P01AKP7 [1,0,0,0,0,0|3,0,0]=4 7 B13R1.42 NCCN(CCc1ccccc1)C 1P001TZY [1,0,0,0,0,0|1,0,1]=3 8 B13R1.42 OCCC(CCc1ccccc1)C 1P00DEIU [1,0,0,0,0,0|2,0,1]=4 9 B13R1.44 C#CCNC(=O)Nc1ccccc1 1P00069K [1,0,0,0,0,0|2,0,1]=4 10 B13R1.44 CC(Cc1ccccc1)NCC#C 1P002IEE [1,0,0,0,0,0|0,0,0]=1 11 B13R1.44 CC(Cc1ccccc1)NCC#C 1P019SIY [1,0,0,0,0,0|0,0,0]=1 12 B13R1.44 CN(Cc1ccccc1)CCC#C 1P028TBB [1,0,0,0,0,0|2,0,0]=3 13 B13R1.135 CCC(=O)C(Cc1ccccc1)C 1P01EKCK [1,0,0,0,0,0|2,0,1]=4 14 B13R1.135 NCC(N(Cc1ccccc1)C)C 1P01AHNP [1,0,0,0,0,0|3,0,0]=4 15 B15R1.48 CC(N(CC#C)C)Cc1ccc(cc1)F 1P01XCWR [0,1,0,0,0,0|0,0,0]=1 16 B15R1.551 CN(C(=O)Nc1ccccc1)OCC#C 1P0283V0 [0,1,0,0,0,0|2,0,1]=4 17 B15R1.973 COC(=O)N(C(Cc1ccccc1)C)C 1P01XHWN [0,1,0,0,0,0|1,0,2]=4 18 B15R2.38 CN1CCNCC1Cc2ccccc2 1P01BA6V [0,0,0,1,0,0|1,0,1]=3 19 B15R2.1356 NCCN(C1Cc2c(C1)cccc2)C 1P028D34 [0,0,0,1,0,0|1,0,1]=3 20 B13R1.47 CN(C(=O)c1ccccc1)CC#N 1P01AJR7 [0,0,0,0,1,0|2,0,1]=4 21 B13R1.47 NCCN(C(c1ccccn1)C)C 1P01DZ2F [0,0,0,0,1,0|2,0,1]=4 22 B12R1.8 C#CCCCSc1ccccc1 1P008LOM [2,0,0,0,0,0|2,0,0]=4 23 B12R1.8 C#CCCOCc1ccccc1 1P01G7ER [2,0,0,0,0,0|2,0,0]=4 24 B12R1.8 C#CCNOCc1ccccc1 1P01KX40 [2,0,0,0,0,0|1,0,0]=3 25 B12R1.8 C=CCNCCc1ccccc1 1P00JU2L [2,0,0,0,0,0|0,0,2]=4 26 B12R1.8 C=CCNCCc1ccccc1 1P00JU2M [2,0,0,0,0,0|0,0,2]=4 27 B12R1.8 CCCNCCc1ccccc1 1P00BF9Y [2,0,0,0,0,0|0,0,2]=4 28 B12R1.8 OCCNCCc1ccccc1 1P00BW7K [2,0,0,0,0,0|1,0,1]=4 29 B12R1.27 C#CC(=O)CCc1ccccc1 1P01BEL7 [2,0,0,0,0,0|2,0,0]=4 30 B12R1.27 O=NN(CCc1ccccc1)C 1P0011B0 [2,0,0,0,0,0|2,0,0]=4 31 B12R1.27 OCC(CCc1ccccc1)C 1P0293DW [2,0,0,0,0,0|2,0,0]=4 32 B12R1.32 CN(Cc1ccccc1)CC#C 1P00313U [2,0,0,0,0,0|1,0,0]=3 33 B12R1.32 CN(Cc1ccccc1)CC#C 1P00DE8W [2,0,0,0,0,0|1,0,0]=3 34 B12R1.32 CN(Cc1ccccc1)CC#N 1P00HXAU [2,0,0,0,0,0|2,0,0]=4 35 B12R1.32 CNCC(Cc1ccccc1)C 1P01DXOI [2,0,0,0,0,0|1,0,1]=4 36 B12R1.32 NC(Cc1ccccc1)CC#C 1P01BAK1 [2,0,0,0,0,0|1,0,0]=3 37 B12R1.32 NCCC(Cc1ccccc1)C 1P027WMS [2,0,0,0,0,0|1,0,1]=4 38 B12R1.43 CC(C(=O)C)Cc1ccccc1 1P00C216 [2,0,0,0,0,0|2,0,0]=4 39 B12R1.43 CC(C(C)C)Nc1ccccc1 1P00016P [2,0,0,0,0,0|2,0,0]=4 40 B12R1.43 CN(C(=O)Cc1ccccc1)C 1P002ILY [2,0,0,0,0,0|1,0,1]=4 41 B12R1.43 N[C@H](C(C)C)Cc1ccccc1 1P006XWD [2,0,0,0,0,0|2,0,0]=4 42 B12R1.43 OC(C(C)C)Cc1ccccc1 1P00FU0X [2,0,0,0,0,0|2,0,0]=4 43 B14R1.156 OC(CCC#C)CCc1ccccc1 1P028N5Q [1,1,0,0,0,0|2,0,0]=4 44 B14R1.818 CN(CC(=O)O)CCc1ccccc1 1P01BVJN [1,1,0,0,0,0|1,0,1]=4 45 B14R1.6829 C#CCC(OCc1ccccc1)(C)C 1P01XHAH [1,1,0,0,0,0|2,0,0]=4 46 B14R1.33 OC(Cc1ccc(cc1)F)CCC#C 1P027Z9K [1,1,0,0,0,0|2,0,0]=4 47 B14R1.34 C#CCNC(Cc1cccc(c1)F)C 1P01DW81 [1,1,0,0,0,0|0,0,0]=2 48 B14R1.158 CCCCNC(Cc1ccccc1)C 1P01EQCW [1,1,0,0,0,0|0,0,2]=4 49 B14R1.85 O=CN(C(C(c1ccccc1)O)C)C 1P01C0W5 [1,1,0,0,0,0|1,0,1]=4 50 B14R1.425 CC(N(C(=O)C)C)Cc1ccccc1 1P002V66 [1,1,0,0,0,0|0,0,2]=4 51 B14R1.604 CN(C(c1ccccc1)C#N)CC#N 1P01BHBQ [0,1,0,0,1,0|1,0,1]=4 52 B14R2.21 CN1CCNC(C1)c2ccccc2 1P00339L [1,0,0,1,0,0|1,0,1]=4 53 B14R2.112 N#CCN1CCc2c(C1)cccc2 1P006O84 [1,0,0,1,0,0|1,0,0]=3 54 B14R2.112 NCCN1CCc2c(C1)cccc2 1P00DBXT [1,0,0,1,0,0|1,0,1]=4 55 B14R2.112 OCCN1CCc2c(C1)cccc2 1P004H5B [1,0,0,1,0,0|1,0,1]=4 56 B14R2.203 NCC1N(C)CCc2c1cccc2 1P028CAW [1,0,0,1,0,0|1,0,1]=4 57 B14R2.598 NC1CN(CC1c2ccccc2)C 1P019UKH [1,0,0,1,0,0|1,0,1]=4 58 B14R2.6 C1CCC(NC1)Cc2ccccc2 1P00BZDM [1,0,0,1,0,0|0,0,2]=4 59 B14R2.6 N1CCNC(C1)Cc2ccccc2 1P0055H0 [1,0,0,1,0,0|1,0,1]=4 60 B14R2.6 N1CCNC(C1)Cc2ccccc2 1P0092W2 [1,0,0,1,0,0|1,0,1]=4 61 B14R2.6 N1CCN[C@@H](C1)Cc2ccccc2 1P01KKU5 [1,0,0,1,0,0|1,0,1]=4 62 B14R2.6 N1CCN[C@H](C1)Cc2ccccc2 1P009I6U [1,0,0,1,0,0|1,0,1]=4 63 B14R2.6 O1CCNC(C1)Cc2ccccc2 1P000EHV [1,0,0,1,0,0|1,0,1]=4 64 B14R2.6 O1CCNC(C1)Cc2ccccc2 1P00G8NT [1,0,0,1,0,0|1,0,1]=4 65 B14R2.6 O1CCN[C@@H](C1)Cc2ccccc2 1P006YGU [1,0,0,1,0,0|1,0,1]=4 66 B14R2.6 O1CCN[C@H](C1)Cc2ccccc2 1P005R73 [1,0,0,1,0,0|1,0,1]=4 67 B14R2.67 C#CCCN1Cc2c(C1)cccc2 1P0287Y1 [1,0,0,1,0,0|2,0,0]=4 68 B14R2.67 CCCNC1Cc2c(C1)cccc2 1P00J2B0 [1,0,0,1,0,0|0,0,2]=4 69 B14R2.90 C#CC1CN(C1)Cc2ccccc2 1P01BIBQ [1,0,0,1,0,0|2,0,0]=4 70 B14R2.411 CC1(CCCN1)Cc2ccccc2 1P01AD3N [1,0,0,1,0,0|0,0,2]=4 71 B14R2.517 C#CCn1c(C)nc2c1cccc2 1P00CX2Z [1,0,0,1,0,0|1,0,1]=4 72 B14R2.517 NCCN1C(C)Cc2c1cccc2 1P019UT3 [1,0,0,1,0,0|1,0,1]=4 73 B14R2.517 NCCN1C(C)Cc2c1cccc2 1P01A7PE [1,0,0,1,0,0|1,0,1]=4 74 B16R2.6780 N[C@@H]([C@@H](N1CCCC1)C)c2ccccc2 1P028O3R [0,1,0,1,0,0|0,0,2]=4 75 B16R2.6780 O[C@@H]([C@@H](N1CCCC1)C)c2ccccc2 1P000XPI [0,1,0,1,0,0|0,0,2]=4 76 B16R2.6780 O[C@H]([C@H](N1CCCC1)C)c2ccccc2 1P000LC8 [0,1,0,1,0,0|0,0,2]=4 77 B16R2.101 OC[C@H](N1CCCC1)Cc2ccccc2 1P00IE3F [0,1,0,1,0,0|0,0,2]=4 78 B12R1.30 C#CCNC(=O)c1ccccc1 1P001EFN [1,0,0,0,1,0|1,0,1]=4 79 B12R1.30 C=CCNC(c1ccccc1)C 1P01AX3I [1,0,0,0,1,0|0,0,2]=4 80 B12R1.30 CC(c1ccccc1)NCC#C 1P00IALV [1,0,0,0,1,0|0,0,0]=2 81 B12R1.30 CCCNC(c1ccccc1)C 1P00BBYH [1,0,0,0,1,0|0,0,2]=4 82 B12R1.30 CN(c1ccccc1)CCC#C 1P0013HQ [1,0,0,0,1,0|2,0,0]=4 83 B12R1.30 NC(c1ccccc1)CCC#C 1P01DWCL [1,0,0,0,1,0|2,0,0]=4 84 B12R1.30 OC(c1ccccc1)CCC#C 1P01DZO5 [1,0,0,0,1,0|2,0,0]=4 85 B12R1.30 OCCN[C@@H](c1ccccc1)C 1P0059K4 [1,0,0,0,1,0|1,0,1]=4 86 B12R1.30 OCCN[C@H](c1ccccc1)C 1P00IC3Y [1,0,0,0,1,0|1,0,1]=4 87 B14R1.520 OCCN(CCOc1ccccc1)C 1P000A9E [1,0,0,0,0,1|1,0,1]=4