0 B14R2.3 CCCCN1CCc2c1cccc2 CSC000020999 [0,0,0,0,0,0|2,0,2]=4 1 B14R2.3 CCCNC1CCc2c1cccc2 CSC000737437 [0,0,0,0,0,0|0,0,2]=2 2 B14R2.3 NCCCN1CCc2c1cccc2 CSC011191709 [0,0,0,0,0,0|3,0,1]=4 3 B13R2.1 NCCN1CCc2c1cccc2 CSC000746702 [1,0,0,0,0,0|2,0,1]=4 4 B15R2.65 NCCNC1CCc2c1cccc2Br CSC014371164 [0,1,0,0,0,0|1,0,1]=3 5 B15R2.73 O=C(CC#N)N1CCc2c1cccc2 CSC011202315 [0,1,0,0,0,0|3,0,0]=4 6 B15R2.1385 NCCNC1CCc2c1ccc(c2)Br CSC011409480 [0,1,0,0,0,0|1,0,1]=3 7 B15R2.1385 NCCNC1CCc2c1ccc(c2)Cl CSC012961157 [0,1,0,0,0,0|1,0,1]=3 8 B15R2.17719 NCCNC1CCc2c1cc(cc2)Br CSC014620978 [0,1,0,0,0,0|1,0,1]=3 9 B13R1.26 CCC(NCCO)c1ccccc1 CSC000713835 [0,0,1,0,0,0|1,0,1]=3 10 B13R1.84 CCCNCc1ccccc1OC CSC000189378 [0,0,1,0,0,0|1,0,2]=4 11 B13R1.674 CC(NCCN)c1ccccc1Br CSC011367381 [0,0,1,0,0,0|2,0,1]=4 12 B13R1.674 Nc1ccccc1C(=O)NCC#C CSC000204693 [0,0,1,0,0,0|2,0,1]=4 13 B15R2.18471 NCCNC1CCSc2c1cccc2 CSC011367405 [0,0,0,0,0,1|1,0,1]=3 14 B12R1.3 CCN(CC#C)c1ccccc1 CSC000224038 [1,0,1,0,0,0|1,0,0]=3 15 B12R1.3 CCN[C@H](CO)c1ccccc1 CSC012017371 [1,0,1,0,0,0|1,0,1]=4 16 B12R1.30 CC(NCC#C)c1ccccc1 CSC000216251 [1,0,1,0,0,0|0,0,0]=2 17 B12R1.30 CC(NCCO)c1ccccc1 CSC000224688 [1,0,1,0,0,0|1,0,1]=4 18 B12R1.30 CCCNC(C)c1ccccc1 CSC000187307 [1,0,1,0,0,0|0,0,2]=4 19 B12R1.30 C[C@@H](NCC=C)c1ccccc1 CSC011934170 [1,0,1,0,0,0|0,0,2]=4 20 B12R1.30 C[C@@H](NCCO)c1ccccc1 CSC000753783 [1,0,1,0,0,0|1,0,1]=4 21 B12R1.30 O=C(NCC#C)c1ccccc1 CSC000175919 [1,0,1,0,0,0|1,0,1]=4 22 B12R1.8 CCSCCCc1ccccc1 CSC000053059 [1,0,1,0,0,0|1,0,1]=4 23 B12R1.8 N#CCCCSc1ccccc1 CSC000172413 [1,0,1,0,0,0|2,0,0]=4 24 B12R1.8 N#CCCSCc1ccccc1 CSC000172150 [1,0,1,0,0,0|2,0,0]=4 25 B12R1.121 CCNCc1ccccc1OC CSC000186928 [1,0,1,0,0,0|1,0,1]=4 26 B12R1.121 CCc1ccccc1NCCO CSC011233141 [1,0,1,0,0,0|1,0,1]=4 27 B12R1.267 CCCNCc1ccccc1C CSC000196471 [1,0,1,0,0,0|0,0,2]=4 28 B12R1.267 Cc1ccccc1CNCCO CSC000200476 [1,0,1,0,0,0|1,0,1]=4 29 B14R1.21 CCC(NCCN)c1ccc(cc1)Br CSC011367411 [0,1,1,0,0,0|1,0,1]=4 30 B14R1.21 CCC(NCCN)c1ccc(cc1)Cl CSC011367395 [0,1,1,0,0,0|1,0,1]=4 31 B14R1.22 CCC(NCCN)c1cccc(c1)Br CSC011367616 [0,1,1,0,0,0|1,0,1]=4 32 B14R1.22 CCC(NCCN)c1cccc(c1)Cl CSC011367384 [0,1,1,0,0,0|1,0,1]=4 33 B14R1.604 CCC(N(C)CCN)c1ccccc1 CSC011728686 [0,1,1,0,0,0|1,0,1]=4 34 B14R1.604 CCC(N(C)CCO)c1ccccc1 CSC010273161 [0,1,1,0,0,0|1,0,1]=4 35 B14R1.123 CCCNCCNCc1ccccc1 CSC011556071 [0,1,1,0,0,0|0,0,2]=4 36 B14R1.904 CCCNCc1ccccc1OCC CSC000189076 [0,1,1,0,0,0|0,0,2]=4 37 B14R1.904 CCOc1ccccc1CNCCO CSC000189106 [0,1,1,0,0,0|1,0,1]=4 38 B16R2.767 CN(CCN)C1CCc2ccccc2C1 CSC011728774 [0,1,0,0,0,1|1,0,1]=4 39 B16R2.30336 CCCNC1CCc2cc(ccc2C1)Br CSC011889944 [0,1,0,0,0,1|0,0,2]=4 40 B16R2.30336 NCCNC1CCc2cc(ccc2C1)Br CSC011889953 [0,1,0,0,0,1|1,0,1]=4 41 B16R2.963 NCCNC1CCSc2c1cccc2F CSC011367624 [0,1,0,0,0,1|1,0,1]=4 42 B16R2.12192 CC1CCC(c2c1cccc2)NCCN CSC013009316 [0,1,0,0,0,1|1,0,1]=4 43 B16R2.32142 NCCNC1CCCc2c1cc(cc2)O CSC014378756 [0,1,0,0,0,1|1,0,1]=4 44 B16R2.32142 NCCNC1CCSc2c1cc(cc2)Cl CSC011367628 [0,1,0,0,0,1|1,0,1]=4 45 B16R2.32142 NCCNC1CCSc2c1cc(cc2)F CSC015072928 [0,1,0,0,0,1|1,0,1]=4 46 B16R2.160202 CN(CCN)C1CCCc2c1cccc2 CSC011728754 [0,1,0,0,0,1|1,0,1]=4 47 B16R2.179941 CC(C)CNC1CCOc2c1cccc2 CSC000202749 [0,1,0,0,0,1|0,0,2]=4 48 B16R2.179941 CC(C)CNC1CCSc2c1cccc2 CSC000202750 [0,1,0,0,0,1|0,0,2]=4 49 B16R2.4 CCC(CC)NC1CCc2c1cccc2 CSC011230927 [0,2,0,0,0,0|0,0,2]=4 50 B16R2.5 COCC(C)NC1CCc2c1cccc2 CSC000712959 [0,2,0,0,0,0|0,0,2]=4 51 B16R2.33556 CC(CO)NC1CC(c2c1cccc2)N CSC013273234 [0,2,0,0,0,0|1,0,1]=4 52 B16R2.33556 CCC(C)NC1CC(c2c1cccc2)N CSC013273224 [0,2,0,0,0,0|0,0,2]=4 53 B16R2.33556 C[C@H](CO)NC1CC(c2c1cccc2)N CSC056935762 [0,2,0,0,0,0|1,0,1]=4 54 B16R2.6 CCOCCNC1CCc2c1cccc2 CSC000714507 [0,2,0,0,0,0|0,0,2]=4 55 B16R2.14 CCC(C)CNC1CCc2c1cccc2 CSC011235040 [0,2,0,0,0,0|0,0,2]=4 56 B16R2.36 CC(=CCNC1CCc2c1cccc2)C CSC011200610 [0,2,0,0,0,0|0,0,2]=4 57 B16R2.37 NCCNC(=O)C1CCc2c1cccc2 CSC057340941 [0,2,0,0,0,0|1,0,1]=4 58 B16R2.37 O=C(NCC#N)C1CCc2c1nccc2 CSC061673421 [0,2,0,0,0,0|2,0,0]=4 59 B16R2.6329 COCCNC1CC(c2c1cccc2)N CSC013273223 [0,2,0,0,0,0|0,0,2]=4 60 B16R2.520 CC(N)CN(C)C1CCc2c1cccc2 CSC013883654 [0,2,0,0,0,0|0,0,2]=4 61 B16R2.520 CN(CC(=O)O)C1CCc2c1cccc2 CSC011201904 [0,2,0,0,0,0|1,0,1]=4 62 B16R2.2947 CC(C)(C)CNC1CCc2c1cccc2 CSC011425285 [0,2,0,0,0,0|0,0,2]=4 63 B16R2.2947 CC(C)(N)CNC1CCc2c1cccc2 CSC015072704 [0,2,0,0,0,0|0,0,2]=4 64 B16R2.104522 CC(C)CNC1CC(c2c1cccc2)N CSC013273225 [0,2,0,0,0,0|0,0,2]=4 65 B16R2.104522 CC(O)CNC1CC(c2c1cccc2)N CSC013273233 [0,2,0,0,0,0|0,0,2]=4 66 B16R2.104522 C[C@@H](O)CNC1CC(c2c1cccc2)N CSC014630752 [0,2,0,0,0,0|0,0,2]=4 67 B16R2.104522 C[C@H](O)CNC1CC(c2c1cccc2)N CSC014630901 [0,2,0,0,0,0|0,0,2]=4 68 B16R2.163638 COc1ccc2c(c1)C(CC2)NCCN CSC012557059 [0,2,0,0,0,0|1,0,1]=4 69 B14R2.1256 CCC(NC1CC1)c2ccccc2 CSC000712434 [0,0,1,1,0,0|0,0,2]=4 70 B14R2.7150 CCCN1CCCc2c1cccc2 CSC015264897 [0,0,1,1,0,0|0,0,2]=4 71 B14R2.112 NCCN1CCc2ccccc2C1 CSC000246800 [0,0,1,1,0,0|1,0,1]=4 72 B16R3.1817 C1CC1NC2CCCc3c2cccc3 CSC000737456 [0,0,0,1,0,1|0,0,2]=4 73 B16R2.164259 NCCNC1CCCCc2c1cccc2 CSC011367356 [0,0,0,0,0,2|1,0,1]=4