0 B15R3.3 C1CNCC2=C1C3C=CC=CC3=N2 AB05563 [0,0,0,0,0,0|2,0,2]=4 1 B15R3.3 C1CNCC2=C1N=C3C2C=CC=C3 AB06219 [0,0,0,0,0,0|0,0,2]=2 2 B15R3.3 C1COCC2=C1N=C3C2C=CC=C3 AB26254 [0,0,0,0,0,0|1,0,2]=3 3 B16R3.2583 C1CNCC2=C1N=C3C2=CC(=CC3)Br AB12746 [0,1,0,0,0,0|0,0,2]=3 4 B16R3.2583 C1CNCC2=C1N=C3C2=CC(=CC3)Cl AB12745 [0,1,0,0,0,0|0,0,2]=3 5 B16R3.2583 C1CNCC2=C1N=C3C2=CC(=CC3)F AB05906 [0,1,0,0,0,0|0,0,2]=3 6 B16R3.2583 CC1=CC2C3=C(CCNC3)N=C2C=C1 AB21872 [0,1,0,0,0,0|0,0,2]=3 7 B14R2.6 c1ccc(cc1)CC2CCNCC2 AB00568 [0,0,1,0,0,0|1,0,2]=4 8 B14R2.6 c1ccc(cc1)OC2CCNCC2 AB12549 [0,0,1,0,0,0|1,0,2]=4 9 B14R2.6 c1ccc(cc1)SC2CCNCC2 AB19364 [0,0,1,0,0,0|1,0,2]=4 10 B14R2.24 CN1CCNCC1c2ccccc2 AB28402 [0,0,1,0,0,0|2,0,1]=4 11 B14R2.24 Cc1ccccc1C2CNCCN2 AB36186 [0,0,1,0,0,0|2,0,1]=4 12 B14R2.24 Cc1ccccc1[C@@H]2CNCCN2 AB36188 [0,0,1,0,0,0|2,0,1]=4 13 B14R2.24 Cc1ccccc1[C@H]2CNCCN2 AB36187 [0,0,1,0,0,0|2,0,1]=4 14 B14R2.24 c1ccc(c(c1)C2CNCCN2)Br AB36253 [0,0,1,0,0,0|2,0,1]=4 15 B14R2.24 c1ccc(c(c1)C2CNCCN2)Cl AB07228 [0,0,1,0,0,0|2,0,1]=4 16 B14R2.24 c1ccc(c(c1)C2CNCCN2)F AB36220 [0,0,1,0,0,0|2,0,1]=4 17 B14R2.24 c1ccc(c(c1)C2CNCCO2)Cl AB54611 [0,0,1,0,0,0|2,0,1]=4 18 B14R2.24 c1ccc(c(c1)C2CNCCO2)F AB54606 [0,0,1,0,0,0|2,0,1]=4 19 B14R2.24 c1ccc(c(c1)[C@@H]2CNCCN2)Br AB36260 [0,0,1,0,0,0|2,0,1]=4 20 B14R2.24 c1ccc(c(c1)[C@@H]2CNCCN2)Cl AB36240 [0,0,1,0,0,0|2,0,1]=4 21 B14R2.24 c1ccc(c(c1)[C@@H]2CNCCN2)F AB36227 [0,0,1,0,0,0|2,0,1]=4 22 B14R2.24 c1ccc(c(c1)[C@H]2CNCCN2)Br AB36257 [0,0,1,0,0,0|2,0,1]=4 23 B14R2.24 c1ccc(c(c1)[C@H]2CNCCN2)Cl AB36238 [0,0,1,0,0,0|2,0,1]=4 24 B14R2.24 c1ccc(c(c1)[C@H]2CNCCN2)F AB36224 [0,0,1,0,0,0|2,0,1]=4 25 B14R2.44 Cn1c2ccccc2nc1CCN AB09978 [0,0,1,0,0,0|1,0,1]=3 26 B14R2.67 CNCCC1=NC2=C(=N1)C=CC=C2 AB49652 [0,0,1,0,0,0|1,0,2]=4 27 B14R2.517 Cc1c(c2ccccc2s1)CC#N AB16604 [0,0,1,0,0,0|3,0,0]=4 28 B13R2.1 CNCC1=c2ccccc2=NC1 AB12966 [1,0,1,0,0,0|0,0,2]=4 29 B13R2.1 CNCc1cnc2n1cccc2 AB28987 [1,0,1,0,0,0|1,0,1]=4 30 B13R2.3 c1ccc(cc1)C2=CCOCC2 PB15368 [1,0,1,0,0,0|2,0,0]=4 31 B13R2.3 c1ccc(cc1)C2CCCNC2 AB07314 [1,0,1,0,0,0|0,0,2]=4 32 B13R2.3 c1ccc(cc1)C2CNCCN2 AB10478 [1,0,1,0,0,0|1,0,1]=4 33 B13R2.3 c1ccc(cc1)C2CNCCO2 AB09828 [1,0,1,0,0,0|1,0,1]=4 34 B13R2.3 c1ccc(cc1)[C@@H]2CCCNC2 AB16327 [1,0,1,0,0,0|0,0,2]=4 35 B13R2.3 c1ccc(cc1)[C@@H]2CNCCN2 AB31252 [1,0,1,0,0,0|1,0,1]=4 36 B13R2.3 c1ccc(cc1)[C@H]2CCCNC2 AB16326 [1,0,1,0,0,0|0,0,2]=4 37 B13R2.3 c1ccc(cc1)[C@H]2CNCCN2 AB31256 [1,0,1,0,0,0|1,0,1]=4 38 B13R2.26 CNCc1cn2ccccc2n1 AB15864 [1,0,1,0,0,0|1,0,1]=4 39 B13R2.26 CNCc1nc2ccccc2s1 AB28230 [1,0,1,0,0,0|1,0,1]=4 40 B13R2.26 c1ccc2c(c1)nc(s2)CCN AB02774 [1,0,1,0,0,0|1,0,1]=4 41 B13R2.26 c1ccn2cc(nc2c1)CCN AB28183 [1,0,1,0,0,0|1,0,1]=4 42 B13R2.45 Cn1c2ccccc2nc1CN AB06071 [1,0,1,0,0,0|1,0,1]=4 43 B13R2.135 Cc1c(c2ccccc2s1)CCl AB16608 [1,0,1,0,0,0|2,0,0]=4 44 B13R2.135 Cc1c(n2ccccc2n1)CN AB28985 [1,0,1,0,0,0|1,0,1]=4 45 B13R2.135 c1ccc2c(c1)C(C(=O)N2)CN AB28484 [1,0,1,0,0,0|1,0,1]=4 46 B15R2.31 c1cc(cc(c1)F)NC2CCNCC2 AB51322 [0,1,1,0,0,0|0,0,2]=4 47 B15R2.38 c1ccc(cc1)CN2CCNCC2=O AB17107 [0,1,1,0,0,0|2,0,0]=4 48 B17R3.1513 COC1=CC2C3=C(CCNC3)N=C2C=C1 AB21869 [0,2,0,0,0,0|0,0,2]=4 49 B17R3.31713 Cn1c2ccc(cc2c3c1CCNC3)Br MB19837 [0,2,0,0,0,0|0,0,0]=2 50 B17R3.31713 Cn1c2ccc(cc2c3c1CCNC3)Cl MB19833 [0,2,0,0,0,0|0,0,0]=2 51 B17R3.4408 Cn1c2ccccc2c3c1CCCC3=O AB04362 [0,2,0,0,0,0|1,0,1]=4 52 B13R2.15 c1ccc(cc1)[C@@H]2CNC[C@H]2N AB60630 [0,0,1,0,1,0|0,0,2]=4 53 B13R2.18 c1ccc(c(c1)C2CCNC2)Cl AB25453 [0,0,1,0,1,0|1,0,1]=4 54 B13R2.18 c1ccc(c(c1)C2CCNC2)F AB28416 [0,0,1,0,1,0|1,0,1]=4 55 B13R2.67 c1ccc2c(c1)CCCCCN2 AB65827 [0,0,1,0,1,0|0,0,2]=4