0 B18R2.6478 Cc1cccc(c1)OC(=O)Cc2ccccc2 TS52349 [0,0,0,0,0,0|4,0,0]=4 1 B18R2.6478 c1ccc(cc1)NC(=O)Nc2ccnc(c2)Cl TS62492 [0,0,0,0,0,0|2,1,0]=3 2 B17R2.143 c1cc(cnc1)NC(=O)Nc2cccnc2 TS44505 [1,0,0,0,0,0|1,0,0]=2 3 B17R2.143 c1ccc(cc1)CC(=O)Cc2ccccc2 TS43834 [1,0,0,0,0,0|3,0,0]=4 4 B17R2.143 c1ccc(cc1)CC(=O)Nc2ccccc2 TS44023 [1,0,0,0,0,0|2,0,0]=3 5 B17R2.143 c1ccc(cc1)CC(=O)Oc2ccccc2 TS21331 [1,0,0,0,0,0|3,0,0]=4 6 B17R2.143 c1ccc(cc1)NC(=N)Nc2ccccc2 TS44030 [1,0,0,0,0,0|2,0,0]=3 7 B17R2.143 c1ccc(cc1)NC(=N)Nc2ccccc2 TS67086 [1,0,0,0,0,0|2,0,0]=3 8 B17R2.143 c1ccc(cc1)NC(=N)Nc2ccccc2 TS72909 [1,0,0,0,0,0|2,0,0]=3 9 B17R2.143 c1ccc(cc1)NC(=O)Nc2ccccc2 TS44195 [1,0,0,0,0,0|1,0,0]=2 10 B17R2.143 c1ccc(cc1)NC(=S)Nc2ccccc2 TS24576 [1,0,0,0,0,0|1,1,0]=3 11 B17R2.143 c1ccc(cc1)NC(=S)Nc2ccccn2 TS24753 [1,0,0,0,0,0|2,1,0]=4 12 B17R2.143 c1ccc(cc1)OC(=O)Oc2ccccc2 TS21650 [1,0,0,0,0,0|3,0,0]=4 13 B19R2.281 c1ccc(cc1)CC(=O)Nc2ccc(c(c2)Cl)Cl TS34177 [0,1,0,0,0,0|2,1,0]=4 14 B17R2.5273 Cc1cccc(c1)C(=O)Nc2ccccc2 TS44027 [0,0,0,0,1,0|2,0,0]=3 15 B17R2.5273 c1ccc(cc1)CC(=O)c2cccc(c2)F TS44508 [0,0,0,0,1,0|2,0,0]=3 16 B17R2.5273 c1ccc(cc1)OC(=O)c2cccc(c2)O TS21646 [0,0,0,0,1,0|3,0,0]=4 17 B17R2.5293 c1ccc(cc1)C(=O)Cc2cccc(c2)F TS21664 [0,0,0,0,1,0|2,0,0]=3 18 B17R2.5293 c1ccc(cc1)C(=O)Oc2cccc(c2)O TS21651 [0,0,0,0,1,0|3,0,0]=4 19 B16R2.2256 c1ccc(cc1)NC=Nc2ccccc2 TS18297 [2,0,0,0,0,0|1,0,1]=4 20 B18R2.266 c1ccc(cc1)NC(=O)Cc2ccc(cc2)O TS52514 [1,1,0,0,0,0|2,0,0]=4 21 B18R2.266 c1ccc(cc1)NC(=S)Nc2ccc(cc2)Cl TS68665 [1,1,0,0,0,0|1,1,0]=4 22 B18R2.3983 c1ccc(cc1)NC(=S)Nc2ccccc2Cl TS68666 [1,1,0,0,0,0|1,1,0]=4 23 B18R2.7204 c1ccc(cc1)NC(=S)N(c2ccccc2)N TS27042 [1,1,0,0,0,0|1,1,0]=4 24 B18R2.6477 c1cc(cc(c1)N)C(=O)Nc2cccc(c2)Cl TS62371 [0,1,0,0,1,0|2,0,0]=4 25 B18R2.6536 c1ccc(cc1)NC(=O)c2cc(ccc2O)Cl TS62490 [0,1,0,0,1,0|1,1,0]=4 26 B18R2.6539 Cc1ccc(c(c1)NC(=O)c2ccccc2)Cl TS62224 [0,1,0,0,1,0|2,0,0]=4 27 B20R2.235939 c1cc(ccc1NC(=O)Nc2ccc(c(c2)Cl)Cl)Cl TS61238 [0,2,0,0,0,0|1,1,0]=4 28 B18R3.182 c1ccc(cc1)C2c3ccccc3NC2=O TS43657 [1,0,0,1,0,0|2,0,0]=4 29 B18R3.182 c1ccc(cc1)N2c3ccccc3CC2=O TS59340 [1,0,0,1,0,0|2,0,0]=4 30 B18R3.12875 c1ccc(cc1)Nc2[nH]c3ccccc3n2 TS20761 [1,0,0,1,0,0|2,0,0]=4 31 B18R3.12875 c1ccc(cc1)Nc2nc3c(o2)cccn3 TS43993 [1,0,0,1,0,0|2,0,0]=4 32 B16R2.88 c1ccc(cc1)C(=N)Nc2ccccc2 TS18289 [1,0,0,0,1,0|2,0,0]=4 33 B16R2.88 c1ccc(cc1)C(=O)Nc2ccccc2 TS53870 [1,0,0,0,1,0|1,0,0]=3 34 B16R2.88 c1ccc(cc1)C(=O)Nc2ccncc2 TS18625 [1,0,0,0,1,0|2,0,0]=4 35 B16R2.88 c1ccc(cc1)C(=O)Oc2ccccc2 TS18613 [1,0,0,0,1,0|2,0,0]=4 36 B16R2.88 c1ccc(cc1)C(=S)Nc2ccccc2 TS44382 [1,0,0,0,1,0|1,1,0]=4 37 B16R2.88 c1ccc(cc1)CC(=O)c2ccccc2 TS18287 [1,0,0,0,1,0|2,0,0]=4 38 B16R2.88 c1ccc(cc1)CC(=O)c2cccnc2 TS85356 [1,0,0,0,1,0|1,0,0]=3 39 B16R2.88 c1ccc(cc1)NC(=O)c2cccnc2 TS18629 [1,0,0,0,1,0|0,0,0]=2 40 B16R2.88 c1ccc(cc1)NC(=O)c2cccnc2 TS25653 [1,0,0,0,1,0|0,0,0]=2 41 B16R2.88 c1ccc(cc1)NC(=O)c2ccncc2 TS18634 [1,0,0,0,1,0|2,0,0]=4 42 B16R2.88 c1ccc(cc1)OC(=O)c2cccnc2 TS18804 [1,0,0,0,1,0|1,0,0]=3 43 B16R2.88 c1ccc(cc1)SC(=O)c2cnccn2 TS22072 [1,0,0,0,1,0|2,0,0]=4 44 B16R2.524 c1ccc(cc1)NC(=O)Nc2cnns2 TS23093 [1,0,0,0,1,0|2,0,0]=4 45 B16R2.524 c1ccc(cc1)NC(=S)Nc2nccs2 TS56697 [1,0,0,0,1,0|1,1,0]=4 46 B16R2.253 Cc1cccc(c1)NC(=O)c2cccs2 TS49297 [0,0,0,0,2,0|2,0,0]=4 47 B16R2.253 c1cc(cc(c1)F)NC(=O)c2cccs2 TS49954 [0,0,0,0,2,0|1,0,0]=3 48 B16R2.236 Cc1cccc(c1)C(=O)c2ccccc2 TS18282 [0,0,0,0,2,0|2,0,0]=4 49 B16R2.236 c1ccc(cc1)C(=O)c2cccc(c2)Br TS09483 [0,0,0,0,2,0|1,1,0]=4 50 B16R2.236 c1ccc(cc1)C(=O)c2cccc(c2)Cl TS22144 [0,0,0,0,2,0|1,1,0]=4 51 B16R2.236 c1ccc(cc1)C(=O)c2cccc(c2)F TS18993 [0,0,0,0,2,0|1,0,0]=3 52 B16R2.236 c1ccc(cc1)C(=O)c2cccc(c2)N TS53851 [0,0,0,0,2,0|2,0,0]=4 53 B16R2.236 c1ccc(cc1)C(=O)c2cccc(c2)O TS54016 [0,0,0,0,2,0|2,0,0]=4 54 B18R2.2429 c1ccc(cc1)CNC(=S)Nc2ccccc2 TS26896 [1,0,0,0,0,1|1,1,0]=4 55 B18R2.2429 c1ccc(cc1)NC(=O)NNc2ccccc2 TS52519 [1,0,0,0,0,1|1,0,0]=3 56 B18R2.2429 c1ccc(cc1)NC(=S)NNc2ccccc2 TS27041 [1,0,0,0,0,1|1,1,0]=4 57 B18R2.2429 c1ccc(cc1)NCC(=O)Nc2ccccc2 TS24212 [1,0,0,0,0,1|1,0,0]=3