0 B16R2.55 CCSc1ccccc1c2ccc(s2)Br 271570a_200000040582_100010197418 [0,1,0,0,0,0|2,0,0]=3 1 B16R2.55 CCSc1ccccc1c2ccc(s2)Cl 271570a_100000708867_100000230856 [0,1,0,0,0,0|2,0,0]=3 2 B16R2.55 [N-]=[N+]=Nc1ccccc1c2ccc(s2)Cl 271570a_100000708867_100000762926 [0,1,0,0,0,0|2,0,1]=4 3 B16R2.611 CCSc1ccccc1c2sccc2Br 271570a_200000040582_100012361411 [0,1,0,0,0,0|2,0,0]=3 4 B16R2.2304 CCSc1ccccc1Sc2cccs2 62a_100000230856_100011215356 [0,0,0,0,0,1|2,0,0]=3 5 B16R2.2304 CCSc1ccccc1Sc2cccs2 62a_100011215356_100000230856 [0,0,0,0,0,1|2,0,0]=3 6 B17R2.2458 C=CCc1ccccc1Sc2ccc(s2)Br 62a_100009828059_100010197418 [0,1,0,0,0,1|1,0,1]=4 7 B17R2.2458 C=CCc1ccccc1Sc2ccc(s2)Br 62a_100010197418_100009828059 [0,1,0,0,0,1|1,0,1]=4 8 B17R2.2458 CCNc1ccccc1Sc2ccc(s2)Br 62a_100010197418_114873767003 [0,1,0,0,0,1|2,0,0]=4 9 B17R2.2458 CCNc1ccccc1Sc2ccc(s2)Br 62a_114873767003_100010197418 [0,1,0,0,0,1|2,0,0]=4 10 B17R2.2458 CCOc1ccccc1Sc2ccc(s2)Br 62a_100000230754_100010197418 [0,1,0,0,0,1|2,0,0]=4 11 B17R2.2458 CCOc1ccccc1Sc2ccc(s2)Br 62a_100010197418_100000230754 [0,1,0,0,0,1|2,0,0]=4 12 B17R2.2458 CCSc1ccccc1Sc2cc(cs2)C 62a_100000230856_100009876951 [0,1,0,0,0,1|2,0,0]=4 13 B17R2.2458 CCSc1ccccc1Sc2cc(cs2)C 62a_100009876951_100000230856 [0,1,0,0,0,1|2,0,0]=4 14 B17R2.2458 CCSc1ccccc1Sc2ccc(s2)Br 62a_100000230856_100010197418 [0,1,0,0,0,1|2,0,0]=4 15 B17R2.2458 CCSc1ccccc1Sc2ccc(s2)Br 62a_100010197418_100000230856 [0,1,0,0,0,1|2,0,0]=4 16 B17R2.2458 CCSc1ccccc1Sc2ccc(s2)C 62a_100000031368_100000230856 [0,1,0,0,0,1|2,0,0]=4 17 B17R2.2458 CCSc1ccccc1Sc2ccc(s2)C 62a_100000230856_100000031368 [0,1,0,0,0,1|2,0,0]=4 18 B17R2.2458 CSCc1ccccc1Sc2cc(cs2)C 62a_100000148299_100009876951 [0,1,0,0,0,1|1,0,0]=3 19 B17R2.2458 CSCc1ccccc1Sc2cc(cs2)C 62a_100009876951_100000148299 [0,1,0,0,0,1|1,0,0]=3 20 B17R2.2458 CSCc1ccccc1Sc2ccc(s2)Br 62a_100000148299_100010197418 [0,1,0,0,0,1|1,0,0]=3 21 B17R2.2458 CSCc1ccccc1Sc2ccc(s2)Br 62a_100010197418_100000148299 [0,1,0,0,0,1|1,0,0]=3 22 B17R2.2458 CSCc1ccccc1Sc2ccc(s2)C 62a_100000031368_100000148299 [0,1,0,0,0,1|1,0,0]=3 23 B17R2.2458 CSCc1ccccc1Sc2ccc(s2)C 62a_100000148299_100000031368 [0,1,0,0,0,1|1,0,0]=3 24 B17R2.3407 CCSCc1ccccc1Sc2cccs2 62a_100011215356_200000173030 [0,1,0,0,0,1|1,0,0]=3 25 B17R2.3407 CCSCc1ccccc1Sc2cccs2 62a_200000173030_100011215356 [0,1,0,0,0,1|1,0,0]=3 26 B17R2.5890 C=CCc1ccccc1Sc2sccc2Br 62a_100009828059_100012361411 [0,1,0,0,0,1|1,0,1]=4 27 B17R2.5890 C=CCc1ccccc1Sc2sccc2Br 62a_100012361411_100009828059 [0,1,0,0,0,1|1,0,1]=4 28 B17R2.5890 CCNc1ccccc1Sc2sccc2Br 62a_100012361411_114873767003 [0,1,0,0,0,1|2,0,0]=4 29 B17R2.5890 CCNc1ccccc1Sc2sccc2Br 62a_114873767003_100012361411 [0,1,0,0,0,1|2,0,0]=4 30 B17R2.5890 CCOc1ccccc1Sc2sccc2Br 62a_100000230754_100012361411 [0,1,0,0,0,1|2,0,0]=4 31 B17R2.5890 CCOc1ccccc1Sc2sccc2Br 62a_100012361411_100000230754 [0,1,0,0,0,1|2,0,0]=4 32 B17R2.5890 CCSc1ccccc1Sc2sccc2Br 62a_100000230856_100012361411 [0,1,0,0,0,1|2,0,0]=4 33 B17R2.5890 CCSc1ccccc1Sc2sccc2Br 62a_100012361411_100000230856 [0,1,0,0,0,1|2,0,0]=4 34 B17R2.5890 CCSc1ccccc1Sc2sccc2C 62a_100000230856_100010247149 [0,1,0,0,0,1|2,0,0]=4 35 B17R2.5890 CCSc1ccccc1Sc2sccc2C 62a_100010247149_100000230856 [0,1,0,0,0,1|2,0,0]=4 36 B17R2.5890 CSCc1ccccc1Sc2sccc2Br 62a_100000148299_100012361411 [0,1,0,0,0,1|1,0,0]=3 37 B17R2.5890 CSCc1ccccc1Sc2sccc2Br 62a_100012361411_100000148299 [0,1,0,0,0,1|1,0,0]=3 38 B17R2.5890 CSCc1ccccc1Sc2sccc2C 62a_100000148299_100010247149 [0,1,0,0,0,1|1,0,0]=3 39 B17R2.5890 CSCc1ccccc1Sc2sccc2C 62a_100010247149_100000148299 [0,1,0,0,0,1|1,0,0]=3 40 B17R2.181 CCSCc1ccccc1c2ccc(s2)Cl 271570a_100000708867_200000173030 [0,2,0,0,0,0|1,0,0]=3 41 B17R2.522 CCC(C)c1ccccc1c2cc(cs2)C 271570a_200160469096_100009876951 [0,2,0,0,0,0|1,0,0]=3 42 B17R2.522 CCC(C)c1ccccc1c2ccc(s2)Br 271570a_200160469096_100010197418 [0,2,0,0,0,0|1,0,0]=3 43 B17R2.522 CCC(C)c1ccccc1c2ccc(s2)C 271570a_200160469096_100000761539 [0,2,0,0,0,0|1,0,0]=3 44 B17R2.522 CCC(C)c1ccccc1c2nc(cs2)Br 271570a_200160469096_200016082925 [0,2,0,0,0,0|2,0,0]=4 45 B17R2.3239 CC(C)Cc1ccccc1c2ccc(s2)Br 271570a_200010047045_100010197418 [0,2,0,0,0,0|1,0,0]=3 46 B17R2.4285 C=CCc1ccccc1c2cc(c(s2)Cl)C 271570a_202125692827_100009828059 [0,2,0,0,0,0|1,0,1]=4 47 B17R2.4285 CCSc1ccccc1c2cc(c(s2)C)C 271570a_200000040582_100009850898 [0,2,0,0,0,0|2,0,0]=4 48 B17R2.4285 CCSc1ccccc1c2cc(c(s2)Cl)C 271570a_202125692827_100000230856 [0,2,0,0,0,0|2,0,0]=4 49 B17R2.4285 CSCc1ccccc1c2cc(c(s2)Cl)C 271570a_202125692827_100000148299 [0,2,0,0,0,0|1,0,0]=3 50 B17R2.4287 CCSc1ccccc1c2cc(cs2)CC 271570a_100009871738_100000230856 [0,2,0,0,0,0|2,0,0]=4 51 B17R2.4287 CCSc1ccccc1c2ccc(s2)CC 271570a_200000040582_100009844052 [0,2,0,0,0,0|2,0,0]=4 52 B17R2.4289 CCSc1ccccc1c2sc(cc2C)C 271570a_200000040582_100000689295 [0,2,0,0,0,0|2,0,0]=4 53 B17R2.5756 CCOc1cc(ccc1c2ccc(s2)Br)Br 271570a_200010295860_100010197418 [0,2,0,0,0,0|2,0,0]=4 54 B17R2.5756 CCOc1cc(ccc1c2ccc(s2)Br)Cl 271570a_100000041748_100010197418 [0,2,0,0,0,0|2,0,0]=4 55 B17R2.19308 CCOc1ccc(cc1c2ccc(s2)Br)Cl 271570a_100000043669_100010197418 [0,2,0,0,0,0|2,0,0]=4 56 B17R2.5624 CC(C)SCc1ccccc1c2cccs2 271570a_100000742291_200000173093 [0,2,0,0,0,0|1,0,0]=3 57 B17R2.5744 CCCSCc1ccccc1c2cccs2 271570a_100000742291_200000173363 [0,2,0,0,0,0|1,0,0]=3 58 B17R2.3540 CC(C)Cc1ccccc1c2sccc2Br 271570a_200010047045_100012361411 [0,2,0,0,0,0|1,0,0]=3 59 B17R2.5749 CCOc1cc(ccc1c2sccc2Br)Br 271570a_200010295860_100012361411 [0,2,0,0,0,0|2,0,0]=4 60 B17R2.5749 CCOc1cc(ccc1c2sccc2Br)Cl 271570a_100000041748_100012361411 [0,2,0,0,0,0|2,0,0]=4 61 B17R2.643 CCC(C)c1ccccc1c2sccc2Br 271570a_200160469096_100012361411 [0,2,0,0,0,0|1,0,0]=3 62 B17R2.643 CCC(C)c1ccccc1c2sccc2C 271570a_200160469096_100000742657 [0,2,0,0,0,0|1,0,0]=3 63 B17R2.4283 CCSc1ccccc1c2sccc2CC 271570a_200000040582_200009875468 [0,2,0,0,0,0|2,0,0]=4 64 B17R2.46905 CCOc1ccc(cc1c2sccc2Br)Cl 271570a_100000043669_100012361411 [0,2,0,0,0,0|2,0,0]=4 65 B17R3.2378 Brc1ccc(s1)c2ccccc2C3CC3 271570a_100010231911_100010197418 [0,1,0,1,0,0|1,0,0]=3 66 B17R3.2655 Brc1ccsc1c2ccccc2C3CC3 271570a_100010231911_100012361411 [0,1,0,1,0,0|1,0,0]=3