0 B9R1.6 CS(=O)c1ccccn1 ct006vp1fp4 [1,0,0,0,0,0|3,0,0]=4 1 B9R1.6 CS(=O)c1ccncc1 bio026 [1,0,0,0,0,0|3,0,0]=4 2 B9R1.8 c1ccc(cc1)C#N=O jmc047 [1,0,0,0,0,0|2,0,1]=4 3 B9R1.8 c1ccc(cc1)\C=N\N un308 [1,0,0,0,0,0|1,0,1]=3 4 B11R1.7 CC(C)(C#N)c1ccccn1 qe007vp1 [0,1,0,0,0,0|1,0,2]=4 5 B11R1.7 CC(C)(CN)c1ccccn1 qe007 [0,1,0,0,0,0|1,0,0]=2 6 B11R1.12 c1ccc(cc1)C(C#N)C#N un212vp1de15 [0,1,0,0,0,0|0,0,3]=4 7 B11R1.12 c1ccc(cc1)\C(=C\N)\C#N pw043 [0,1,0,0,0,0|0,0,3]=4 8 B11R1.36 CC(c1ccccc1)C(=O)N jmc043 [0,1,0,0,0,0|0,0,1]=2 9 B11R2.1 Cc1c[nH]c2c1cccn2 cin105vpfp4 [0,0,0,1,0,0|1,0,2]=4 10 B11R2.1 c1cncc2c1C(CO2)O f002fp5 [0,0,0,1,0,0|3,0,0]=4 11 B11R1.40 C=CC(Cc1ccccc1)O jmc125 [0,0,0,0,0,1|2,0,1]=4 12 B8R1.2 c1cc(cnc1)CI cic018 [2,0,0,0,0,0|2,0,0]=4 13 B8R1.2 c1ccc(cc1)CI a245 [2,0,0,0,0,0|1,0,0]=3 14 B10R1.13 CC(C)c1c[nH]c(=O)nc1 ct360de2lit7 [1,1,0,0,0,0|2,0,0]=4 15 B10R1.13 Cc1ccc(cn1)N(C)C ct051vp1fp2de7 [1,1,0,0,0,0|2,0,0]=4 16 B10R1.61 CN(C)c1c(cccn1)O cdp005fp1 [1,1,0,0,0,0|2,0,0]=4 17 B10R1.61 Cc1ccncc1N(C)C ct051vp1fp2de1 [1,1,0,0,0,0|2,0,0]=4 18 B10R1.113 CN(C)c1cc(ccn1)Br cdp131fp22 [1,1,0,0,0,0|2,0,0]=4 19 B10R1.113 CN(C)c1ccc[n+](c1)[O-] cdp027vp2fp7 [1,1,0,0,0,0|2,0,0]=4 20 B10R1.113 CN(C)c1ccnc(c1)Cl cdp112fp7 [1,1,0,0,0,0|2,0,0]=4 21 B10R1.113 CN(C)c1ccnc(c1)N cdp104fp50 [1,1,0,0,0,0|2,0,0]=4 22 B10R1.113 Cc1cc(cnc1)N(C)C ct051vp1fp2de12a [1,1,0,0,0,0|2,0,0]=4 23 B10R1.1 CCCc1ccc(cn1)O cdp254de6 [1,1,0,0,0,0|2,0,0]=4 24 B10R1.1 Cc1ccc(cc1)\C=N\N un316 [1,1,0,0,0,0|1,0,1]=4 25 B10R1.1 c1cc(ccc1\C=N\N)Br un311 [1,1,0,0,0,0|1,0,1]=4 26 B10R1.1 c1cc(ccc1\C=N\N)Cl un312 [1,1,0,0,0,0|1,0,1]=4 27 B10R1.1 c1cc(ccc1\C=N\N)F un310 [1,1,0,0,0,0|1,0,1]=4 28 B10R1.1 c1cc(ccc1\C=N\N)N un314 [1,1,0,0,0,0|1,0,1]=4 29 B10R1.1 c1cc(ccc1\C=N\N)O un315 [1,1,0,0,0,0|1,0,1]=4 30 B10R1.4 CCCc1ccncc1O cdp254de8 [1,1,0,0,0,0|2,0,0]=4 31 B10R1.10 CCCc1ccnc(c1)N a177 [1,1,0,0,0,0|2,0,0]=4 32 B10R1.10 Cc1cccc(c1)\C=N\N un309 [1,1,0,0,0,0|1,0,1]=4 33 B10R1.10 c1cc(cc(c1)Br)\C=N\N un317 [1,1,0,0,0,0|1,0,1]=4 34 B10R1.10 c1cc(cc(c1)Cl)\C=N\N un318 [1,1,0,0,0,0|1,0,1]=4 35 B10R1.10 c1cc(cc(c1)N)\C=N\N un319 [1,1,0,0,0,0|1,0,1]=4 36 B10R1.10 c1cc(cc(c1)O)\C=N\N un321 [1,1,0,0,0,0|1,0,1]=4 37 B10R1.17 CN\N=C\c1ccccc1 jmc010 [1,1,0,0,0,0|1,0,1]=4 38 B10R1.17 c1cc(cnc1)CCCCl tv003vp1 [1,1,0,0,0,0|2,0,0]=4 39 B10R1.17 c1cc(cnc1)CCCN tv003 [1,1,0,0,0,0|1,0,0]=3 40 B10R1.17 c1ccc(cc1)C\C=N\O ab004 [1,1,0,0,0,0|0,0,2]=4 41 B10R1.17 c1cnccc1CCCCl tv004vp1 [1,1,0,0,0,0|2,0,0]=4 42 B10R1.17 c1cnccc1CCCN tv004 [1,1,0,0,0,0|1,0,0]=3 43 B12R1.9 Cc1ccc(nc1)C(C)(C)CN qe007vp1de2fp1 [0,2,0,0,0,0|1,0,0]=3 44 B12R1.10 Cc1cccc(n1)C(C)(C)CN qe007vp1de1fp1 [0,2,0,0,0,0|1,0,0]=3 45 B12R1.10 Cc1ccnc(c1)C(C)(C)CN qe007vp1de3fp1 [0,2,0,0,0,0|1,0,0]=3 46 B12R1.195 Cc1cccnc1C(C)(C)CN qe007vp1de4fp1 [0,2,0,0,0,0|1,0,0]=3 47 B12R1.3 c1ccc(cc1)C(CC=O)C#N a142de5 [0,2,0,0,0,0|0,0,2]=4 48 B12R1.12 c1cc(ccc1N(CCl)CCl)O jmc044 [0,2,0,0,0,0|2,0,0]=4 49 B12R2.32 c1ccc2c(c1)CC(N2)CI cic016 [0,0,0,1,0,1|1,0,0]=3 50 B12R2.1 c1ccc2c(c1)C(CO2)CI cic043 [0,1,0,1,0,0|1,0,0]=3 51 B12R2.132 c1cc2c(cc1Cl)C(CO2)O rp211de25lit5 [0,1,0,1,0,0|2,0,0]=4