smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(N2CCC(C)CC2)[nH+]c2ccccc12 ZINC000000191186 132313214 /nfs/dbraw/zinc/31/32/14/132313214.db2.gz KDJVHEQIWCGYPH-UHFFFAOYSA-N 1 2 240.350 3.780 20 0 BHADLO Cc1cc(NCc2cccnc2)[nH+]c2ccccc12 ZINC000000256769 178175723 /nfs/dbraw/zinc/17/57/23/178175723.db2.gz DFWOSVRQCZIGRM-UHFFFAOYSA-N 1 2 249.317 3.550 20 0 BHADLO Cc1ccc(CNc2ccc([NH+](C)C)cc2)s1 ZINC000000516884 632664494 /nfs/dbraw/zinc/66/44/94/632664494.db2.gz HIQLQDWGFGQNGP-UHFFFAOYSA-N 1 2 246.379 3.735 20 0 BHADLO Cc1ccc(CNc2ccc([NH+](C)C)cc2)cc1 ZINC000000570723 178638480 /nfs/dbraw/zinc/63/84/80/178638480.db2.gz DUYMTDWWDYOSLL-UHFFFAOYSA-N 1 2 240.350 3.673 20 0 BHADLO C[NH+](C)c1ccc(NCc2ccc(F)cc2)cc1 ZINC000000572236 642793921 /nfs/dbraw/zinc/79/39/21/642793921.db2.gz UGCQYSMXRYEHHP-UHFFFAOYSA-N 1 2 244.313 3.504 20 0 BHADLO CCOc1ccc([NH2+]C2CCCCC2)cc1 ZINC000001845756 587724270 /nfs/dbraw/zinc/72/42/70/587724270.db2.gz MNXAOJGEPQJONJ-UHFFFAOYSA-N 1 2 219.328 3.830 20 0 BHADLO Cc1cc2[nH+]cn(CCC(C)C)c2cc1C ZINC000010382435 178305175 /nfs/dbraw/zinc/30/51/75/178305175.db2.gz GHKWIODBNHVJLN-UHFFFAOYSA-N 1 2 216.328 3.699 20 0 BHADLO Cc1c2ccccc2[nH+]c2c1CCC[C@@H]2C ZINC000013208825 371024448 /nfs/dbraw/zinc/02/44/48/371024448.db2.gz UWPNYSMGTQJNKH-JTQLQIEISA-N 1 2 211.308 3.983 20 0 BHADLO Cc1c2ccccc2[nH+]c2c1CCC[C@H]2C ZINC000013208826 371024565 /nfs/dbraw/zinc/02/45/65/371024565.db2.gz UWPNYSMGTQJNKH-SNVBAGLBSA-N 1 2 211.308 3.983 20 0 BHADLO COc1ccc([NH2+]C2CCC(C)CC2)cc1 ZINC000019772154 175149540 /nfs/dbraw/zinc/14/95/40/175149540.db2.gz DOEJUXXHKWCDPY-UHFFFAOYSA-N 1 2 219.328 3.686 20 0 BHADLO C/C(=C\c1ccccc1)CNc1cccc[nH+]1 ZINC000019777240 356686233 /nfs/dbraw/zinc/68/62/33/356686233.db2.gz ZITUSMHQDYZRKC-ACCUITESSA-N 1 2 224.307 3.597 20 0 BHADLO CCOc1ccc([NH2+]CCc2ccccc2)cc1 ZINC000019902189 590040461 /nfs/dbraw/zinc/04/04/61/590040461.db2.gz ADYWCJBFJPOEHU-UHFFFAOYSA-N 1 2 241.334 3.740 20 0 BHADLO COc1ccc([NH2+]C2CCC(C)CC2)c(OC)c1 ZINC000019903335 175149570 /nfs/dbraw/zinc/14/95/70/175149570.db2.gz JUMKFLGVNHGGDP-UHFFFAOYSA-N 1 2 249.354 3.694 20 0 BHADLO COc1ccc([NH2+]C2CCCCCC2)c(OC)c1 ZINC000019903336 175149707 /nfs/dbraw/zinc/14/97/07/175149707.db2.gz FIJUIXYDQWGBCE-UHFFFAOYSA-N 1 2 249.354 3.839 20 0 BHADLO COc1ccc([NH2+][C@@H]2CCCC[C@@H]2C)c(OC)c1 ZINC000019903344 175154236 /nfs/dbraw/zinc/15/42/36/175154236.db2.gz FWECVSLBYJUBJA-WCQYABFASA-N 1 2 249.354 3.694 20 0 BHADLO COc1ccc([NH2+][C@H]2CCCC[C@@H]2C)c(OC)c1 ZINC000019903345 175155719 /nfs/dbraw/zinc/15/57/19/175155719.db2.gz FWECVSLBYJUBJA-AAEUAGOBSA-N 1 2 249.354 3.694 20 0 BHADLO COc1ccc([NH2+][C@@H]2CCCC[C@H]2C)c(OC)c1 ZINC000019903346 175154024 /nfs/dbraw/zinc/15/40/24/175154024.db2.gz FWECVSLBYJUBJA-DGCLKSJQSA-N 1 2 249.354 3.694 20 0 BHADLO COc1ccc([NH2+][C@H]2CCCC[C@H]2C)c(OC)c1 ZINC000019903347 175155752 /nfs/dbraw/zinc/15/57/52/175155752.db2.gz FWECVSLBYJUBJA-YPMHNXCESA-N 1 2 249.354 3.694 20 0 BHADLO COc1ccc([NH2+][C@@H]2CCC[C@@H](C)C2)c(OC)c1 ZINC000019903348 175154113 /nfs/dbraw/zinc/15/41/13/175154113.db2.gz ZGJMYTCSMMFWFR-VXGBXAGGSA-N 1 2 249.354 3.694 20 0 BHADLO COc1ccc([NH2+][C@H]2CCC[C@@H](C)C2)c(OC)c1 ZINC000019903349 175155348 /nfs/dbraw/zinc/15/53/48/175155348.db2.gz ZGJMYTCSMMFWFR-NEPJUHHUSA-N 1 2 249.354 3.694 20 0 BHADLO COc1ccc([NH2+][C@@H]2CCC[C@H](C)C2)c(OC)c1 ZINC000019903350 175154278 /nfs/dbraw/zinc/15/42/78/175154278.db2.gz ZGJMYTCSMMFWFR-NWDGAFQWSA-N 1 2 249.354 3.694 20 0 BHADLO COc1ccc([NH2+][C@H]2CCC[C@H](C)C2)c(OC)c1 ZINC000019903351 175155548 /nfs/dbraw/zinc/15/55/48/175155548.db2.gz ZGJMYTCSMMFWFR-RYUDHWBXSA-N 1 2 249.354 3.694 20 0 BHADLO CCC(CC)C[NH2+]c1ccc(OC)cc1OC ZINC000019903362 168365835 /nfs/dbraw/zinc/36/58/35/168365835.db2.gz ALQXUVTYMNXLHD-UHFFFAOYSA-N 1 2 237.343 3.552 20 0 BHADLO COc1ccc([NH2+][C@@H](C)CC(C)C)c(OC)c1 ZINC000019903393 175153480 /nfs/dbraw/zinc/15/34/80/175153480.db2.gz ZNSOARYMYMSINN-NSHDSACASA-N 1 2 237.343 3.550 20 0 BHADLO COc1ccc([NH2+][C@H](C)CC(C)C)c(OC)c1 ZINC000019903394 175154471 /nfs/dbraw/zinc/15/44/71/175154471.db2.gz ZNSOARYMYMSINN-LLVKDONJSA-N 1 2 237.343 3.550 20 0 BHADLO CCC(CC)C[NH2+]c1ccc2c(c1)OCCCO2 ZINC000019906097 168365880 /nfs/dbraw/zinc/36/58/80/168365880.db2.gz PRVBGWBDJMQWBJ-UHFFFAOYSA-N 1 2 249.354 3.696 20 0 BHADLO CCC(CC)C[NH2+]c1ccc(OC)c(OC)c1 ZINC000019908533 168365774 /nfs/dbraw/zinc/36/57/74/168365774.db2.gz CBGDAEOGFSXOKV-UHFFFAOYSA-N 1 2 237.343 3.552 20 0 BHADLO CCCC[NH2+]c1cc(Cl)c(OC)cc1OC ZINC000019910932 168877951 /nfs/dbraw/zinc/87/79/51/168877951.db2.gz NEKPVQNCHKENDH-UHFFFAOYSA-N 1 2 243.734 3.569 20 0 BHADLO COc1ccc([NH2+][C@@H]2CCC[C@@H](C)C2)cc1 ZINC000019964710 175154057 /nfs/dbraw/zinc/15/40/57/175154057.db2.gz RGGLWWFGUJKAIO-DGCLKSJQSA-N 1 2 219.328 3.686 20 0 BHADLO COc1ccc([NH2+][C@H]2CCC[C@@H](C)C2)cc1 ZINC000019964711 175155291 /nfs/dbraw/zinc/15/52/91/175155291.db2.gz RGGLWWFGUJKAIO-YPMHNXCESA-N 1 2 219.328 3.686 20 0 BHADLO COc1ccc([NH2+][C@@H]2CCC[C@H](C)C2)cc1 ZINC000019964712 175153783 /nfs/dbraw/zinc/15/37/83/175153783.db2.gz RGGLWWFGUJKAIO-WCQYABFASA-N 1 2 219.328 3.686 20 0 BHADLO COc1ccc([NH2+][C@H]2CCC[C@H](C)C2)cc1 ZINC000019964713 175155288 /nfs/dbraw/zinc/15/52/88/175155288.db2.gz RGGLWWFGUJKAIO-AAEUAGOBSA-N 1 2 219.328 3.686 20 0 BHADLO CCC(CC)[NH2+]c1ccc(OC(F)F)cc1 ZINC000019979574 590061667 /nfs/dbraw/zinc/06/16/67/590061667.db2.gz KLRGEUHCCRMCHF-UHFFFAOYSA-N 1 2 229.270 3.889 20 0 BHADLO CCC[C@@H](C)C[NH2+]c1ccc(OC)cc1OC ZINC000019999449 169360937 /nfs/dbraw/zinc/36/09/37/169360937.db2.gz WOSSLBZQHPAFQB-LLVKDONJSA-N 1 2 237.343 3.552 20 0 BHADLO CCC[C@H](C)C[NH2+]c1ccc(OC)cc1OC ZINC000019999451 590065522 /nfs/dbraw/zinc/06/55/22/590065522.db2.gz WOSSLBZQHPAFQB-NSHDSACASA-N 1 2 237.343 3.552 20 0 BHADLO CCCCC[NH2+]c1ccc(OCC)cc1 ZINC000020040265 342967129 /nfs/dbraw/zinc/96/71/29/342967129.db2.gz BKHMYYDXCDINJU-UHFFFAOYSA-N 1 2 207.317 3.687 20 0 BHADLO CCC[C@@H](C)C[NH2+]c1ccc(OC)c(OC)c1 ZINC000020088379 169360991 /nfs/dbraw/zinc/36/09/91/169360991.db2.gz YGUXNNOSKPLFCL-LLVKDONJSA-N 1 2 237.343 3.552 20 0 BHADLO CCC[C@H](C)C[NH2+]c1ccc(OC)c(OC)c1 ZINC000020088381 590073097 /nfs/dbraw/zinc/07/30/97/590073097.db2.gz YGUXNNOSKPLFCL-NSHDSACASA-N 1 2 237.343 3.552 20 0 BHADLO FC(F)Oc1ccc([NH2+]C2CCCC2)cc1 ZINC000020096022 590073651 /nfs/dbraw/zinc/07/36/51/590073651.db2.gz KHQCJQGUJBOYRT-UHFFFAOYSA-N 1 2 227.254 3.643 20 0 BHADLO CC(C)[C@@H](C)[NH2+]c1ccc(OC(F)F)cc1 ZINC000020096140 590073988 /nfs/dbraw/zinc/07/39/88/590073988.db2.gz LPEUMZUVKNSDTD-SECBINFHSA-N 1 2 229.270 3.744 20 0 BHADLO CC(C)[C@H](C)[NH2+]c1ccc(OC(F)F)cc1 ZINC000020096142 590073882 /nfs/dbraw/zinc/07/38/82/590073882.db2.gz LPEUMZUVKNSDTD-VIFPVBQESA-N 1 2 229.270 3.744 20 0 BHADLO CCCCCC[NH2+]c1ccc(OC)cc1 ZINC000020358997 342983637 /nfs/dbraw/zinc/98/36/37/342983637.db2.gz SZMWGXHQUQJAGU-UHFFFAOYSA-N 1 2 207.317 3.687 20 0 BHADLO CC(C)Oc1ccc([NH2+][C@@H](C)C(C)C)cc1 ZINC000020472863 590115652 /nfs/dbraw/zinc/11/56/52/590115652.db2.gz MKLRVIWEXOYSFC-LBPRGKRZSA-N 1 2 221.344 3.930 20 0 BHADLO CC(C)Oc1ccc([NH2+][C@H](C)C(C)C)cc1 ZINC000020472865 590115909 /nfs/dbraw/zinc/11/59/09/590115909.db2.gz MKLRVIWEXOYSFC-GFCCVEGCSA-N 1 2 221.344 3.930 20 0 BHADLO CC(C)Oc1ccc([NH2+]C2CCCC2)cc1 ZINC000020472978 590115774 /nfs/dbraw/zinc/11/57/74/590115774.db2.gz UYHCPPKERYPHRQ-UHFFFAOYSA-N 1 2 219.328 3.828 20 0 BHADLO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]CC(F)(F)F ZINC000020548074 259399632 /nfs/dbraw/zinc/39/96/32/259399632.db2.gz LCIWKEQXPOQPAD-ZJUUUORDSA-N 1 2 237.309 3.743 20 0 BHADLO CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]CC(F)(F)F ZINC000020548075 259399575 /nfs/dbraw/zinc/39/95/75/259399575.db2.gz LCIWKEQXPOQPAD-UWVGGRQHSA-N 1 2 237.309 3.743 20 0 BHADLO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]CC(F)(F)F ZINC000020548076 259399397 /nfs/dbraw/zinc/39/93/97/259399397.db2.gz LCIWKEQXPOQPAD-NXEZZACHSA-N 1 2 237.309 3.743 20 0 BHADLO CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]CC(F)(F)F ZINC000020548077 259399354 /nfs/dbraw/zinc/39/93/54/259399354.db2.gz LCIWKEQXPOQPAD-VHSXEESVSA-N 1 2 237.309 3.743 20 0 BHADLO c1ccc(CNc2ccc3ccccc3[nH+]2)cc1 ZINC000020557806 386796009 /nfs/dbraw/zinc/79/60/09/386796009.db2.gz PBQZDVLJNWXNFO-UHFFFAOYSA-N 1 2 234.302 3.847 20 0 BHADLO CCC[C@@H](C)Nc1ccc2ccccc2[nH+]1 ZINC000020558326 398011530 /nfs/dbraw/zinc/01/15/30/398011530.db2.gz AZVDWWZOYFLVKZ-LLVKDONJSA-N 1 2 214.312 3.835 20 0 BHADLO CCC[C@H](C)Nc1ccc2ccccc2[nH+]1 ZINC000020558328 398011567 /nfs/dbraw/zinc/01/15/67/398011567.db2.gz AZVDWWZOYFLVKZ-NSHDSACASA-N 1 2 214.312 3.835 20 0 BHADLO CC[C@@H](C)C[NH2+]c1ccc(OC(F)F)cc1 ZINC000020563410 590124028 /nfs/dbraw/zinc/12/40/28/590124028.db2.gz KZESDHOWUOLWRF-SECBINFHSA-N 1 2 229.270 3.746 20 0 BHADLO CC[C@H](C)C[NH2+]c1ccc(OC(F)F)cc1 ZINC000020563413 590123823 /nfs/dbraw/zinc/12/38/23/590123823.db2.gz KZESDHOWUOLWRF-VIFPVBQESA-N 1 2 229.270 3.746 20 0 BHADLO CC[C@@H](C)[C@@H](C)[NH2+]c1ccc(OC)cc1OC ZINC000020567352 590124500 /nfs/dbraw/zinc/12/45/00/590124500.db2.gz UBOGBXSVCSEISD-GHMZBOCLSA-N 1 2 237.343 3.550 20 0 BHADLO CC[C@H](C)[C@@H](C)[NH2+]c1ccc(OC)cc1OC ZINC000020567354 590124177 /nfs/dbraw/zinc/12/41/77/590124177.db2.gz UBOGBXSVCSEISD-WDEREUQCSA-N 1 2 237.343 3.550 20 0 BHADLO c1ccc(CCNc2ccc3ccccc3[nH+]2)cc1 ZINC000021059216 386230920 /nfs/dbraw/zinc/23/09/20/386230920.db2.gz BEASNSQUGQAETO-UHFFFAOYSA-N 1 2 248.329 3.889 20 0 BHADLO CCC(CC)Nc1ccc2ccccc2[nH+]1 ZINC000021060684 168394048 /nfs/dbraw/zinc/39/40/48/168394048.db2.gz TUYOKJNXBFKJES-UHFFFAOYSA-N 1 2 214.312 3.835 20 0 BHADLO CCCCCNc1ccc2ccccc2[nH+]1 ZINC000021504922 262746968 /nfs/dbraw/zinc/74/69/68/262746968.db2.gz INWTZHVWQBIRFR-UHFFFAOYSA-N 1 2 214.312 3.837 20 0 BHADLO CCC[C@@H](C)[NH2+]c1ccc(OC(F)F)cc1 ZINC000021510606 590191978 /nfs/dbraw/zinc/19/19/78/590191978.db2.gz PZCFCVQUXHNLJX-SECBINFHSA-N 1 2 229.270 3.889 20 0 BHADLO CCC[C@H](C)[NH2+]c1ccc(OC(F)F)cc1 ZINC000021510608 590191907 /nfs/dbraw/zinc/19/19/07/590191907.db2.gz PZCFCVQUXHNLJX-VIFPVBQESA-N 1 2 229.270 3.889 20 0 BHADLO c1ccc(NC2CCCCCCC2)[nH+]c1 ZINC000021515278 385866356 /nfs/dbraw/zinc/86/63/56/385866356.db2.gz VWKFOXGZGGAXSM-UHFFFAOYSA-N 1 2 204.317 3.606 20 0 BHADLO CC(C)CCNc1ccc2ccccc2[nH+]1 ZINC000021796599 386839724 /nfs/dbraw/zinc/83/97/24/386839724.db2.gz UHVRMTFMOWCORI-UHFFFAOYSA-N 1 2 214.312 3.693 20 0 BHADLO CC(C)CC[NH2+]c1ccc(OC(F)F)cc1 ZINC000021804074 166868589 /nfs/dbraw/zinc/86/85/89/166868589.db2.gz RNMXDCDFPDHNLH-UHFFFAOYSA-N 1 2 229.270 3.746 20 0 BHADLO CCOc1ccc([NH2+]CC(CC)CC)cc1 ZINC000021807220 590234276 /nfs/dbraw/zinc/23/42/76/590234276.db2.gz HFLDCAJZNYOLRA-UHFFFAOYSA-N 1 2 221.344 3.933 20 0 BHADLO CCOc1ccc([NH2+]C[C@H]2CC=CCC2)cc1 ZINC000021807978 590233930 /nfs/dbraw/zinc/23/39/30/590233930.db2.gz YYTJUBDXFNPXFT-ZDUSSCGKSA-N 1 2 231.339 3.854 20 0 BHADLO CCOc1ccc([NH2+]C[C@@H]2CC=CCC2)cc1 ZINC000021807979 590234352 /nfs/dbraw/zinc/23/43/52/590234352.db2.gz YYTJUBDXFNPXFT-CYBMUJFWSA-N 1 2 231.339 3.854 20 0 BHADLO COc1ccc([NH2+]C[C@@H](C)c2ccccc2)cc1 ZINC000021814102 175151504 /nfs/dbraw/zinc/15/15/04/175151504.db2.gz IWMNXDVMZGFMFL-CYBMUJFWSA-N 1 2 241.334 3.911 20 0 BHADLO COc1ccc([NH2+]C[C@H](C)c2ccccc2)cc1 ZINC000021814103 175151508 /nfs/dbraw/zinc/15/15/08/175151508.db2.gz IWMNXDVMZGFMFL-ZDUSSCGKSA-N 1 2 241.334 3.911 20 0 BHADLO Cc1ccccc1CNc1ccc([NH+](C)C)cc1 ZINC000032090405 179286232 /nfs/dbraw/zinc/28/62/32/179286232.db2.gz SBVRUUCXTPGKKR-UHFFFAOYSA-N 1 2 240.350 3.673 20 0 BHADLO Cc1cccc(CNc2ccc([NH+](C)C)cc2)c1 ZINC000032090410 641735940 /nfs/dbraw/zinc/73/59/40/641735940.db2.gz HCWAMLJZHJPPPV-UHFFFAOYSA-N 1 2 240.350 3.673 20 0 BHADLO C[NH+](C)c1ccc(NCc2ccccc2F)cc1 ZINC000032101710 641741374 /nfs/dbraw/zinc/74/13/74/641741374.db2.gz GYHPINJPWRRQQK-UHFFFAOYSA-N 1 2 244.313 3.504 20 0 BHADLO CCCC[NH2+]c1ccc(N2CCCCC2)cc1 ZINC000033464804 132336145 /nfs/dbraw/zinc/33/61/45/132336145.db2.gz QCDGDAQVZIMJFO-UHFFFAOYSA-N 1 2 232.371 3.889 20 0 BHADLO Cc1cc2[nH]c(-c3ccc(O)cc3)[nH+]c2cc1C ZINC000034575187 386444408 /nfs/dbraw/zinc/44/44/08/386444408.db2.gz AMVWFSJKNHALAX-UHFFFAOYSA-N 1 2 238.290 3.552 20 0 BHADLO Cc1cc(NCc2ccccc2)nc(C(C)C)[nH+]1 ZINC000035121217 178173040 /nfs/dbraw/zinc/17/30/40/178173040.db2.gz RQRXHCLBSRCLSX-UHFFFAOYSA-N 1 2 241.338 3.521 20 0 BHADLO Cc1cc(NC2CCCCC2)nc(C(C)C)[nH+]1 ZINC000035121219 178154156 /nfs/dbraw/zinc/15/41/56/178154156.db2.gz NFJXPUZPIJBYIL-UHFFFAOYSA-N 1 2 233.359 3.653 20 0 BHADLO CCC(CC)Nc1cc(C)[nH+]c(C(C)C)n1 ZINC000035121294 168394232 /nfs/dbraw/zinc/39/42/32/168394232.db2.gz NXJHKDQWYRCFAM-UHFFFAOYSA-N 1 2 221.348 3.509 20 0 BHADLO Cc1cc(NCc2cccs2)nc(C(C)C)[nH+]1 ZINC000035121374 178175012 /nfs/dbraw/zinc/17/50/12/178175012.db2.gz WXLAOXIPQLSFSG-UHFFFAOYSA-N 1 2 247.367 3.582 20 0 BHADLO C[C@H](Nc1ccc2ccccc2[nH+]1)c1ccccn1 ZINC000035122240 322823264 /nfs/dbraw/zinc/82/32/64/322823264.db2.gz BCNBWVREPGVJIJ-LBPRGKRZSA-N 1 2 249.317 3.803 20 0 BHADLO C[C@@H](Nc1ccc2ccccc2[nH+]1)c1ccccn1 ZINC000035122241 384398961 /nfs/dbraw/zinc/39/89/61/384398961.db2.gz BCNBWVREPGVJIJ-GFCCVEGCSA-N 1 2 249.317 3.803 20 0 BHADLO C[C@H](Nc1ccc([NH+](C)C)cc1)c1ccccc1 ZINC000035164246 643595092 /nfs/dbraw/zinc/59/50/92/643595092.db2.gz IEGCMXIPDDWJQI-ZDUSSCGKSA-N 1 2 240.350 3.926 20 0 BHADLO C[C@@H](Nc1ccc([NH+](C)C)cc1)c1ccccc1 ZINC000035164248 643595837 /nfs/dbraw/zinc/59/58/37/643595837.db2.gz IEGCMXIPDDWJQI-CYBMUJFWSA-N 1 2 240.350 3.926 20 0 BHADLO COc1ccc([NH2+][C@@H](C)CCc2ccco2)cc1 ZINC000035451396 175153597 /nfs/dbraw/zinc/15/35/97/175153597.db2.gz NGRBNJVYOGDIQZ-LBPRGKRZSA-N 1 2 245.322 3.721 20 0 BHADLO COc1ccc([NH2+][C@H](C)CCc2ccco2)cc1 ZINC000035451400 175155023 /nfs/dbraw/zinc/15/50/23/175155023.db2.gz NGRBNJVYOGDIQZ-GFCCVEGCSA-N 1 2 245.322 3.721 20 0 BHADLO CCC[C@@H](C)CNc1ccc([NH+](C)C)cc1 ZINC000036335097 169360910 /nfs/dbraw/zinc/36/09/10/169360910.db2.gz HPLZMHUSXQNGJM-GFCCVEGCSA-N 1 2 220.360 3.601 20 0 BHADLO CC[C@@H](C)[C@@H](C)[NH2+]c1ccc(N(C)C)cc1 ZINC000036335113 643177090 /nfs/dbraw/zinc/17/70/90/643177090.db2.gz DJCPHLWNRKSSGC-VXGBXAGGSA-N 1 2 220.360 3.599 20 0 BHADLO CC[C@H](C)[C@@H](C)[NH2+]c1ccc(N(C)C)cc1 ZINC000036335114 643176955 /nfs/dbraw/zinc/17/69/55/643176955.db2.gz DJCPHLWNRKSSGC-NWDGAFQWSA-N 1 2 220.360 3.599 20 0 BHADLO CC[C@@H](C)[C@H](C)[NH2+]c1ccc(N(C)C)cc1 ZINC000036335115 643175983 /nfs/dbraw/zinc/17/59/83/643175983.db2.gz DJCPHLWNRKSSGC-NEPJUHHUSA-N 1 2 220.360 3.599 20 0 BHADLO CC[C@H](C)[C@H](C)[NH2+]c1ccc(N(C)C)cc1 ZINC000036335116 643176597 /nfs/dbraw/zinc/17/65/97/643176597.db2.gz DJCPHLWNRKSSGC-RYUDHWBXSA-N 1 2 220.360 3.599 20 0 BHADLO CC1CCC([NH2+]c2ccc(N(C)C)cc2)CC1 ZINC000036335227 643462445 /nfs/dbraw/zinc/46/24/45/643462445.db2.gz QTZSRSUIUBBJQY-UHFFFAOYSA-N 1 2 232.371 3.743 20 0 BHADLO CN(C)c1ccc([NH2+]C2CCCCCC2)cc1 ZINC000036335229 643175788 /nfs/dbraw/zinc/17/57/88/643175788.db2.gz WSLHYOXZMBPQLS-UHFFFAOYSA-N 1 2 232.371 3.887 20 0 BHADLO C[C@@H]1CCCC[C@@H]1[NH2+]c1ccc(N(C)C)cc1 ZINC000036335241 643176898 /nfs/dbraw/zinc/17/68/98/643176898.db2.gz GIURBNSHXDIMIS-DOMZBBRYSA-N 1 2 232.371 3.743 20 0 BHADLO C[C@H]1CCCC[C@@H]1[NH2+]c1ccc(N(C)C)cc1 ZINC000036335242 643177346 /nfs/dbraw/zinc/17/73/46/643177346.db2.gz GIURBNSHXDIMIS-WFASDCNBSA-N 1 2 232.371 3.743 20 0 BHADLO C[C@@H]1CCCC[C@H]1[NH2+]c1ccc(N(C)C)cc1 ZINC000036335243 643176819 /nfs/dbraw/zinc/17/68/19/643176819.db2.gz GIURBNSHXDIMIS-IUODEOHRSA-N 1 2 232.371 3.743 20 0 BHADLO C[C@H]1CCCC[C@H]1[NH2+]c1ccc(N(C)C)cc1 ZINC000036335244 643176286 /nfs/dbraw/zinc/17/62/86/643176286.db2.gz GIURBNSHXDIMIS-SWLSCSKDSA-N 1 2 232.371 3.743 20 0 BHADLO C[C@@H]1CCC[C@H]([NH2+]c2ccc(N(C)C)cc2)C1 ZINC000036335249 643176851 /nfs/dbraw/zinc/17/68/51/643176851.db2.gz QDECPMYRNYLKMU-OCCSQVGLSA-N 1 2 232.371 3.743 20 0 BHADLO C[C@H]1CCC[C@H]([NH2+]c2ccc(N(C)C)cc2)C1 ZINC000036335250 643176666 /nfs/dbraw/zinc/17/66/66/643176666.db2.gz QDECPMYRNYLKMU-JSGCOSHPSA-N 1 2 232.371 3.743 20 0 BHADLO C[C@@H]1CCC[C@@H]([NH2+]c2ccc(N(C)C)cc2)C1 ZINC000036335251 643177448 /nfs/dbraw/zinc/17/74/48/643177448.db2.gz QDECPMYRNYLKMU-TZMCWYRMSA-N 1 2 232.371 3.743 20 0 BHADLO C[C@H]1CCC[C@@H]([NH2+]c2ccc(N(C)C)cc2)C1 ZINC000036335252 643176984 /nfs/dbraw/zinc/17/69/84/643176984.db2.gz QDECPMYRNYLKMU-GXTWGEPZSA-N 1 2 232.371 3.743 20 0 BHADLO CCC(CC)CNc1ccc([NH+](C)C)cc1 ZINC000036335268 168366805 /nfs/dbraw/zinc/36/68/05/168366805.db2.gz XFRZLLOWCNWBOF-UHFFFAOYSA-N 1 2 220.360 3.601 20 0 BHADLO CC(C)C[C@@H](C)[NH2+]c1ccc(N(C)C)cc1 ZINC000036335390 643180817 /nfs/dbraw/zinc/18/08/17/643180817.db2.gz ZLEHBKOUYKEXQB-GFCCVEGCSA-N 1 2 220.360 3.599 20 0 BHADLO CC(C)C[C@H](C)[NH2+]c1ccc(N(C)C)cc1 ZINC000036335391 643181857 /nfs/dbraw/zinc/18/18/57/643181857.db2.gz ZLEHBKOUYKEXQB-LBPRGKRZSA-N 1 2 220.360 3.599 20 0 BHADLO C[C@H](Nc1ccc([NH+](C)C)cc1)c1cccs1 ZINC000036335392 343316213 /nfs/dbraw/zinc/31/62/13/343316213.db2.gz SYNKNWZWFGLODI-NSHDSACASA-N 1 2 246.379 3.987 20 0 BHADLO C[C@@H](Nc1ccc([NH+](C)C)cc1)c1cccs1 ZINC000036335393 343316491 /nfs/dbraw/zinc/31/64/91/343316491.db2.gz SYNKNWZWFGLODI-LLVKDONJSA-N 1 2 246.379 3.987 20 0 BHADLO C[C@H](Nc1ccc([NH+](C)C)cc1)c1ccco1 ZINC000036335419 643181351 /nfs/dbraw/zinc/18/13/51/643181351.db2.gz FLQAGHKDOUXYQB-NSHDSACASA-N 1 2 230.311 3.519 20 0 BHADLO C[C@@H](Nc1ccc([NH+](C)C)cc1)c1ccco1 ZINC000036335420 643180442 /nfs/dbraw/zinc/18/04/42/643180442.db2.gz FLQAGHKDOUXYQB-LLVKDONJSA-N 1 2 230.311 3.519 20 0 BHADLO Cc1ccc([C@@H](C)Nc2ccc([NH+](C)C)cc2)o1 ZINC000036335432 643181486 /nfs/dbraw/zinc/18/14/86/643181486.db2.gz WBOVLUOHSUYPJY-GFCCVEGCSA-N 1 2 244.338 3.827 20 0 BHADLO Cc1ccc([C@H](C)Nc2ccc([NH+](C)C)cc2)o1 ZINC000036335433 643180344 /nfs/dbraw/zinc/18/03/44/643180344.db2.gz WBOVLUOHSUYPJY-LBPRGKRZSA-N 1 2 244.338 3.827 20 0 BHADLO c1ccc2[nH+]c(NC3CCCCC3)ccc2c1 ZINC000036862534 387818529 /nfs/dbraw/zinc/81/85/29/387818529.db2.gz DKNYQWSMAYKEEW-UHFFFAOYSA-N 1 2 226.323 3.979 20 0 BHADLO Cc1cc([NH+](C)C)ccc1NC[C@H]1CC=CCC1 ZINC000036934672 712521130 /nfs/dbraw/zinc/52/11/30/712521130.db2.gz YDRGXUDRWFFIIZ-AWEZNQCLSA-N 1 2 244.382 3.829 20 0 BHADLO Cc1cc(N(C)C)ccc1[NH2+]C[C@H]1CC=CCC1 ZINC000036934672 712521129 /nfs/dbraw/zinc/52/11/29/712521129.db2.gz YDRGXUDRWFFIIZ-AWEZNQCLSA-N 1 2 244.382 3.829 20 0 BHADLO Cc1cc([NH+](C)C)ccc1NC[C@@H]1CC=CCC1 ZINC000036934673 712521195 /nfs/dbraw/zinc/52/11/95/712521195.db2.gz YDRGXUDRWFFIIZ-CQSZACIVSA-N 1 2 244.382 3.829 20 0 BHADLO Cc1cc(N(C)C)ccc1[NH2+]C[C@@H]1CC=CCC1 ZINC000036934673 712521194 /nfs/dbraw/zinc/52/11/94/712521194.db2.gz YDRGXUDRWFFIIZ-CQSZACIVSA-N 1 2 244.382 3.829 20 0 BHADLO CC[C@@H](C)CNc1ccc([NH+](C)C)cc1C ZINC000036934683 712521481 /nfs/dbraw/zinc/52/14/81/712521481.db2.gz QMWAJECAMKZZDB-LLVKDONJSA-N 1 2 220.360 3.519 20 0 BHADLO CC[C@@H](C)C[NH2+]c1ccc(N(C)C)cc1C ZINC000036934683 712521480 /nfs/dbraw/zinc/52/14/80/712521480.db2.gz QMWAJECAMKZZDB-LLVKDONJSA-N 1 2 220.360 3.519 20 0 BHADLO CC[C@H](C)CNc1ccc([NH+](C)C)cc1C ZINC000036934684 712521485 /nfs/dbraw/zinc/52/14/85/712521485.db2.gz QMWAJECAMKZZDB-NSHDSACASA-N 1 2 220.360 3.519 20 0 BHADLO CC[C@H](C)C[NH2+]c1ccc(N(C)C)cc1C ZINC000036934684 712521484 /nfs/dbraw/zinc/52/14/84/712521484.db2.gz QMWAJECAMKZZDB-NSHDSACASA-N 1 2 220.360 3.519 20 0 BHADLO Cc1cc([NH+](C)C)ccc1NC1CCCCC1 ZINC000036934845 712521093 /nfs/dbraw/zinc/52/10/93/712521093.db2.gz WDHLIFDRLDRJLB-UHFFFAOYSA-N 1 2 232.371 3.806 20 0 BHADLO Cc1cc(N(C)C)ccc1[NH2+]C1CCCCC1 ZINC000036934845 712521092 /nfs/dbraw/zinc/52/10/92/712521092.db2.gz WDHLIFDRLDRJLB-UHFFFAOYSA-N 1 2 232.371 3.806 20 0 BHADLO CCC[C@@H](C)Nc1ccc([NH+](C)C)cc1C ZINC000036934859 712521304 /nfs/dbraw/zinc/52/13/04/712521304.db2.gz LDLXKHIISJPAQX-GFCCVEGCSA-N 1 2 220.360 3.662 20 0 BHADLO CCC[C@@H](C)[NH2+]c1ccc(N(C)C)cc1C ZINC000036934859 712521303 /nfs/dbraw/zinc/52/13/03/712521303.db2.gz LDLXKHIISJPAQX-GFCCVEGCSA-N 1 2 220.360 3.662 20 0 BHADLO CCC[C@H](C)Nc1ccc([NH+](C)C)cc1C ZINC000036934860 712521069 /nfs/dbraw/zinc/52/10/69/712521069.db2.gz LDLXKHIISJPAQX-LBPRGKRZSA-N 1 2 220.360 3.662 20 0 BHADLO CCC[C@H](C)[NH2+]c1ccc(N(C)C)cc1C ZINC000036934860 712521068 /nfs/dbraw/zinc/52/10/68/712521068.db2.gz LDLXKHIISJPAQX-LBPRGKRZSA-N 1 2 220.360 3.662 20 0 BHADLO Cc1cc([NH+](C)C)ccc1N[C@@H](C)C(C)C ZINC000036934873 712521459 /nfs/dbraw/zinc/52/14/59/712521459.db2.gz REJIYEFZQWZSFA-LBPRGKRZSA-N 1 2 220.360 3.517 20 0 BHADLO Cc1cc(N(C)C)ccc1[NH2+][C@@H](C)C(C)C ZINC000036934873 712521458 /nfs/dbraw/zinc/52/14/58/712521458.db2.gz REJIYEFZQWZSFA-LBPRGKRZSA-N 1 2 220.360 3.517 20 0 BHADLO Cc1cc([NH+](C)C)ccc1N[C@H](C)C(C)C ZINC000036934874 712521450 /nfs/dbraw/zinc/52/14/50/712521450.db2.gz REJIYEFZQWZSFA-GFCCVEGCSA-N 1 2 220.360 3.517 20 0 BHADLO Cc1cc(N(C)C)ccc1[NH2+][C@H](C)C(C)C ZINC000036934874 712521449 /nfs/dbraw/zinc/52/14/49/712521449.db2.gz REJIYEFZQWZSFA-GFCCVEGCSA-N 1 2 220.360 3.517 20 0 BHADLO CCC(CC)Nc1ccc([NH+](C)C)cc1C ZINC000036934897 712521159 /nfs/dbraw/zinc/52/11/59/712521159.db2.gz AFESAYUPDHLZFO-UHFFFAOYSA-N 1 2 220.360 3.662 20 0 BHADLO CCC(CC)[NH2+]c1ccc(N(C)C)cc1C ZINC000036934897 712521157 /nfs/dbraw/zinc/52/11/57/712521157.db2.gz AFESAYUPDHLZFO-UHFFFAOYSA-N 1 2 220.360 3.662 20 0 BHADLO Cc1cc([NH+](C)C)ccc1N[C@@H](C)c1ccco1 ZINC000036934904 712521384 /nfs/dbraw/zinc/52/13/84/712521384.db2.gz RKVJJODLIKQCPQ-LBPRGKRZSA-N 1 2 244.338 3.827 20 0 BHADLO Cc1cc([NH+](C)C)ccc1N[C@H](C)c1ccco1 ZINC000036934905 712521517 /nfs/dbraw/zinc/52/15/17/712521517.db2.gz RKVJJODLIKQCPQ-GFCCVEGCSA-N 1 2 244.338 3.827 20 0 BHADLO CC[C@@H](C)[C@@H](C)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000036939746 262910031 /nfs/dbraw/zinc/91/00/31/262910031.db2.gz AYTWRMUDVMRHBO-CHWSQXEVSA-N 1 2 243.354 3.719 20 0 BHADLO CC[C@H](C)[C@@H](C)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000036939748 262909966 /nfs/dbraw/zinc/90/99/66/262909966.db2.gz AYTWRMUDVMRHBO-QWHCGFSZSA-N 1 2 243.354 3.719 20 0 BHADLO CC[C@@H](C)[C@H](C)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000036939750 387887851 /nfs/dbraw/zinc/88/78/51/387887851.db2.gz AYTWRMUDVMRHBO-OLZOCXBDSA-N 1 2 243.354 3.719 20 0 BHADLO CC[C@H](C)[C@H](C)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000036939752 387887316 /nfs/dbraw/zinc/88/73/16/387887316.db2.gz AYTWRMUDVMRHBO-STQMWFEESA-N 1 2 243.354 3.719 20 0 BHADLO CCC(CC)CNc1cccc(-n2cc[nH+]c2)c1 ZINC000036939920 168366777 /nfs/dbraw/zinc/36/67/77/168366777.db2.gz XGBLKDGBWAXKDK-UHFFFAOYSA-N 1 2 243.354 3.720 20 0 BHADLO CC(C)C[C@@H](C)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000036940037 387887970 /nfs/dbraw/zinc/88/79/70/387887970.db2.gz MCEJCYKHOSOJJN-CYBMUJFWSA-N 1 2 243.354 3.719 20 0 BHADLO CC(C)C[C@H](C)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000036940039 387887784 /nfs/dbraw/zinc/88/77/84/387887784.db2.gz MCEJCYKHOSOJJN-ZDUSSCGKSA-N 1 2 243.354 3.719 20 0 BHADLO Cc1cc(N2CCCC2)ccc1[NH2+]C1CCCC1 ZINC000036955676 384522665 /nfs/dbraw/zinc/52/26/65/384522665.db2.gz KRYOHIARHLSPKB-UHFFFAOYSA-N 1 2 244.382 3.950 20 0 BHADLO Cc1cc(N2CCCC2)ccc1[NH2+]CC(C)C ZINC000036955696 384572758 /nfs/dbraw/zinc/57/27/58/384572758.db2.gz NUOMLMPQUPJEKM-UHFFFAOYSA-N 1 2 232.371 3.663 20 0 BHADLO Cc1cc([NH+]2CCCC2)ccc1NCC(C)C ZINC000036955696 384572755 /nfs/dbraw/zinc/57/27/55/384572755.db2.gz NUOMLMPQUPJEKM-UHFFFAOYSA-N 1 2 232.371 3.663 20 0 BHADLO Cc1cc(N2CCCC2)ccc1[NH2+][C@@H](C)C1CC1 ZINC000036955739 384228890 /nfs/dbraw/zinc/22/88/90/384228890.db2.gz GAZJNYCWHCWJJN-ZDUSSCGKSA-N 1 2 244.382 3.806 20 0 BHADLO Cc1cc(N2CCCC2)ccc1[NH2+][C@H](C)C1CC1 ZINC000036955740 384227240 /nfs/dbraw/zinc/22/72/40/384227240.db2.gz GAZJNYCWHCWJJN-CYBMUJFWSA-N 1 2 244.382 3.806 20 0 BHADLO CC[C@@H](C)[C@@H](C)[NH2+]c1ccc(-n2cccn2)cc1 ZINC000036977614 262961792 /nfs/dbraw/zinc/96/17/92/262961792.db2.gz GJKKRUUFHXLKTK-CHWSQXEVSA-N 1 2 243.354 3.719 20 0 BHADLO CC[C@H](C)[C@@H](C)[NH2+]c1ccc(-n2cccn2)cc1 ZINC000036977616 388550369 /nfs/dbraw/zinc/55/03/69/388550369.db2.gz GJKKRUUFHXLKTK-QWHCGFSZSA-N 1 2 243.354 3.719 20 0 BHADLO CC[C@@H](C)[C@H](C)[NH2+]c1ccc(-n2cccn2)cc1 ZINC000036977618 388550637 /nfs/dbraw/zinc/55/06/37/388550637.db2.gz GJKKRUUFHXLKTK-OLZOCXBDSA-N 1 2 243.354 3.719 20 0 BHADLO CC[C@H](C)[C@H](C)[NH2+]c1ccc(-n2cccn2)cc1 ZINC000036977620 262961882 /nfs/dbraw/zinc/96/18/82/262961882.db2.gz GJKKRUUFHXLKTK-STQMWFEESA-N 1 2 243.354 3.719 20 0 BHADLO CCC(CC)C[NH2+]c1ccc(-n2cccn2)cc1 ZINC000036977784 361586470 /nfs/dbraw/zinc/58/64/70/361586470.db2.gz DZJXVNKFGZQEQN-UHFFFAOYSA-N 1 2 243.354 3.720 20 0 BHADLO c1cnn(-c2ccc([NH2+]C3CCCCC3)cc2)c1 ZINC000036977850 383923307 /nfs/dbraw/zinc/92/33/07/383923307.db2.gz XVJNLCGQLDXYGM-UHFFFAOYSA-N 1 2 241.338 3.617 20 0 BHADLO CC(C)C[C@@H](C)[NH2+]c1ccc(-n2cccn2)cc1 ZINC000036977901 388549787 /nfs/dbraw/zinc/54/97/87/388549787.db2.gz QNWVGMCKTWFLPW-CYBMUJFWSA-N 1 2 243.354 3.719 20 0 BHADLO CC(C)C[C@H](C)[NH2+]c1ccc(-n2cccn2)cc1 ZINC000036977903 262961574 /nfs/dbraw/zinc/96/15/74/262961574.db2.gz QNWVGMCKTWFLPW-ZDUSSCGKSA-N 1 2 243.354 3.719 20 0 BHADLO CC[C@@H](C)[C@@H](C)Nc1ccc(N2CCCC2)[nH+]c1 ZINC000036982067 388551536 /nfs/dbraw/zinc/55/15/36/388551536.db2.gz VJLQBCLDIIPBSJ-CHWSQXEVSA-N 1 2 247.386 3.528 20 0 BHADLO CC[C@H](C)[C@@H](C)Nc1ccc(N2CCCC2)[nH+]c1 ZINC000036982068 384578417 /nfs/dbraw/zinc/57/84/17/384578417.db2.gz VJLQBCLDIIPBSJ-QWHCGFSZSA-N 1 2 247.386 3.528 20 0 BHADLO CC[C@@H](C)[C@H](C)Nc1ccc(N2CCCC2)[nH+]c1 ZINC000036982069 384578883 /nfs/dbraw/zinc/57/88/83/384578883.db2.gz VJLQBCLDIIPBSJ-OLZOCXBDSA-N 1 2 247.386 3.528 20 0 BHADLO CC[C@H](C)[C@H](C)Nc1ccc(N2CCCC2)[nH+]c1 ZINC000036982070 384570848 /nfs/dbraw/zinc/57/08/48/384570848.db2.gz VJLQBCLDIIPBSJ-STQMWFEESA-N 1 2 247.386 3.528 20 0 BHADLO CCC(CC)CNc1ccc(N2CCCC2)[nH+]c1 ZINC000036982153 388551602 /nfs/dbraw/zinc/55/16/02/388551602.db2.gz GJIKQGRUCQXSAQ-UHFFFAOYSA-N 1 2 247.386 3.530 20 0 BHADLO CC(C)C[C@@H](C)Nc1ccc(N2CCCC2)[nH+]c1 ZINC000036982211 388551351 /nfs/dbraw/zinc/55/13/51/388551351.db2.gz MGDPIIJHCUDICB-CYBMUJFWSA-N 1 2 247.386 3.528 20 0 BHADLO CC(C)C[C@H](C)Nc1ccc(N2CCCC2)[nH+]c1 ZINC000036982212 388551422 /nfs/dbraw/zinc/55/14/22/388551422.db2.gz MGDPIIJHCUDICB-ZDUSSCGKSA-N 1 2 247.386 3.528 20 0 BHADLO CC[C@@H](C)CNc1ccc(N2CCCCC2)[nH+]c1 ZINC000036983276 388551994 /nfs/dbraw/zinc/55/19/94/388551994.db2.gz RFQOYHZWPBNLLG-CYBMUJFWSA-N 1 2 247.386 3.530 20 0 BHADLO CC[C@H](C)CNc1ccc(N2CCCCC2)[nH+]c1 ZINC000036983277 388552195 /nfs/dbraw/zinc/55/21/95/388552195.db2.gz RFQOYHZWPBNLLG-ZDUSSCGKSA-N 1 2 247.386 3.530 20 0 BHADLO c1csc(CNc2ccc3ccccc3[nH+]2)c1 ZINC000036984127 344485252 /nfs/dbraw/zinc/48/52/52/344485252.db2.gz JVNLGQJXZXLWFG-UHFFFAOYSA-N 1 2 240.331 3.908 20 0 BHADLO CCC[C@@H](C)Nc1ccc(N2CCCCC2)[nH+]c1 ZINC000036988634 386834336 /nfs/dbraw/zinc/83/43/36/386834336.db2.gz GHVMZYAWPVKPKS-CYBMUJFWSA-N 1 2 247.386 3.672 20 0 BHADLO CCC[C@H](C)Nc1ccc(N2CCCCC2)[nH+]c1 ZINC000036988636 262762750 /nfs/dbraw/zinc/76/27/50/262762750.db2.gz GHVMZYAWPVKPKS-ZDUSSCGKSA-N 1 2 247.386 3.672 20 0 BHADLO CC(C)[C@@H](C)Nc1ccc(N2CCCCC2)[nH+]c1 ZINC000036988644 388558756 /nfs/dbraw/zinc/55/87/56/388558756.db2.gz KUPXWKFHYDAJEQ-CYBMUJFWSA-N 1 2 247.386 3.528 20 0 BHADLO CC(C)[C@H](C)Nc1ccc(N2CCCCC2)[nH+]c1 ZINC000036988646 388558255 /nfs/dbraw/zinc/55/82/55/388558255.db2.gz KUPXWKFHYDAJEQ-ZDUSSCGKSA-N 1 2 247.386 3.528 20 0 BHADLO CC[C@@H](C)CNc1ccc([NH+]2CCCC2)cc1 ZINC000037102246 712539382 /nfs/dbraw/zinc/53/93/82/712539382.db2.gz BEQQKURIFZORGZ-CYBMUJFWSA-N 1 2 232.371 3.745 20 0 BHADLO CC[C@@H](C)C[NH2+]c1ccc(N2CCCC2)cc1 ZINC000037102246 712539381 /nfs/dbraw/zinc/53/93/81/712539381.db2.gz BEQQKURIFZORGZ-CYBMUJFWSA-N 1 2 232.371 3.745 20 0 BHADLO CC[C@H](C)CNc1ccc([NH+]2CCCC2)cc1 ZINC000037102247 712539226 /nfs/dbraw/zinc/53/92/26/712539226.db2.gz BEQQKURIFZORGZ-ZDUSSCGKSA-N 1 2 232.371 3.745 20 0 BHADLO CC[C@H](C)C[NH2+]c1ccc(N2CCCC2)cc1 ZINC000037102247 712539225 /nfs/dbraw/zinc/53/92/25/712539225.db2.gz BEQQKURIFZORGZ-ZDUSSCGKSA-N 1 2 232.371 3.745 20 0 BHADLO c1cc(N2CCCC2)ccc1[NH2+]C1CCCC1 ZINC000037102263 712539025 /nfs/dbraw/zinc/53/90/25/712539025.db2.gz VFGIISSKUKWHKN-UHFFFAOYSA-N 1 2 230.355 3.641 20 0 BHADLO c1cc([NH+]2CCCC2)ccc1NC1CCCC1 ZINC000037102263 712539024 /nfs/dbraw/zinc/53/90/24/712539024.db2.gz VFGIISSKUKWHKN-UHFFFAOYSA-N 1 2 230.355 3.641 20 0 BHADLO CCC[C@@H](C)Nc1ccc([NH+]2CCCC2)cc1 ZINC000037102320 712539046 /nfs/dbraw/zinc/53/90/46/712539046.db2.gz PUTXGRDTBRCADK-CYBMUJFWSA-N 1 2 232.371 3.887 20 0 BHADLO CCC[C@@H](C)[NH2+]c1ccc(N2CCCC2)cc1 ZINC000037102320 712539045 /nfs/dbraw/zinc/53/90/45/712539045.db2.gz PUTXGRDTBRCADK-CYBMUJFWSA-N 1 2 232.371 3.887 20 0 BHADLO CCC[C@H](C)Nc1ccc([NH+]2CCCC2)cc1 ZINC000037102321 712539012 /nfs/dbraw/zinc/53/90/12/712539012.db2.gz PUTXGRDTBRCADK-ZDUSSCGKSA-N 1 2 232.371 3.887 20 0 BHADLO CCC[C@H](C)[NH2+]c1ccc(N2CCCC2)cc1 ZINC000037102321 712539011 /nfs/dbraw/zinc/53/90/11/712539011.db2.gz PUTXGRDTBRCADK-ZDUSSCGKSA-N 1 2 232.371 3.887 20 0 BHADLO CC(C)[C@@H](C)Nc1ccc([NH+]2CCCC2)cc1 ZINC000037102328 167385649 /nfs/dbraw/zinc/38/56/49/167385649.db2.gz LFKDQWQVLWAAGT-CYBMUJFWSA-N 1 2 232.371 3.743 20 0 BHADLO CC(C)[C@@H](C)[NH2+]c1ccc(N2CCCC2)cc1 ZINC000037102328 167385647 /nfs/dbraw/zinc/38/56/47/167385647.db2.gz LFKDQWQVLWAAGT-CYBMUJFWSA-N 1 2 232.371 3.743 20 0 BHADLO CC(C)[C@H](C)Nc1ccc([NH+]2CCCC2)cc1 ZINC000037102329 712539210 /nfs/dbraw/zinc/53/92/10/712539210.db2.gz LFKDQWQVLWAAGT-ZDUSSCGKSA-N 1 2 232.371 3.743 20 0 BHADLO CC(C)[C@H](C)[NH2+]c1ccc(N2CCCC2)cc1 ZINC000037102329 712539208 /nfs/dbraw/zinc/53/92/08/712539208.db2.gz LFKDQWQVLWAAGT-ZDUSSCGKSA-N 1 2 232.371 3.743 20 0 BHADLO CCCC[C@@H](C)[NH2+]c1ccc(OC)cc1OC ZINC000037195581 712552497 /nfs/dbraw/zinc/55/24/97/712552497.db2.gz PJFCWRLJXWCARR-LLVKDONJSA-N 1 2 237.343 3.694 20 0 BHADLO CCCC[C@H](C)[NH2+]c1ccc(OC)cc1OC ZINC000037195582 712552596 /nfs/dbraw/zinc/55/25/96/712552596.db2.gz PJFCWRLJXWCARR-NSHDSACASA-N 1 2 237.343 3.694 20 0 BHADLO CC[C@H]([NH2+]c1ccc(OC)cc1OC)C(C)C ZINC000037195583 712552704 /nfs/dbraw/zinc/55/27/04/712552704.db2.gz GHEUFDLOERMROY-LBPRGKRZSA-N 1 2 237.343 3.550 20 0 BHADLO CC[C@@H]([NH2+]c1ccc(OC)cc1OC)C(C)C ZINC000037195584 712552565 /nfs/dbraw/zinc/55/25/65/712552565.db2.gz GHEUFDLOERMROY-GFCCVEGCSA-N 1 2 237.343 3.550 20 0 BHADLO c1ccc2[nH+]c(NCC3CCCC3)ccc2c1 ZINC000037251433 388612747 /nfs/dbraw/zinc/61/27/47/388612747.db2.gz SIIPUFZKXXRHNC-UHFFFAOYSA-N 1 2 226.323 3.837 20 0 BHADLO CCCC[C@H](C)[NH2+]c1ccc(N(C)C)cc1 ZINC000037270179 712564921 /nfs/dbraw/zinc/56/49/21/712564921.db2.gz LKHATBUGDNJUIM-LBPRGKRZSA-N 1 2 220.360 3.743 20 0 BHADLO CC[C@H](Nc1cccc(-n2cc[nH+]c2)c1)C(C)C ZINC000037275287 388639093 /nfs/dbraw/zinc/63/90/93/388639093.db2.gz SHHWDTVFJQKCRU-HNNXBMFYSA-N 1 2 243.354 3.719 20 0 BHADLO CC[C@@H](Nc1cccc(-n2cc[nH+]c2)c1)C(C)C ZINC000037275290 324555345 /nfs/dbraw/zinc/55/53/45/324555345.db2.gz SHHWDTVFJQKCRU-OAHLLOKOSA-N 1 2 243.354 3.719 20 0 BHADLO CC[C@H]([NH2+]c1ccc(-n2cccn2)cc1)C(C)C ZINC000037282929 388641007 /nfs/dbraw/zinc/64/10/07/388641007.db2.gz MSIMWRWTSFESCC-HNNXBMFYSA-N 1 2 243.354 3.719 20 0 BHADLO CC[C@@H]([NH2+]c1ccc(-n2cccn2)cc1)C(C)C ZINC000037282930 388641184 /nfs/dbraw/zinc/64/11/84/388641184.db2.gz MSIMWRWTSFESCC-OAHLLOKOSA-N 1 2 243.354 3.719 20 0 BHADLO CCCC[C@@H](C)Nc1ccc(N2CCCC2)[nH+]c1 ZINC000037283504 324562250 /nfs/dbraw/zinc/56/22/50/324562250.db2.gz QCNNOTRJIUREPT-CYBMUJFWSA-N 1 2 247.386 3.672 20 0 BHADLO CCCC[C@H](C)Nc1ccc(N2CCCC2)[nH+]c1 ZINC000037283505 388641108 /nfs/dbraw/zinc/64/11/08/388641108.db2.gz QCNNOTRJIUREPT-ZDUSSCGKSA-N 1 2 247.386 3.672 20 0 BHADLO CC[C@H](Nc1ccc(N2CCCC2)[nH+]c1)C(C)C ZINC000037283506 388641075 /nfs/dbraw/zinc/64/10/75/388641075.db2.gz GAEWXFLSWRCRLE-AWEZNQCLSA-N 1 2 247.386 3.528 20 0 BHADLO CC[C@@H](Nc1ccc(N2CCCC2)[nH+]c1)C(C)C ZINC000037283507 388641134 /nfs/dbraw/zinc/64/11/34/388641134.db2.gz GAEWXFLSWRCRLE-CQSZACIVSA-N 1 2 247.386 3.528 20 0 BHADLO COc1ccc([NH2+]CCC(C)(C)C)cc1 ZINC000037488447 175150367 /nfs/dbraw/zinc/15/03/67/175150367.db2.gz DCBOKPAFMLUWTI-UHFFFAOYSA-N 1 2 207.317 3.543 20 0 BHADLO COc1ccc([NH2+]CCC(C)(C)C)cc1OC ZINC000037488515 175151051 /nfs/dbraw/zinc/15/10/51/175151051.db2.gz FZLKTCRWAPLILN-UHFFFAOYSA-N 1 2 237.343 3.552 20 0 BHADLO COc1ccc([NH2+]CCC(C)(C)C)c(OC)c1 ZINC000037488539 175150415 /nfs/dbraw/zinc/15/04/15/175150415.db2.gz QVVWHNCFPKKVFQ-UHFFFAOYSA-N 1 2 237.343 3.552 20 0 BHADLO CCOc1cc(C)ccc1[NH2+][C@@H](C)C1CC1 ZINC000037777897 324576050 /nfs/dbraw/zinc/57/60/50/324576050.db2.gz DOEIZLMMIUJGBB-NSHDSACASA-N 1 2 219.328 3.604 20 0 BHADLO CCOc1cc(C)ccc1[NH2+][C@H](C)C1CC1 ZINC000037777898 388648297 /nfs/dbraw/zinc/64/82/97/388648297.db2.gz DOEIZLMMIUJGBB-LLVKDONJSA-N 1 2 219.328 3.604 20 0 BHADLO CCCC[NH2+]c1ccc(C)cc1OCC ZINC000037777928 384532559 /nfs/dbraw/zinc/53/25/59/384532559.db2.gz QTOZPLPTZIINBP-UHFFFAOYSA-N 1 2 207.317 3.606 20 0 BHADLO CCOc1cc(C)ccc1[NH2+]C1CCCC1 ZINC000037777978 388648337 /nfs/dbraw/zinc/64/83/37/388648337.db2.gz KBVWYRYJJREVIP-UHFFFAOYSA-N 1 2 219.328 3.748 20 0 BHADLO CCCOc1cc(C)ccc1[NH2+]C(C)C ZINC000037778150 322829851 /nfs/dbraw/zinc/82/98/51/322829851.db2.gz AVCBOVSCAOOXQE-UHFFFAOYSA-N 1 2 207.317 3.604 20 0 BHADLO CCCOc1cc(C)ccc1[NH2+]CC1CC1 ZINC000037778225 388648009 /nfs/dbraw/zinc/64/80/09/388648009.db2.gz CLHBZFPQIBKMTC-UHFFFAOYSA-N 1 2 219.328 3.606 20 0 BHADLO Cc1cc(OC(C)C)ccc1[NH2+][C@@H](C)C1CC1 ZINC000037780582 178208000 /nfs/dbraw/zinc/20/80/00/178208000.db2.gz HXFIKWJGZPHZKW-LBPRGKRZSA-N 1 2 233.355 3.993 20 0 BHADLO Cc1cc(OC(C)C)ccc1[NH2+][C@H](C)C1CC1 ZINC000037780583 178208271 /nfs/dbraw/zinc/20/82/71/178208271.db2.gz HXFIKWJGZPHZKW-GFCCVEGCSA-N 1 2 233.355 3.993 20 0 BHADLO CCCC[NH2+]c1ccc(N2CCCC2)c(F)c1 ZINC000037781015 168878828 /nfs/dbraw/zinc/87/88/28/168878828.db2.gz HEMWMFJQZHQNQZ-UHFFFAOYSA-N 1 2 236.334 3.638 20 0 BHADLO CCC(CC)[NH2+]c1ccc(C)cc1OC ZINC000037783159 384532191 /nfs/dbraw/zinc/53/21/91/384532191.db2.gz KZHNKFBJTDONEL-UHFFFAOYSA-N 1 2 207.317 3.604 20 0 BHADLO COc1cc(C)ccc1[NH2+]C1CCCCC1 ZINC000037783237 388648108 /nfs/dbraw/zinc/64/81/08/388648108.db2.gz KQTHSHNPBFXKBT-UHFFFAOYSA-N 1 2 219.328 3.748 20 0 BHADLO CCCCC[NH2+]c1ccc(C)cc1OC ZINC000037783461 384530621 /nfs/dbraw/zinc/53/06/21/384530621.db2.gz KDWUVWWKMHYYOF-UHFFFAOYSA-N 1 2 207.317 3.606 20 0 BHADLO COc1cc(C)ccc1[NH2+]C[C@H]1CC=CCC1 ZINC000037783480 363898068 /nfs/dbraw/zinc/89/80/68/363898068.db2.gz XLHDGWMYUXKCEY-ZDUSSCGKSA-N 1 2 231.339 3.772 20 0 BHADLO COc1cc(C)ccc1[NH2+]C[C@@H]1CC=CCC1 ZINC000037783481 363897496 /nfs/dbraw/zinc/89/74/96/363897496.db2.gz XLHDGWMYUXKCEY-CYBMUJFWSA-N 1 2 231.339 3.772 20 0 BHADLO C[C@@H](Nc1cccc[nH+]1)c1cccc(Cl)c1 ZINC000037975312 350296798 /nfs/dbraw/zinc/29/67/98/350296798.db2.gz FHBAMLAUSPQRNT-SNVBAGLBSA-N 1 2 232.714 3.908 20 0 BHADLO CC[C@@H](C)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000040224010 348036845 /nfs/dbraw/zinc/03/68/45/348036845.db2.gz BTBIEKVXRKZNCU-SNVBAGLBSA-N 1 2 216.328 3.699 20 0 BHADLO CC[C@H](C)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000040224012 171300868 /nfs/dbraw/zinc/30/08/68/171300868.db2.gz BTBIEKVXRKZNCU-JTQLQIEISA-N 1 2 216.328 3.699 20 0 BHADLO CCCCCn1c[nH+]c2cc(C)c(C)cc21 ZINC000040224014 348036682 /nfs/dbraw/zinc/03/66/82/348036682.db2.gz QQBFOPRDIKYLKA-UHFFFAOYSA-N 1 2 216.328 3.843 20 0 BHADLO CC(C)(C)CNc1ccc2ccccc2[nH+]1 ZINC000040494165 384578997 /nfs/dbraw/zinc/57/89/97/384578997.db2.gz QYIVQJSOQAOKTP-UHFFFAOYSA-N 1 2 214.312 3.693 20 0 BHADLO Cc1cc(N[C@@H](C)c2cccc(Cl)c2)nc[nH+]1 ZINC000040727392 178179312 /nfs/dbraw/zinc/17/93/12/178179312.db2.gz ZWXPJKPELWARAZ-JTQLQIEISA-N 1 2 247.729 3.612 20 0 BHADLO Cc1cc(N[C@H](C)c2cccc(Cl)c2)nc[nH+]1 ZINC000040727394 178187936 /nfs/dbraw/zinc/18/79/36/178187936.db2.gz ZWXPJKPELWARAZ-SNVBAGLBSA-N 1 2 247.729 3.612 20 0 BHADLO Cc1cc([NH+](C)C)ccc1NCC(C)(C)C ZINC000041051257 636959444 /nfs/dbraw/zinc/95/94/44/636959444.db2.gz SDTRHTPOMBALEA-UHFFFAOYSA-N 1 2 220.360 3.519 20 0 BHADLO Cc1cc(N(C)C)ccc1[NH2+]CC(C)(C)C ZINC000041051257 636959440 /nfs/dbraw/zinc/95/94/40/636959440.db2.gz SDTRHTPOMBALEA-UHFFFAOYSA-N 1 2 220.360 3.519 20 0 BHADLO CC(C)(C)CNc1ccc(N2CCCCC2)[nH+]c1 ZINC000041120408 322834809 /nfs/dbraw/zinc/83/48/09/322834809.db2.gz FTHNXIYTWFXVAJ-UHFFFAOYSA-N 1 2 247.386 3.530 20 0 BHADLO CC(C)(C)CNc1ccc([NH+]2CCCC2)cc1 ZINC000041120613 641542930 /nfs/dbraw/zinc/54/29/30/641542930.db2.gz LYGNYBIPEUWOGR-UHFFFAOYSA-N 1 2 232.371 3.745 20 0 BHADLO CC(C)(C)C[NH2+]c1ccc(N2CCCC2)cc1 ZINC000041120613 641542923 /nfs/dbraw/zinc/54/29/23/641542923.db2.gz LYGNYBIPEUWOGR-UHFFFAOYSA-N 1 2 232.371 3.745 20 0 BHADLO Cc1cc(NC2(C)CCCC2)nc(C(C)C)[nH+]1 ZINC000042187645 178152831 /nfs/dbraw/zinc/15/28/31/178152831.db2.gz KPRCHLHMZJQIKJ-UHFFFAOYSA-N 1 2 233.359 3.653 20 0 BHADLO Cc1cc(NC(C2CC2)C2CC2)nc(C(C)C)[nH+]1 ZINC000042249726 178152455 /nfs/dbraw/zinc/15/24/55/178152455.db2.gz VMYKKZHYBPZFFN-UHFFFAOYSA-N 1 2 245.370 3.509 20 0 BHADLO C[C@H](Nc1cccc[nH+]1)c1ccccc1Cl ZINC000042255763 343432961 /nfs/dbraw/zinc/43/29/61/343432961.db2.gz QRZHMQFKEANBND-JTQLQIEISA-N 1 2 232.714 3.908 20 0 BHADLO C[C@@H](Nc1cccc[nH+]1)c1ccccc1Cl ZINC000042255767 343432787 /nfs/dbraw/zinc/43/27/87/343432787.db2.gz QRZHMQFKEANBND-SNVBAGLBSA-N 1 2 232.714 3.908 20 0 BHADLO CCCC1CCC(Nc2cccc[nH+]2)CC1 ZINC000042337699 342996814 /nfs/dbraw/zinc/99/68/14/342996814.db2.gz GWMKTOWMNFEVMC-UHFFFAOYSA-N 1 2 218.344 3.852 20 0 BHADLO Cc1cc([C@@H](C)Nc2cccc[nH+]2)c(C)s1 ZINC000042337974 178234075 /nfs/dbraw/zinc/23/40/75/178234075.db2.gz FCKBSBSBIGZGSX-SNVBAGLBSA-N 1 2 232.352 3.933 20 0 BHADLO Cc1cc([C@H](C)Nc2cccc[nH+]2)c(C)s1 ZINC000042337975 178259233 /nfs/dbraw/zinc/25/92/33/178259233.db2.gz FCKBSBSBIGZGSX-JTQLQIEISA-N 1 2 232.352 3.933 20 0 BHADLO Cc1ccc([C@@H](C)Nc2cccc[nH+]2)cc1 ZINC000042338453 386688480 /nfs/dbraw/zinc/68/84/80/386688480.db2.gz XEZZSJPIGOVELF-GFCCVEGCSA-N 1 2 212.296 3.563 20 0 BHADLO Cc1ccc([C@H](C)Nc2cccc[nH+]2)cc1 ZINC000042338455 352626784 /nfs/dbraw/zinc/62/67/84/352626784.db2.gz XEZZSJPIGOVELF-LBPRGKRZSA-N 1 2 212.296 3.563 20 0 BHADLO Cc1ccc([C@@H](C)Nc2cccc[nH+]2)s1 ZINC000042375279 178851407 /nfs/dbraw/zinc/85/14/07/178851407.db2.gz SQWPLHCYDQMNQS-SNVBAGLBSA-N 1 2 218.325 3.625 20 0 BHADLO Cc1ccc([C@H](C)Nc2cccc[nH+]2)s1 ZINC000042375280 344452064 /nfs/dbraw/zinc/45/20/64/344452064.db2.gz SQWPLHCYDQMNQS-JTQLQIEISA-N 1 2 218.325 3.625 20 0 BHADLO CCc1cc(N[C@@H](C)CCCC(C)C)nc[nH+]1 ZINC000042591311 342778219 /nfs/dbraw/zinc/77/82/19/342778219.db2.gz XUYJNTDLCQRCIM-LBPRGKRZSA-N 1 2 235.375 3.666 20 0 BHADLO CCc1cc(N[C@H](C)CCCC(C)C)nc[nH+]1 ZINC000042591314 342778346 /nfs/dbraw/zinc/77/83/46/342778346.db2.gz XUYJNTDLCQRCIM-GFCCVEGCSA-N 1 2 235.375 3.666 20 0 BHADLO CC(C)CCC[C@@H](C)Nc1cccc[nH+]1 ZINC000042591340 384832793 /nfs/dbraw/zinc/83/27/93/384832793.db2.gz PZJVODPIBYMTNA-GFCCVEGCSA-N 1 2 206.333 3.708 20 0 BHADLO CC(C)CCC[C@H](C)Nc1cccc[nH+]1 ZINC000042591343 384830206 /nfs/dbraw/zinc/83/02/06/384830206.db2.gz PZJVODPIBYMTNA-LBPRGKRZSA-N 1 2 206.333 3.708 20 0 BHADLO Cc1ccc(C[N@H+](C)Cc2ccccc2Cl)o1 ZINC000042978238 348988812 /nfs/dbraw/zinc/98/88/12/348988812.db2.gz ZTOXDPGIWXBZIN-UHFFFAOYSA-N 1 2 249.741 3.873 20 0 BHADLO Cc1ccc(C[N@@H+](C)Cc2ccccc2Cl)o1 ZINC000042978238 348988809 /nfs/dbraw/zinc/98/88/09/348988809.db2.gz ZTOXDPGIWXBZIN-UHFFFAOYSA-N 1 2 249.741 3.873 20 0 BHADLO C[C@@H](CCc1ccccc1)Nc1cccc[nH+]1 ZINC000044285717 343497169 /nfs/dbraw/zinc/49/71/69/343497169.db2.gz ULJNRDPEXQDGHU-ZDUSSCGKSA-N 1 2 226.323 3.515 20 0 BHADLO C[C@H](CCc1ccccc1)Nc1cccc[nH+]1 ZINC000044285721 343497112 /nfs/dbraw/zinc/49/71/12/343497112.db2.gz ULJNRDPEXQDGHU-CYBMUJFWSA-N 1 2 226.323 3.515 20 0 BHADLO Fc1ccccc1C[N@@H+](Cc1ccco1)C1CC1 ZINC000045004704 387956078 /nfs/dbraw/zinc/95/60/78/387956078.db2.gz VZAUTZJFIGJVNW-UHFFFAOYSA-N 1 2 245.297 3.583 20 0 BHADLO Fc1ccccc1C[N@H+](Cc1ccco1)C1CC1 ZINC000045004704 387956072 /nfs/dbraw/zinc/95/60/72/387956072.db2.gz VZAUTZJFIGJVNW-UHFFFAOYSA-N 1 2 245.297 3.583 20 0 BHADLO Cc1cc(NCc2ccc(C(C)C)cc2)nc[nH+]1 ZINC000045046113 178171849 /nfs/dbraw/zinc/17/18/49/178171849.db2.gz BCLLKZHGVWOROC-UHFFFAOYSA-N 1 2 241.338 3.521 20 0 BHADLO C[N@@H+](Cc1c(Cl)cccc1Cl)C1CC1 ZINC000046602457 384430378 /nfs/dbraw/zinc/43/03/78/384430378.db2.gz YVNWWHROQIPQBP-UHFFFAOYSA-N 1 2 230.138 3.588 20 0 BHADLO C[N@H+](Cc1c(Cl)cccc1Cl)C1CC1 ZINC000046602457 384430372 /nfs/dbraw/zinc/43/03/72/384430372.db2.gz YVNWWHROQIPQBP-UHFFFAOYSA-N 1 2 230.138 3.588 20 0 BHADLO c1[nH+]c(SCc2ccccc2)n2ccccc12 ZINC000047822624 383926869 /nfs/dbraw/zinc/92/68/69/383926869.db2.gz KFDRVMYOIYUXGK-UHFFFAOYSA-N 1 2 240.331 3.627 20 0 BHADLO Cc1ccc(CNc2ccc3ccccc3[nH+]2)o1 ZINC000048330211 411188855 /nfs/dbraw/zinc/18/88/55/411188855.db2.gz GNMGGJBELOWOKR-UHFFFAOYSA-N 1 2 238.290 3.748 20 0 BHADLO Cc1cccc(CNc2ccc3ccccc3[nH+]2)n1 ZINC000048346441 383848499 /nfs/dbraw/zinc/84/84/99/383848499.db2.gz PMJNNGNCOBKLKY-UHFFFAOYSA-N 1 2 249.317 3.550 20 0 BHADLO CCCCCC[C@@H](C)Nc1cc(C)[nH+]cn1 ZINC000049217659 168673949 /nfs/dbraw/zinc/67/39/49/168673949.db2.gz IYMFSBBLWVRSFG-LLVKDONJSA-N 1 2 221.348 3.556 20 0 BHADLO CCCCCC[C@H](C)Nc1cc(C)[nH+]cn1 ZINC000049217663 353161737 /nfs/dbraw/zinc/16/17/37/353161737.db2.gz IYMFSBBLWVRSFG-NSHDSACASA-N 1 2 221.348 3.556 20 0 BHADLO c1ccc2[nH+]c(NC(C3CC3)C3CC3)ccc2c1 ZINC000049235862 183458488 /nfs/dbraw/zinc/45/84/88/183458488.db2.gz PTXLKOMUJJAQRW-UHFFFAOYSA-N 1 2 238.334 3.835 20 0 BHADLO Cc1cc([C@H](C)Nc2cc(C)[nH+]cn2)c(C)s1 ZINC000049509421 178178807 /nfs/dbraw/zinc/17/88/07/178178807.db2.gz ARKZTULMYHELBY-JTQLQIEISA-N 1 2 247.367 3.636 20 0 BHADLO Cc1cc([C@@H](C)Nc2cc(C)[nH+]cn2)c(C)s1 ZINC000049509423 178187591 /nfs/dbraw/zinc/18/75/91/178187591.db2.gz ARKZTULMYHELBY-SNVBAGLBSA-N 1 2 247.367 3.636 20 0 BHADLO Cc1cc(N[C@@H](C)c2ccccc2Cl)nc[nH+]1 ZINC000049509529 178178111 /nfs/dbraw/zinc/17/81/11/178178111.db2.gz YXONVPQUGKGBHB-JTQLQIEISA-N 1 2 247.729 3.612 20 0 BHADLO Cc1cc(N[C@H](C)c2ccccc2Cl)nc[nH+]1 ZINC000049509531 178187180 /nfs/dbraw/zinc/18/71/80/178187180.db2.gz YXONVPQUGKGBHB-SNVBAGLBSA-N 1 2 247.729 3.612 20 0 BHADLO CCCC1CCC(Nc2cc(C)[nH+]cn2)CC1 ZINC000049546169 358694549 /nfs/dbraw/zinc/69/45/49/358694549.db2.gz YGNJLFZLRXFZTG-UHFFFAOYSA-N 1 2 233.359 3.556 20 0 BHADLO CCc1cc(N[C@@H](C)c2ccc(C)cc2)nc[nH+]1 ZINC000049558427 356482255 /nfs/dbraw/zinc/48/22/55/356482255.db2.gz AUEJPDACVZZIHO-LBPRGKRZSA-N 1 2 241.338 3.521 20 0 BHADLO CCc1cc(N[C@H](C)c2ccc(C)cc2)nc[nH+]1 ZINC000049558428 356482060 /nfs/dbraw/zinc/48/20/60/356482060.db2.gz AUEJPDACVZZIHO-GFCCVEGCSA-N 1 2 241.338 3.521 20 0 BHADLO CCCCCc1ccc(NCc2[nH]cc[nH+]2)cc1 ZINC000049714693 384678214 /nfs/dbraw/zinc/67/82/14/384678214.db2.gz RMFUIUGTBXJPJQ-UHFFFAOYSA-N 1 2 243.354 3.755 20 0 BHADLO C[C@H](Nc1ccc([NH+](C)C)cc1)c1ccsc1 ZINC000050340557 384619193 /nfs/dbraw/zinc/61/91/93/384619193.db2.gz KVMRSTMMJKTDML-NSHDSACASA-N 1 2 246.379 3.987 20 0 BHADLO C[C@@H](Nc1ccc([NH+](C)C)cc1)c1ccsc1 ZINC000050340559 384617405 /nfs/dbraw/zinc/61/74/05/384617405.db2.gz KVMRSTMMJKTDML-LLVKDONJSA-N 1 2 246.379 3.987 20 0 BHADLO CCc1cc(N[C@@H](CC)c2ccccc2)nc[nH+]1 ZINC000051628785 358042617 /nfs/dbraw/zinc/04/26/17/358042617.db2.gz JTYAZLZLYNRNAV-AWEZNQCLSA-N 1 2 241.338 3.602 20 0 BHADLO CCc1cc(N[C@H](CC)c2ccccc2)nc[nH+]1 ZINC000051628787 358042753 /nfs/dbraw/zinc/04/27/53/358042753.db2.gz JTYAZLZLYNRNAV-CQSZACIVSA-N 1 2 241.338 3.602 20 0 BHADLO CCn1cc[nH+]c1CNc1ccccc1C(C)C ZINC000051920767 358767225 /nfs/dbraw/zinc/76/72/25/358767225.db2.gz FVRTYHZIWIMVHL-UHFFFAOYSA-N 1 2 243.354 3.639 20 0 BHADLO CCn1cc[nH+]c1CNc1ccc(C(C)C)cc1 ZINC000051920803 358767724 /nfs/dbraw/zinc/76/77/24/358767724.db2.gz SJJXUCGAIKOEPA-UHFFFAOYSA-N 1 2 243.354 3.639 20 0 BHADLO CCn1cc[nH+]c1CNc1cccc(C(C)C)c1 ZINC000051921143 172225224 /nfs/dbraw/zinc/22/52/24/172225224.db2.gz MKNNWTPETHELNF-UHFFFAOYSA-N 1 2 243.354 3.639 20 0 BHADLO Cc1cc(NCc2cccc3ccccc32)nc[nH+]1 ZINC000052062334 178172874 /nfs/dbraw/zinc/17/28/74/178172874.db2.gz DPTSSWFUXXMXIR-UHFFFAOYSA-N 1 2 249.317 3.550 20 0 BHADLO C[C@@H](c1cc(F)ccc1F)[N@@H+](C)C/C=C/Cl ZINC000052075046 711602763 /nfs/dbraw/zinc/60/27/63/711602763.db2.gz JOHFTCQFUIEBIR-SWTNXBIASA-N 1 2 245.700 3.710 20 0 BHADLO C[C@@H](c1cc(F)ccc1F)[N@H+](C)C/C=C/Cl ZINC000052075046 711602759 /nfs/dbraw/zinc/60/27/59/711602759.db2.gz JOHFTCQFUIEBIR-SWTNXBIASA-N 1 2 245.700 3.710 20 0 BHADLO C[C@H](c1cc(F)ccc1F)[N@@H+](C)C/C=C/Cl ZINC000052075047 711603035 /nfs/dbraw/zinc/60/30/35/711603035.db2.gz JOHFTCQFUIEBIR-BSPAPZMXSA-N 1 2 245.700 3.710 20 0 BHADLO C[C@H](c1cc(F)ccc1F)[N@H+](C)C/C=C/Cl ZINC000052075047 711603032 /nfs/dbraw/zinc/60/30/32/711603032.db2.gz JOHFTCQFUIEBIR-BSPAPZMXSA-N 1 2 245.700 3.710 20 0 BHADLO C=C(Cl)C[N@H+](Cc1cccc(F)c1)C1CC1 ZINC000052161702 632090279 /nfs/dbraw/zinc/09/02/79/632090279.db2.gz GFJICLDCGAJDCN-UHFFFAOYSA-N 1 2 239.721 3.543 20 0 BHADLO C=C(Cl)C[N@@H+](Cc1cccc(F)c1)C1CC1 ZINC000052161702 632090275 /nfs/dbraw/zinc/09/02/75/632090275.db2.gz GFJICLDCGAJDCN-UHFFFAOYSA-N 1 2 239.721 3.543 20 0 BHADLO CC[C@H](Nc1cc(C)[nH+]cn1)C1CCCCC1 ZINC000052341131 387470144 /nfs/dbraw/zinc/47/01/44/387470144.db2.gz RPUNIAVDFUYKEE-ZDUSSCGKSA-N 1 2 233.359 3.556 20 0 BHADLO CC[C@@H](Nc1cc(C)[nH+]cn1)C1CCCCC1 ZINC000052341133 358156792 /nfs/dbraw/zinc/15/67/92/358156792.db2.gz RPUNIAVDFUYKEE-CYBMUJFWSA-N 1 2 233.359 3.556 20 0 BHADLO CC[C@H](Nc1cccc[nH+]1)C1CCCCC1 ZINC000052341165 358156672 /nfs/dbraw/zinc/15/66/72/358156672.db2.gz VUBHAWVSVYFWQJ-ZDUSSCGKSA-N 1 2 218.344 3.852 20 0 BHADLO CC[C@@H](Nc1cccc[nH+]1)C1CCCCC1 ZINC000052341167 358156769 /nfs/dbraw/zinc/15/67/69/358156769.db2.gz VUBHAWVSVYFWQJ-CYBMUJFWSA-N 1 2 218.344 3.852 20 0 BHADLO Cc1ccc(SCc2cc[nH+]c(N)c2)c(C)c1 ZINC000052756013 358791099 /nfs/dbraw/zinc/79/10/99/358791099.db2.gz DCSOXXHSEPZTAH-UHFFFAOYSA-N 1 2 244.363 3.573 20 0 BHADLO Cc1ccc(SCc2cc[nH+]c(N)c2)cc1C ZINC000052756122 358791494 /nfs/dbraw/zinc/79/14/94/358791494.db2.gz VHOGXYQWIZDDOL-UHFFFAOYSA-N 1 2 244.363 3.573 20 0 BHADLO Cc1ccc(C)c(SCc2cc[nH+]c(N)c2)c1 ZINC000052756184 358791588 /nfs/dbraw/zinc/79/15/88/358791588.db2.gz KPJDAGBEGOCGRM-UHFFFAOYSA-N 1 2 244.363 3.573 20 0 BHADLO C=C(Cl)C[N@H+](C)Cc1ccc(Cl)cc1 ZINC000052928244 711774931 /nfs/dbraw/zinc/77/49/31/711774931.db2.gz AJHSOLNUSCZTSI-UHFFFAOYSA-N 1 2 230.138 3.524 20 0 BHADLO C=C(Cl)C[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000052928244 711774930 /nfs/dbraw/zinc/77/49/30/711774930.db2.gz AJHSOLNUSCZTSI-UHFFFAOYSA-N 1 2 230.138 3.524 20 0 BHADLO C=C(Cl)C[N@H+](C)Cc1cccc(Cl)c1 ZINC000052928267 711774892 /nfs/dbraw/zinc/77/48/92/711774892.db2.gz RIYMPDQENFSPRR-UHFFFAOYSA-N 1 2 230.138 3.524 20 0 BHADLO C=C(Cl)C[N@@H+](C)Cc1cccc(Cl)c1 ZINC000052928267 711774890 /nfs/dbraw/zinc/77/48/90/711774890.db2.gz RIYMPDQENFSPRR-UHFFFAOYSA-N 1 2 230.138 3.524 20 0 BHADLO CC(C)=CC[NH+](Cc1ccco1)Cc1ccco1 ZINC000053138226 358104807 /nfs/dbraw/zinc/10/48/07/358104807.db2.gz BEQPSIMFCICCEJ-UHFFFAOYSA-N 1 2 245.322 3.841 20 0 BHADLO COc1ccc([NH2+][C@@H](C)C2CCCC2)c(OC)c1 ZINC000054077294 635344552 /nfs/dbraw/zinc/34/45/52/635344552.db2.gz LIIFVQHPAWLMJZ-NSHDSACASA-N 1 2 249.354 3.694 20 0 BHADLO COc1ccc([NH2+][C@H](C)C2CCCC2)c(OC)c1 ZINC000054077295 635345778 /nfs/dbraw/zinc/34/57/78/635345778.db2.gz LIIFVQHPAWLMJZ-LLVKDONJSA-N 1 2 249.354 3.694 20 0 BHADLO C[C@H]([NH2+]c1ccc(N(C)C)cc1)C1CCCC1 ZINC000054078416 635345940 /nfs/dbraw/zinc/34/59/40/635345940.db2.gz KSUNADIJCOSDRN-LBPRGKRZSA-N 1 2 232.371 3.743 20 0 BHADLO C[C@@H]([NH2+]c1ccc(N(C)C)cc1)C1CCCC1 ZINC000054078417 635345495 /nfs/dbraw/zinc/34/54/95/635345495.db2.gz KSUNADIJCOSDRN-GFCCVEGCSA-N 1 2 232.371 3.743 20 0 BHADLO C[N@@H+](C/C=C/Cl)Cc1ccccc1Cl ZINC000054114464 643666127 /nfs/dbraw/zinc/66/61/27/643666127.db2.gz CKCIHOHTBTWXBX-QPJJXVBHSA-N 1 2 230.138 3.524 20 0 BHADLO C[N@H+](C/C=C/Cl)Cc1ccccc1Cl ZINC000054114464 643666122 /nfs/dbraw/zinc/66/61/22/643666122.db2.gz CKCIHOHTBTWXBX-QPJJXVBHSA-N 1 2 230.138 3.524 20 0 BHADLO Cc1nc(N[C@H](C)c2cccc(Cl)c2)cc[nH+]1 ZINC000054936038 180206544 /nfs/dbraw/zinc/20/65/44/180206544.db2.gz KTVCWXISDSXHDK-SECBINFHSA-N 1 2 247.729 3.612 20 0 BHADLO CCCCCC[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC000054936215 640424188 /nfs/dbraw/zinc/42/41/88/640424188.db2.gz RZQPKZQFAJULHF-LLVKDONJSA-N 1 2 221.348 3.556 20 0 BHADLO CCCCCC[C@H](C)Nc1cc[nH+]c(C)n1 ZINC000054936216 640423487 /nfs/dbraw/zinc/42/34/87/640423487.db2.gz RZQPKZQFAJULHF-NSHDSACASA-N 1 2 221.348 3.556 20 0 BHADLO Cc1cc([C@@H](C)Nc2cc[nH+]c(C)n2)c(C)s1 ZINC000054936248 180206074 /nfs/dbraw/zinc/20/60/74/180206074.db2.gz FPRFLXCGMZZVPI-SECBINFHSA-N 1 2 247.367 3.636 20 0 BHADLO Cc1cc([C@H](C)Nc2cc[nH+]c(C)n2)c(C)s1 ZINC000054936251 180203683 /nfs/dbraw/zinc/20/36/83/180203683.db2.gz FPRFLXCGMZZVPI-VIFPVBQESA-N 1 2 247.367 3.636 20 0 BHADLO Cc1nc(N[C@@H](C)c2ccccc2Cl)cc[nH+]1 ZINC000054936253 358879850 /nfs/dbraw/zinc/87/98/50/358879850.db2.gz SOPHKIQPNRCLKA-VIFPVBQESA-N 1 2 247.729 3.612 20 0 BHADLO Cc1nc(N[C@H](C)c2ccccc2Cl)cc[nH+]1 ZINC000054936254 358879854 /nfs/dbraw/zinc/87/98/54/358879854.db2.gz SOPHKIQPNRCLKA-SECBINFHSA-N 1 2 247.729 3.612 20 0 BHADLO CCCC1CCC(Nc2cc[nH+]c(C)n2)CC1 ZINC000054936283 358879773 /nfs/dbraw/zinc/87/97/73/358879773.db2.gz PKWHQIPSANTBKF-UHFFFAOYSA-N 1 2 233.359 3.556 20 0 BHADLO Cc1nc(NCc2ccc(C(C)C)cc2)cc[nH+]1 ZINC000054936401 180200619 /nfs/dbraw/zinc/20/06/19/180200619.db2.gz WTDBBGWMUDMLNA-UHFFFAOYSA-N 1 2 241.338 3.521 20 0 BHADLO Cc1nc(NCc2cccc3ccccc32)cc[nH+]1 ZINC000054936531 180201419 /nfs/dbraw/zinc/20/14/19/180201419.db2.gz PWWQQEUNPZVAMG-UHFFFAOYSA-N 1 2 249.317 3.550 20 0 BHADLO CC[C@H](Nc1cc[nH+]c(C)n1)C1CCCCC1 ZINC000054936560 345785014 /nfs/dbraw/zinc/78/50/14/345785014.db2.gz WURPNKSYBCBWFJ-ZDUSSCGKSA-N 1 2 233.359 3.556 20 0 BHADLO CC[C@@H](Nc1cc[nH+]c(C)n1)C1CCCCC1 ZINC000054936562 345785470 /nfs/dbraw/zinc/78/54/70/345785470.db2.gz WURPNKSYBCBWFJ-CYBMUJFWSA-N 1 2 233.359 3.556 20 0 BHADLO Cc1ccsc1CNc1ccc([NH+](C)C)cc1 ZINC000057611180 384957063 /nfs/dbraw/zinc/95/70/63/384957063.db2.gz BUWVGPDROWBRHN-UHFFFAOYSA-N 1 2 246.379 3.735 20 0 BHADLO C=C(Cl)C[N@H+](Cc1ccc(F)cc1)C1CC1 ZINC000057621149 640625922 /nfs/dbraw/zinc/62/59/22/640625922.db2.gz GXKXOAXHFANGRR-UHFFFAOYSA-N 1 2 239.721 3.543 20 0 BHADLO C=C(Cl)C[N@@H+](Cc1ccc(F)cc1)C1CC1 ZINC000057621149 640625917 /nfs/dbraw/zinc/62/59/17/640625917.db2.gz GXKXOAXHFANGRR-UHFFFAOYSA-N 1 2 239.721 3.543 20 0 BHADLO Cc1cc([NH+](C)C)ccc1NCc1cccs1 ZINC000057667907 178094749 /nfs/dbraw/zinc/09/47/49/178094749.db2.gz KKWXFGHTKCWLCL-UHFFFAOYSA-N 1 2 246.379 3.735 20 0 BHADLO Cc1ccc(CNc2ccc([NH+](C)C)cc2C)o1 ZINC000057667916 384955716 /nfs/dbraw/zinc/95/57/16/384955716.db2.gz PWZOJMGNUTZJFP-UHFFFAOYSA-N 1 2 244.338 3.575 20 0 BHADLO Cc1cc([NH+](C)C)ccc1NCc1ccsc1 ZINC000057667924 178095053 /nfs/dbraw/zinc/09/50/53/178095053.db2.gz DOCYVVIHSLTZPF-UHFFFAOYSA-N 1 2 246.379 3.735 20 0 BHADLO Cc1cc([NH+](C)C)ccc1NCc1ccccc1 ZINC000057667953 371886155 /nfs/dbraw/zinc/88/61/55/371886155.db2.gz UMMVHWSYDZAZSG-UHFFFAOYSA-N 1 2 240.350 3.673 20 0 BHADLO CC(C)C[NH2+]c1ccc(N2CCCCC2)cc1 ZINC000057707849 535171366 /nfs/dbraw/zinc/17/13/66/535171366.db2.gz ZGVHEDSBSQJBIB-UHFFFAOYSA-N 1 2 232.371 3.745 20 0 BHADLO c1cc(CNc2ccc3ccccc3[nH+]2)cs1 ZINC000057998091 386281669 /nfs/dbraw/zinc/28/16/69/386281669.db2.gz INZOMLACYIRHFE-UHFFFAOYSA-N 1 2 240.331 3.908 20 0 BHADLO Cc1cc(NCc2ccsc2)nc(C(C)C)[nH+]1 ZINC000058000557 178175253 /nfs/dbraw/zinc/17/52/53/178175253.db2.gz DELNGGPEQSNPQW-UHFFFAOYSA-N 1 2 247.367 3.582 20 0 BHADLO Cc1ccc(CNc2ccc3ccccc3[nH+]2)cn1 ZINC000058002796 350143139 /nfs/dbraw/zinc/14/31/39/350143139.db2.gz WJSKFOPXPLCLNP-UHFFFAOYSA-N 1 2 249.317 3.550 20 0 BHADLO C[NH+](C)c1ccc(NCc2cccc(F)c2)cc1 ZINC000058479058 172557389 /nfs/dbraw/zinc/55/73/89/172557389.db2.gz XZUSLGYJMBRYLW-UHFFFAOYSA-N 1 2 244.313 3.504 20 0 BHADLO C#CC[N@H+](C)[C@@H](C)c1ccc(Cl)cc1Cl ZINC000058919105 640762232 /nfs/dbraw/zinc/76/22/32/640762232.db2.gz DJNDAQYWILMBQL-VIFPVBQESA-N 1 2 242.149 3.619 20 0 BHADLO C#CC[N@@H+](C)[C@@H](C)c1ccc(Cl)cc1Cl ZINC000058919105 640762228 /nfs/dbraw/zinc/76/22/28/640762228.db2.gz DJNDAQYWILMBQL-VIFPVBQESA-N 1 2 242.149 3.619 20 0 BHADLO C#CC[N@H+](C)[C@H](C)c1ccc(Cl)cc1Cl ZINC000058919108 640761781 /nfs/dbraw/zinc/76/17/81/640761781.db2.gz DJNDAQYWILMBQL-SECBINFHSA-N 1 2 242.149 3.619 20 0 BHADLO C#CC[N@@H+](C)[C@H](C)c1ccc(Cl)cc1Cl ZINC000058919108 640761779 /nfs/dbraw/zinc/76/17/79/640761779.db2.gz DJNDAQYWILMBQL-SECBINFHSA-N 1 2 242.149 3.619 20 0 BHADLO Clc1ccc(Cl)c(C[N@@H+]2CC=CCC2)c1 ZINC000059406290 488169518 /nfs/dbraw/zinc/16/95/18/488169518.db2.gz SAQRRJJNEYCIBU-UHFFFAOYSA-N 1 2 242.149 3.755 20 0 BHADLO Clc1ccc(Cl)c(C[N@H+]2CC=CCC2)c1 ZINC000059406290 488169510 /nfs/dbraw/zinc/16/95/10/488169510.db2.gz SAQRRJJNEYCIBU-UHFFFAOYSA-N 1 2 242.149 3.755 20 0 BHADLO Clc1ccc(C[N@@H+]2CC=CCC2)c(Cl)c1 ZINC000059406299 488170163 /nfs/dbraw/zinc/17/01/63/488170163.db2.gz OSTRXLOVAQEWBE-UHFFFAOYSA-N 1 2 242.149 3.755 20 0 BHADLO Clc1ccc(C[N@H+]2CC=CCC2)c(Cl)c1 ZINC000059406299 488170161 /nfs/dbraw/zinc/17/01/61/488170161.db2.gz OSTRXLOVAQEWBE-UHFFFAOYSA-N 1 2 242.149 3.755 20 0 BHADLO Clc1ccc(C[N@@H+]2CC=CCC2)cc1Cl ZINC000059406304 488170213 /nfs/dbraw/zinc/17/02/13/488170213.db2.gz QBTWAGXYIQNBOF-UHFFFAOYSA-N 1 2 242.149 3.755 20 0 BHADLO Clc1ccc(C[N@H+]2CC=CCC2)cc1Cl ZINC000059406304 488170212 /nfs/dbraw/zinc/17/02/12/488170212.db2.gz QBTWAGXYIQNBOF-UHFFFAOYSA-N 1 2 242.149 3.755 20 0 BHADLO Clc1cc(Cl)cc(C[N@@H+]2CC=CCC2)c1 ZINC000059406309 488169877 /nfs/dbraw/zinc/16/98/77/488169877.db2.gz AMFAEDPBPANVPE-UHFFFAOYSA-N 1 2 242.149 3.755 20 0 BHADLO Clc1cc(Cl)cc(C[N@H+]2CC=CCC2)c1 ZINC000059406309 488169875 /nfs/dbraw/zinc/16/98/75/488169875.db2.gz AMFAEDPBPANVPE-UHFFFAOYSA-N 1 2 242.149 3.755 20 0 BHADLO CCc1ccc(CNc2ccc([NH+](C)C)cc2)o1 ZINC000060392660 385084432 /nfs/dbraw/zinc/08/44/32/385084432.db2.gz ARLSDABMTFDSTA-UHFFFAOYSA-N 1 2 244.338 3.520 20 0 BHADLO C[C@@H](CCNc1cccc[nH+]1)c1ccccc1 ZINC000060394068 386401359 /nfs/dbraw/zinc/40/13/59/386401359.db2.gz PDIWTVQGQWCVOS-ZDUSSCGKSA-N 1 2 226.323 3.687 20 0 BHADLO C[C@H](CCNc1cccc[nH+]1)c1ccccc1 ZINC000060394069 386400549 /nfs/dbraw/zinc/40/05/49/386400549.db2.gz PDIWTVQGQWCVOS-CYBMUJFWSA-N 1 2 226.323 3.687 20 0 BHADLO CN(Cc1ccc2ccccc2c1)c1cccc[nH+]1 ZINC000060462511 369485036 /nfs/dbraw/zinc/48/50/36/369485036.db2.gz XMGICBLVZUCJMJ-UHFFFAOYSA-N 1 2 248.329 3.871 20 0 BHADLO C[C@@H]1CCC[C@H](/[NH+]=C/c2ccccc2O)[C@@H]1C ZINC000060803223 640889680 /nfs/dbraw/zinc/88/96/80/640889680.db2.gz PRXUNVZSNPXTGN-CUYRWBLWSA-N 1 2 231.339 3.636 20 0 BHADLO C[C@H](C/[NH+]=C/c1ccccc1O)c1ccccc1 ZINC000060804054 711835664 /nfs/dbraw/zinc/83/56/64/711835664.db2.gz DZUFFXWXZUYUDK-LVLBFHFTSA-N 1 2 239.318 3.615 20 0 BHADLO Cc1ccc(SCCNc2cccc[nH+]2)cc1 ZINC000061173112 343723505 /nfs/dbraw/zinc/72/35/05/343723505.db2.gz SWBVHLBIBKFVMW-UHFFFAOYSA-N 1 2 244.363 3.594 20 0 BHADLO COc1ccc(C)cc1[C@@H](C)Nc1cccc[nH+]1 ZINC000061173369 368561099 /nfs/dbraw/zinc/56/10/99/368561099.db2.gz HYCNWVIORBKIAE-GFCCVEGCSA-N 1 2 242.322 3.572 20 0 BHADLO c1cc2c(s1)CCC[C@H]2Nc1cccc[nH+]1 ZINC000061364199 385111848 /nfs/dbraw/zinc/11/18/48/385111848.db2.gz LEUOINBCUVYFNW-LLVKDONJSA-N 1 2 230.336 3.633 20 0 BHADLO c1cc2c(s1)CCC[C@@H]2Nc1cccc[nH+]1 ZINC000061364200 385113562 /nfs/dbraw/zinc/11/35/62/385113562.db2.gz LEUOINBCUVYFNW-NSHDSACASA-N 1 2 230.336 3.633 20 0 BHADLO CCCCC[NH2+]c1ccc(OC)cc1C ZINC000061566021 385123519 /nfs/dbraw/zinc/12/35/19/385123519.db2.gz LOFOLCXEBAVIHZ-UHFFFAOYSA-N 1 2 207.317 3.606 20 0 BHADLO CC(C)(C)CCNc1cccc(-n2cc[nH+]c2)c1 ZINC000061839202 387847732 /nfs/dbraw/zinc/84/77/32/387847732.db2.gz PPMBIHYWTGYGMH-UHFFFAOYSA-N 1 2 243.354 3.720 20 0 BHADLO CC(C)(C)CCNc1ccc(N2CCCC2)[nH+]c1 ZINC000061839250 322859050 /nfs/dbraw/zinc/85/90/50/322859050.db2.gz YCXSSGUQVNMPOJ-UHFFFAOYSA-N 1 2 247.386 3.530 20 0 BHADLO FC(F)(F)CCNc1ccc2ccccc2[nH+]1 ZINC000063100654 357526713 /nfs/dbraw/zinc/52/67/13/357526713.db2.gz JLGGKSWSFDTBIE-UHFFFAOYSA-N 1 2 240.228 3.599 20 0 BHADLO Cc1cc2ccccc2[nH+]c1NCc1ccco1 ZINC000063105572 178298679 /nfs/dbraw/zinc/29/86/79/178298679.db2.gz SERBTSVAOUFNFH-UHFFFAOYSA-N 1 2 238.290 3.748 20 0 BHADLO Cc1cc2ccccc2[nH+]c1NCC(C)C ZINC000063105582 178298594 /nfs/dbraw/zinc/29/85/94/178298594.db2.gz NEMUEUNNDFFJJF-UHFFFAOYSA-N 1 2 214.312 3.611 20 0 BHADLO Cc1cc2ccccc2[nH+]c1NC1CCCC1 ZINC000063105584 178299235 /nfs/dbraw/zinc/29/92/35/178299235.db2.gz DACGGSJCFZJKJE-UHFFFAOYSA-N 1 2 226.323 3.898 20 0 BHADLO Cc1cc2ccccc2[nH+]c1NCc1ccccn1 ZINC000063105644 178298289 /nfs/dbraw/zinc/29/82/89/178298289.db2.gz KTSCYDLQIVXAAH-UHFFFAOYSA-N 1 2 249.317 3.550 20 0 BHADLO Cc1cc2ccccc2[nH+]c1NCc1cccnc1 ZINC000063105666 178298311 /nfs/dbraw/zinc/29/83/11/178298311.db2.gz XSSPVBPLUBTKKP-UHFFFAOYSA-N 1 2 249.317 3.550 20 0 BHADLO Cc1cc2ccccc2[nH+]c1NC1CCC1 ZINC000063106141 323099213 /nfs/dbraw/zinc/09/92/13/323099213.db2.gz AFPAQHFOCXRNLM-UHFFFAOYSA-N 1 2 212.296 3.508 20 0 BHADLO CCOc1cccc([C@H](C)Nc2cccc[nH+]2)c1 ZINC000063282262 368582943 /nfs/dbraw/zinc/58/29/43/368582943.db2.gz DICVADATSOUGHJ-LBPRGKRZSA-N 1 2 242.322 3.653 20 0 BHADLO Cc1cccc(C(C)(C)CNc2cccc[nH+]2)c1 ZINC000063283040 342841118 /nfs/dbraw/zinc/84/11/18/342841118.db2.gz GWNGWIADQCQGIR-UHFFFAOYSA-N 1 2 240.350 3.780 20 0 BHADLO CC(C)c1ccc(SCc2[nH+]ccn2C)cc1 ZINC000064653398 368611518 /nfs/dbraw/zinc/61/15/18/368611518.db2.gz USKZMSRXOURNKL-UHFFFAOYSA-N 1 2 246.379 3.836 20 0 BHADLO CC(C)C[N@@H+](C)c1cccc2ccccc21 ZINC000065590654 323154395 /nfs/dbraw/zinc/15/43/95/323154395.db2.gz VEYRKDZNFZKPFK-UHFFFAOYSA-N 1 2 213.324 3.932 20 0 BHADLO CC(C)C[N@H+](C)c1cccc2ccccc21 ZINC000065590654 323154394 /nfs/dbraw/zinc/15/43/94/323154394.db2.gz VEYRKDZNFZKPFK-UHFFFAOYSA-N 1 2 213.324 3.932 20 0 BHADLO C[C@H](Nc1cccc[nH+]1)c1ccc(F)cc1F ZINC000067948578 368707052 /nfs/dbraw/zinc/70/70/52/368707052.db2.gz VJFXWNWPSVPNMO-VIFPVBQESA-N 1 2 234.249 3.533 20 0 BHADLO C[C@@H](Nc1cccc[nH+]1)c1ccc(F)cc1F ZINC000067948579 368707033 /nfs/dbraw/zinc/70/70/33/368707033.db2.gz VJFXWNWPSVPNMO-SECBINFHSA-N 1 2 234.249 3.533 20 0 BHADLO CCOc1cccc([C@@H](C)Nc2cccc[nH+]2)c1 ZINC000068824049 368737351 /nfs/dbraw/zinc/73/73/51/368737351.db2.gz DICVADATSOUGHJ-GFCCVEGCSA-N 1 2 242.322 3.653 20 0 BHADLO CSCCCNc1[nH+]c2ccccc2cc1C ZINC000069443926 384142410 /nfs/dbraw/zinc/14/24/10/384142410.db2.gz CBIADAVJAFKJQJ-UHFFFAOYSA-N 1 2 246.379 3.708 20 0 BHADLO Cc1cc[nH+]cc1NCc1ccc2ncccc2c1 ZINC000069502090 343283314 /nfs/dbraw/zinc/28/33/14/343283314.db2.gz OPIGNILKSXNEAD-UHFFFAOYSA-N 1 2 249.317 3.550 20 0 BHADLO Cc1cc(N[C@@H](C)CC2CC2)nc(C(C)C)[nH+]1 ZINC000070103054 359042113 /nfs/dbraw/zinc/04/21/13/359042113.db2.gz ZZAHEWHKIMIAPX-JTQLQIEISA-N 1 2 233.359 3.509 20 0 BHADLO Cc1cc(N[C@H](C)CC2CC2)nc(C(C)C)[nH+]1 ZINC000070103055 359042213 /nfs/dbraw/zinc/04/22/13/359042213.db2.gz ZZAHEWHKIMIAPX-SNVBAGLBSA-N 1 2 233.359 3.509 20 0 BHADLO Cc1ccc(Cl)cc1N[C@@H](C)c1[nH+]ccn1C ZINC000070443218 387066095 /nfs/dbraw/zinc/06/60/95/387066095.db2.gz ZQQUEZDPRYRTTN-JTQLQIEISA-N 1 2 249.745 3.555 20 0 BHADLO Cc1ccc(Cl)cc1N[C@H](C)c1[nH+]ccn1C ZINC000070443219 387065821 /nfs/dbraw/zinc/06/58/21/387065821.db2.gz ZQQUEZDPRYRTTN-SNVBAGLBSA-N 1 2 249.745 3.555 20 0 BHADLO Cc1ccc(N[C@@H](C)c2[nH+]ccn2C)cc1Cl ZINC000070443242 387066243 /nfs/dbraw/zinc/06/62/43/387066243.db2.gz ZPFOEMNJTBAESV-JTQLQIEISA-N 1 2 249.745 3.555 20 0 BHADLO Cc1ccc(N[C@H](C)c2[nH+]ccn2C)cc1Cl ZINC000070443243 387064729 /nfs/dbraw/zinc/06/47/29/387064729.db2.gz ZPFOEMNJTBAESV-SNVBAGLBSA-N 1 2 249.745 3.555 20 0 BHADLO Cc1c(Cl)cccc1N[C@@H](C)c1[nH+]ccn1C ZINC000070443284 387065878 /nfs/dbraw/zinc/06/58/78/387065878.db2.gz FPMUFBGQLOJABM-JTQLQIEISA-N 1 2 249.745 3.555 20 0 BHADLO Cc1c(Cl)cccc1N[C@H](C)c1[nH+]ccn1C ZINC000070443285 177601789 /nfs/dbraw/zinc/60/17/89/177601789.db2.gz FPMUFBGQLOJABM-SNVBAGLBSA-N 1 2 249.745 3.555 20 0 BHADLO CC(C)c1ccc(N[C@@H](C)c2[nH+]ccn2C)cc1 ZINC000070443352 359052984 /nfs/dbraw/zinc/05/29/84/359052984.db2.gz XWFRDDPOEWCCRN-LBPRGKRZSA-N 1 2 243.354 3.717 20 0 BHADLO CC(C)c1ccc(N[C@H](C)c2[nH+]ccn2C)cc1 ZINC000070443353 134917624 /nfs/dbraw/zinc/91/76/24/134917624.db2.gz XWFRDDPOEWCCRN-GFCCVEGCSA-N 1 2 243.354 3.717 20 0 BHADLO Cc1cc(Cl)ccc1N[C@@H](C)c1[nH+]ccn1C ZINC000070443484 359054799 /nfs/dbraw/zinc/05/47/99/359054799.db2.gz HAQRMHURIHNKER-JTQLQIEISA-N 1 2 249.745 3.555 20 0 BHADLO Cc1cc(Cl)ccc1N[C@H](C)c1[nH+]ccn1C ZINC000070443485 359054520 /nfs/dbraw/zinc/05/45/20/359054520.db2.gz HAQRMHURIHNKER-SNVBAGLBSA-N 1 2 249.745 3.555 20 0 BHADLO CC(C)c1cccc(N[C@@H](C)c2[nH+]ccn2C)c1 ZINC000070443614 359054013 /nfs/dbraw/zinc/05/40/13/359054013.db2.gz OHWXLHOOQZIQRO-LBPRGKRZSA-N 1 2 243.354 3.717 20 0 BHADLO CC(C)c1cccc(N[C@H](C)c2[nH+]ccn2C)c1 ZINC000070443615 359053997 /nfs/dbraw/zinc/05/39/97/359053997.db2.gz OHWXLHOOQZIQRO-GFCCVEGCSA-N 1 2 243.354 3.717 20 0 BHADLO Cc1ccc(N[C@@H](C)c2[nH+]ccn2C)c(Cl)c1 ZINC000070443758 387068165 /nfs/dbraw/zinc/06/81/65/387068165.db2.gz DHAXHBOEBHMKLI-JTQLQIEISA-N 1 2 249.745 3.555 20 0 BHADLO Cc1ccc(N[C@H](C)c2[nH+]ccn2C)c(Cl)c1 ZINC000070443759 387068517 /nfs/dbraw/zinc/06/85/17/387068517.db2.gz DHAXHBOEBHMKLI-SNVBAGLBSA-N 1 2 249.745 3.555 20 0 BHADLO C[C@@H]1CCC[C@H](CCNc2cccc[nH+]2)C1 ZINC000070559907 323200181 /nfs/dbraw/zinc/20/01/81/323200181.db2.gz GBUVBKODZFASJH-CHWSQXEVSA-N 1 2 218.344 3.710 20 0 BHADLO C[C@H]1CCC[C@H](CCNc2cccc[nH+]2)C1 ZINC000070559908 323200107 /nfs/dbraw/zinc/20/01/07/323200107.db2.gz GBUVBKODZFASJH-QWHCGFSZSA-N 1 2 218.344 3.710 20 0 BHADLO C[C@@H]1CCC[C@@H](CCNc2cccc[nH+]2)C1 ZINC000070559909 323200150 /nfs/dbraw/zinc/20/01/50/323200150.db2.gz GBUVBKODZFASJH-OLZOCXBDSA-N 1 2 218.344 3.710 20 0 BHADLO C[C@H]1CCC[C@@H](CCNc2cccc[nH+]2)C1 ZINC000070559910 323200455 /nfs/dbraw/zinc/20/04/55/323200455.db2.gz GBUVBKODZFASJH-STQMWFEESA-N 1 2 218.344 3.710 20 0 BHADLO COc1cc(C)ccc1[NH2+][C@@H]1CC[C@H](C)C1 ZINC000070761713 325029658 /nfs/dbraw/zinc/02/96/58/325029658.db2.gz SYCZFWRUGOIIMG-CMPLNLGQSA-N 1 2 219.328 3.604 20 0 BHADLO COc1cc(C)ccc1[NH2+][C@H]1CC[C@H](C)C1 ZINC000070761714 325029734 /nfs/dbraw/zinc/02/97/34/325029734.db2.gz SYCZFWRUGOIIMG-JQWIXIFHSA-N 1 2 219.328 3.604 20 0 BHADLO COc1cc(C)ccc1[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000070761716 325029784 /nfs/dbraw/zinc/02/97/84/325029784.db2.gz SYCZFWRUGOIIMG-ZYHUDNBSSA-N 1 2 219.328 3.604 20 0 BHADLO COc1cc(C)ccc1[NH2+][C@H]1CC[C@@H](C)C1 ZINC000070761718 325029497 /nfs/dbraw/zinc/02/94/97/325029497.db2.gz SYCZFWRUGOIIMG-PWSUYJOCSA-N 1 2 219.328 3.604 20 0 BHADLO Cc1cc[nH+]cc1NCc1ccccc1Cl ZINC000070957384 387121225 /nfs/dbraw/zinc/12/12/25/387121225.db2.gz PZBBYDTVJHTNSW-UHFFFAOYSA-N 1 2 232.714 3.656 20 0 BHADLO Cc1cc[nH+]cc1NCc1ccc(Cl)cc1 ZINC000070957393 385653156 /nfs/dbraw/zinc/65/31/56/385653156.db2.gz AYBKUSOIIOSQMQ-UHFFFAOYSA-N 1 2 232.714 3.656 20 0 BHADLO Cc1cc[nH+]cc1NCc1cccc(Cl)c1 ZINC000070958053 387119786 /nfs/dbraw/zinc/11/97/86/387119786.db2.gz XIGSZNXOOOTJCQ-UHFFFAOYSA-N 1 2 232.714 3.656 20 0 BHADLO Cc1cc[nH+]cc1NCc1ccc(Cl)s1 ZINC000070958262 383971481 /nfs/dbraw/zinc/97/14/81/383971481.db2.gz JNXYTNAGEYKOFG-UHFFFAOYSA-N 1 2 238.743 3.717 20 0 BHADLO CCc1ccc(CNc2c[nH+]ccc2C)s1 ZINC000070958473 325047445 /nfs/dbraw/zinc/04/74/45/325047445.db2.gz ZHDGVBJHDJHLCT-UHFFFAOYSA-N 1 2 232.352 3.626 20 0 BHADLO Cc1cc(CNc2c[nH+]ccc2C)c(C)s1 ZINC000070958683 325047401 /nfs/dbraw/zinc/04/74/01/325047401.db2.gz ISMMDIXEWWUZGM-UHFFFAOYSA-N 1 2 232.352 3.680 20 0 BHADLO Cc1cc(N[C@@H]2CCC[C@@H]2C)nc(C(C)C)[nH+]1 ZINC000071208308 387096580 /nfs/dbraw/zinc/09/65/80/387096580.db2.gz XNXOAACFFOFSRQ-CMPLNLGQSA-N 1 2 233.359 3.509 20 0 BHADLO Cc1cc(N[C@H]2CCC[C@@H]2C)nc(C(C)C)[nH+]1 ZINC000071208309 178189075 /nfs/dbraw/zinc/18/90/75/178189075.db2.gz XNXOAACFFOFSRQ-JQWIXIFHSA-N 1 2 233.359 3.509 20 0 BHADLO Cc1cc(N[C@@H]2CCC[C@H]2C)nc(C(C)C)[nH+]1 ZINC000071208310 387096488 /nfs/dbraw/zinc/09/64/88/387096488.db2.gz XNXOAACFFOFSRQ-ZYHUDNBSSA-N 1 2 233.359 3.509 20 0 BHADLO Cc1cc(N[C@H]2CCC[C@H]2C)nc(C(C)C)[nH+]1 ZINC000071208311 178188223 /nfs/dbraw/zinc/18/82/23/178188223.db2.gz XNXOAACFFOFSRQ-PWSUYJOCSA-N 1 2 233.359 3.509 20 0 BHADLO C[C@@H]1CCC[C@@H]1Nc1ccc2ccccc2[nH+]1 ZINC000071208388 176132798 /nfs/dbraw/zinc/13/27/98/176132798.db2.gz FSBAALPZWNKHEW-YPMHNXCESA-N 1 2 226.323 3.835 20 0 BHADLO C[C@H]1CCC[C@@H]1Nc1ccc2ccccc2[nH+]1 ZINC000071208389 177127106 /nfs/dbraw/zinc/12/71/06/177127106.db2.gz FSBAALPZWNKHEW-AAEUAGOBSA-N 1 2 226.323 3.835 20 0 BHADLO C[C@@H]1CCC[C@H]1Nc1ccc2ccccc2[nH+]1 ZINC000071208390 176151569 /nfs/dbraw/zinc/15/15/69/176151569.db2.gz FSBAALPZWNKHEW-DGCLKSJQSA-N 1 2 226.323 3.835 20 0 BHADLO C[C@H]1CCC[C@H]1Nc1ccc2ccccc2[nH+]1 ZINC000071208391 177142811 /nfs/dbraw/zinc/14/28/11/177142811.db2.gz FSBAALPZWNKHEW-WCQYABFASA-N 1 2 226.323 3.835 20 0 BHADLO Cc1cccnc1CNc1ccc2ccccc2[nH+]1 ZINC000071344475 179385251 /nfs/dbraw/zinc/38/52/51/179385251.db2.gz UZZCIBPWPNJONT-UHFFFAOYSA-N 1 2 249.317 3.550 20 0 BHADLO Cc1ccc(CNc2c[nH+]ccc2C)c(C)c1 ZINC000071412952 359079533 /nfs/dbraw/zinc/07/95/33/359079533.db2.gz REJKMSYXZUHKGM-UHFFFAOYSA-N 1 2 226.323 3.619 20 0 BHADLO CCc1ccc(CNc2c[nH+]ccc2C)cc1 ZINC000071413067 387122644 /nfs/dbraw/zinc/12/26/44/387122644.db2.gz CTRGVEILBYLQEU-UHFFFAOYSA-N 1 2 226.323 3.565 20 0 BHADLO Cc1cc(C)c(CNc2c[nH+]ccc2C)c(C)c1 ZINC000071413072 388891136 /nfs/dbraw/zinc/89/11/36/388891136.db2.gz KWXNGYQGOXFNCI-UHFFFAOYSA-N 1 2 240.350 3.927 20 0 BHADLO Cc1cc[nH+]cc1N[C@@H](C)CCc1ccccc1 ZINC000071413373 325073752 /nfs/dbraw/zinc/07/37/52/325073752.db2.gz NVFKMFFATBUNIO-AWEZNQCLSA-N 1 2 240.350 3.823 20 0 BHADLO Cc1cc[nH+]cc1N[C@H](C)CCc1ccccc1 ZINC000071413374 325073842 /nfs/dbraw/zinc/07/38/42/325073842.db2.gz NVFKMFFATBUNIO-CQSZACIVSA-N 1 2 240.350 3.823 20 0 BHADLO Cc1cc[nH+]cc1NCc1cc2ccccc2o1 ZINC000071413565 359079479 /nfs/dbraw/zinc/07/94/79/359079479.db2.gz OVGDKFUOFOYRQM-UHFFFAOYSA-N 1 2 238.290 3.748 20 0 BHADLO Cc1cc[nH+]cc1NCc1cccc2cccnc21 ZINC000071413571 343350226 /nfs/dbraw/zinc/35/02/26/343350226.db2.gz OMICUOJVNNNCSE-UHFFFAOYSA-N 1 2 249.317 3.550 20 0 BHADLO CSc1ccc(CNc2c[nH+]ccc2C)cc1 ZINC000071413587 188086404 /nfs/dbraw/zinc/08/64/04/188086404.db2.gz NWKXEFNWEOTTJN-UHFFFAOYSA-N 1 2 244.363 3.724 20 0 BHADLO Cc1cc[nH+]cc1NCc1cc(C)c(C)cc1C ZINC000071413780 325073958 /nfs/dbraw/zinc/07/39/58/325073958.db2.gz BOQXMYSEWSBOPR-UHFFFAOYSA-N 1 2 240.350 3.927 20 0 BHADLO Cc1ccc(CNc2c[nH+]ccc2C)cc1C ZINC000071413793 387123226 /nfs/dbraw/zinc/12/32/26/387123226.db2.gz QLHLKYMSRQDQHY-UHFFFAOYSA-N 1 2 226.323 3.619 20 0 BHADLO Cc1cc[nH+]cc1NCc1cccc2cnccc21 ZINC000071413873 490262177 /nfs/dbraw/zinc/26/21/77/490262177.db2.gz KYCYPKIPMBVRQK-UHFFFAOYSA-N 1 2 249.317 3.550 20 0 BHADLO Cc1cc[nH+]cc1NCc1cccc(C)c1C ZINC000071413914 387122949 /nfs/dbraw/zinc/12/29/49/387122949.db2.gz HYQVZUFZKBYNAR-UHFFFAOYSA-N 1 2 226.323 3.619 20 0 BHADLO Cc1cc(C)cc(CNc2c[nH+]ccc2C)c1 ZINC000071413922 387122086 /nfs/dbraw/zinc/12/20/86/387122086.db2.gz VFQPOHHEHZKLLS-UHFFFAOYSA-N 1 2 226.323 3.619 20 0 BHADLO c1c(CSC2CCCCC2)[nH+]c2ccccn12 ZINC000071798012 384708275 /nfs/dbraw/zinc/70/82/75/384708275.db2.gz XNECHCMAPGEXCI-UHFFFAOYSA-N 1 2 246.379 3.900 20 0 BHADLO c1c(CSC2CCCC2)[nH+]c2ccccn12 ZINC000072634937 325162585 /nfs/dbraw/zinc/16/25/85/325162585.db2.gz NTYNGINYPSSRFI-UHFFFAOYSA-N 1 2 232.352 3.510 20 0 BHADLO c1c(CSc2ccccc2)[nH+]c2ccccn12 ZINC000072644977 325163305 /nfs/dbraw/zinc/16/33/05/325163305.db2.gz FMKDKFRSOWHVMM-UHFFFAOYSA-N 1 2 240.331 3.627 20 0 BHADLO COc1ccc(C)cc1[C@H](C)Nc1cccc[nH+]1 ZINC000072751729 368780138 /nfs/dbraw/zinc/78/01/38/368780138.db2.gz HYCNWVIORBKIAE-LBPRGKRZSA-N 1 2 242.322 3.572 20 0 BHADLO Clc1c2ccccc2sc1Cn1cc[nH+]c1 ZINC000073180576 359097994 /nfs/dbraw/zinc/09/79/94/359097994.db2.gz VUQWGDDZCOHJCP-UHFFFAOYSA-N 1 2 248.738 3.800 20 0 BHADLO Cc1cc2[nH+]cn(CCC(F)(F)F)c2cc1C ZINC000073529769 135389545 /nfs/dbraw/zinc/38/95/45/135389545.db2.gz KQASPQXZTRVFJF-UHFFFAOYSA-N 1 2 242.244 3.606 20 0 BHADLO CCOc1ccc([C@@H](C)Nc2cccc[nH+]2)cc1 ZINC000073869965 368818722 /nfs/dbraw/zinc/81/87/22/368818722.db2.gz OAEVJIARYKGTMJ-GFCCVEGCSA-N 1 2 242.322 3.653 20 0 BHADLO CCOc1ccc([C@H](C)Nc2cccc[nH+]2)cc1 ZINC000073869967 368818583 /nfs/dbraw/zinc/81/85/83/368818583.db2.gz OAEVJIARYKGTMJ-LBPRGKRZSA-N 1 2 242.322 3.653 20 0 BHADLO Cc1cccn2cc(CSC3CCCC3)[nH+]c12 ZINC000073988184 325221626 /nfs/dbraw/zinc/22/16/26/325221626.db2.gz SRDKHFVRMWDMGM-UHFFFAOYSA-N 1 2 246.379 3.819 20 0 BHADLO Cc1cc(NC(=O)CCC2CCCCC2)cc[nH+]1 ZINC000075284693 134952552 /nfs/dbraw/zinc/95/25/52/134952552.db2.gz WRFVWEAGSLCCKJ-UHFFFAOYSA-N 1 2 246.354 3.689 20 0 BHADLO CCN(Cc1cccc(Cl)c1)c1cccc[nH+]1 ZINC000075824911 353329505 /nfs/dbraw/zinc/32/95/05/353329505.db2.gz GOAOUBWKTJIUGX-UHFFFAOYSA-N 1 2 246.741 3.762 20 0 BHADLO Cc1ccc(C[NH2+]C2(c3ccccc3F)CC2)o1 ZINC000076766679 398246630 /nfs/dbraw/zinc/24/66/30/398246630.db2.gz KENUQUXHBJJZNR-UHFFFAOYSA-N 1 2 245.297 3.506 20 0 BHADLO CC[C@H](Nc1cccc[nH+]1)c1cc(F)ccc1F ZINC000077232973 344819693 /nfs/dbraw/zinc/81/96/93/344819693.db2.gz ZZGOWKJYVBFTNP-ZDUSSCGKSA-N 1 2 248.276 3.923 20 0 BHADLO CC[C@@H](Nc1cccc[nH+]1)c1cc(F)ccc1F ZINC000077232974 344819735 /nfs/dbraw/zinc/81/97/35/344819735.db2.gz ZZGOWKJYVBFTNP-CYBMUJFWSA-N 1 2 248.276 3.923 20 0 BHADLO Clc1cccc([C@@H]2C[C@H]2Nc2cccc[nH+]2)c1 ZINC000077237111 344813410 /nfs/dbraw/zinc/81/34/10/344813410.db2.gz JOELAUYMIMNZCY-QWHCGFSZSA-N 1 2 244.725 3.703 20 0 BHADLO CC[C@H](Nc1cccc[nH+]1)c1ccc(F)cc1F ZINC000077987071 344828553 /nfs/dbraw/zinc/82/85/53/344828553.db2.gz MNBPZNCUMRLZNR-ZDUSSCGKSA-N 1 2 248.276 3.923 20 0 BHADLO CC[C@@H](Nc1cccc[nH+]1)c1ccc(F)cc1F ZINC000077987074 344828872 /nfs/dbraw/zinc/82/88/72/344828872.db2.gz MNBPZNCUMRLZNR-CYBMUJFWSA-N 1 2 248.276 3.923 20 0 BHADLO Cc1cccc([C@@H](C)Nc2cc[nH+]c(C)n2)c1C ZINC000078264612 344840498 /nfs/dbraw/zinc/84/04/98/344840498.db2.gz WLAKEFBPJVZKPT-GFCCVEGCSA-N 1 2 241.338 3.575 20 0 BHADLO Cc1cccc([C@H](C)Nc2cc[nH+]c(C)n2)c1C ZINC000078264614 344840619 /nfs/dbraw/zinc/84/06/19/344840619.db2.gz WLAKEFBPJVZKPT-LBPRGKRZSA-N 1 2 241.338 3.575 20 0 BHADLO CC[C@H](Nc1cccc[nH+]1)c1ccc(OC)cc1 ZINC000078329757 344845661 /nfs/dbraw/zinc/84/56/61/344845661.db2.gz RPEBRXCXHCTWRO-AWEZNQCLSA-N 1 2 242.322 3.653 20 0 BHADLO CC[C@@H](Nc1cccc[nH+]1)c1ccc(OC)cc1 ZINC000078329759 344845692 /nfs/dbraw/zinc/84/56/92/344845692.db2.gz RPEBRXCXHCTWRO-CQSZACIVSA-N 1 2 242.322 3.653 20 0 BHADLO CCC(CC)c1cc(CNc2cccc[nH+]2)on1 ZINC000078400386 344859915 /nfs/dbraw/zinc/85/99/15/344859915.db2.gz IZBTXGHZFPQBCG-UHFFFAOYSA-N 1 2 245.326 3.585 20 0 BHADLO Cc1nc(C[N@H+](C)[C@@H](C)c2ccccc2)cs1 ZINC000078499764 384447797 /nfs/dbraw/zinc/44/77/97/384447797.db2.gz WLLIFJSEHOMQKT-NSHDSACASA-N 1 2 246.379 3.645 20 0 BHADLO Cc1nc(C[N@@H+](C)[C@@H](C)c2ccccc2)cs1 ZINC000078499764 384447790 /nfs/dbraw/zinc/44/77/90/384447790.db2.gz WLLIFJSEHOMQKT-NSHDSACASA-N 1 2 246.379 3.645 20 0 BHADLO Cc1nc(C[N@H+](C)[C@H](C)c2ccccc2)cs1 ZINC000078499767 384447450 /nfs/dbraw/zinc/44/74/50/384447450.db2.gz WLLIFJSEHOMQKT-LLVKDONJSA-N 1 2 246.379 3.645 20 0 BHADLO Cc1nc(C[N@@H+](C)[C@H](C)c2ccccc2)cs1 ZINC000078499767 384447445 /nfs/dbraw/zinc/44/74/45/384447445.db2.gz WLLIFJSEHOMQKT-LLVKDONJSA-N 1 2 246.379 3.645 20 0 BHADLO C[C@@H](CNc1cccc[nH+]1)Sc1ccccc1 ZINC000078505603 344876271 /nfs/dbraw/zinc/87/62/71/344876271.db2.gz JIZLVNATMGJWGH-LBPRGKRZSA-N 1 2 244.363 3.674 20 0 BHADLO C[C@H](CNc1cccc[nH+]1)Sc1ccccc1 ZINC000078505606 344876297 /nfs/dbraw/zinc/87/62/97/344876297.db2.gz JIZLVNATMGJWGH-GFCCVEGCSA-N 1 2 244.363 3.674 20 0 BHADLO CC(C)[C@H](Nc1cccc[nH+]1)c1ccccc1 ZINC000078515259 359332611 /nfs/dbraw/zinc/33/26/11/359332611.db2.gz AEEQGVQFBPPMDL-HNNXBMFYSA-N 1 2 226.323 3.891 20 0 BHADLO CC(C)[C@@H](Nc1cccc[nH+]1)c1ccccc1 ZINC000078515263 344877974 /nfs/dbraw/zinc/87/79/74/344877974.db2.gz AEEQGVQFBPPMDL-OAHLLOKOSA-N 1 2 226.323 3.891 20 0 BHADLO Fc1ccc([C@H]2CCCN2c2cccc[nH+]2)cc1 ZINC000078548655 344880858 /nfs/dbraw/zinc/88/08/58/344880858.db2.gz QHJGXIMFXCMNOT-CQSZACIVSA-N 1 2 242.297 3.562 20 0 BHADLO Fc1ccc([C@@H]2CCCN2c2cccc[nH+]2)cc1 ZINC000078548657 344880680 /nfs/dbraw/zinc/88/06/80/344880680.db2.gz QHJGXIMFXCMNOT-AWEZNQCLSA-N 1 2 242.297 3.562 20 0 BHADLO C[C@@H](CNc1cccc[nH+]1)c1ccc(F)cc1F ZINC000078579362 344885628 /nfs/dbraw/zinc/88/56/28/344885628.db2.gz FABGYROGQHXQKX-JTQLQIEISA-N 1 2 248.276 3.575 20 0 BHADLO C[C@H](CNc1cccc[nH+]1)c1ccc(F)cc1F ZINC000078579367 344885741 /nfs/dbraw/zinc/88/57/41/344885741.db2.gz FABGYROGQHXQKX-SNVBAGLBSA-N 1 2 248.276 3.575 20 0 BHADLO FC(F)(F)c1cc[nH+]c(N[C@H]2CC=CCC2)c1 ZINC000078612518 135130860 /nfs/dbraw/zinc/13/08/60/135130860.db2.gz UKAXYVWLVXVFJQ-JTQLQIEISA-N 1 2 242.244 3.621 20 0 BHADLO FC(F)(F)c1cc[nH+]c(N[C@@H]2CC=CCC2)c1 ZINC000078612520 135130902 /nfs/dbraw/zinc/13/09/02/135130902.db2.gz UKAXYVWLVXVFJQ-SNVBAGLBSA-N 1 2 242.244 3.621 20 0 BHADLO Cc1c[nH+]ccc1NC(=O)CCCC1CCCC1 ZINC000080111660 384529299 /nfs/dbraw/zinc/52/92/99/384529299.db2.gz BVWBKNCXLFYOOG-UHFFFAOYSA-N 1 2 246.354 3.689 20 0 BHADLO c1ccc2[nH+]c(N[C@H]3CC=CCC3)ccc2c1 ZINC000080119960 386236332 /nfs/dbraw/zinc/23/63/32/386236332.db2.gz DJNUPUVKVOUAEE-ZDUSSCGKSA-N 1 2 224.307 3.755 20 0 BHADLO c1ccc2[nH+]c(N[C@@H]3CC=CCC3)ccc2c1 ZINC000080119963 386236206 /nfs/dbraw/zinc/23/62/06/386236206.db2.gz DJNUPUVKVOUAEE-CYBMUJFWSA-N 1 2 224.307 3.755 20 0 BHADLO Cc1cc(N(C)C)ccc1[NH2+][C@@H]1CC[C@H](C)C1 ZINC000080431138 644259505 /nfs/dbraw/zinc/25/95/05/644259505.db2.gz GEPBTHMSYLHGTB-WCQYABFASA-N 1 2 232.371 3.662 20 0 BHADLO Cc1cc([NH+](C)C)ccc1N[C@@H]1CC[C@H](C)C1 ZINC000080431138 644259500 /nfs/dbraw/zinc/25/95/00/644259500.db2.gz GEPBTHMSYLHGTB-WCQYABFASA-N 1 2 232.371 3.662 20 0 BHADLO Cc1cc(N(C)C)ccc1[NH2+][C@H]1CC[C@H](C)C1 ZINC000080431141 644259171 /nfs/dbraw/zinc/25/91/71/644259171.db2.gz GEPBTHMSYLHGTB-AAEUAGOBSA-N 1 2 232.371 3.662 20 0 BHADLO Cc1cc([NH+](C)C)ccc1N[C@H]1CC[C@H](C)C1 ZINC000080431141 644259161 /nfs/dbraw/zinc/25/91/61/644259161.db2.gz GEPBTHMSYLHGTB-AAEUAGOBSA-N 1 2 232.371 3.662 20 0 BHADLO Cc1cc(N(C)C)ccc1[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000080431145 644259466 /nfs/dbraw/zinc/25/94/66/644259466.db2.gz GEPBTHMSYLHGTB-DGCLKSJQSA-N 1 2 232.371 3.662 20 0 BHADLO Cc1cc([NH+](C)C)ccc1N[C@@H]1CC[C@@H](C)C1 ZINC000080431145 644259461 /nfs/dbraw/zinc/25/94/61/644259461.db2.gz GEPBTHMSYLHGTB-DGCLKSJQSA-N 1 2 232.371 3.662 20 0 BHADLO Cc1cc(N(C)C)ccc1[NH2+][C@H]1CC[C@@H](C)C1 ZINC000080431153 644259966 /nfs/dbraw/zinc/25/99/66/644259966.db2.gz GEPBTHMSYLHGTB-YPMHNXCESA-N 1 2 232.371 3.662 20 0 BHADLO Cc1cc([NH+](C)C)ccc1N[C@H]1CC[C@@H](C)C1 ZINC000080431153 644259960 /nfs/dbraw/zinc/25/99/60/644259960.db2.gz GEPBTHMSYLHGTB-YPMHNXCESA-N 1 2 232.371 3.662 20 0 BHADLO C[C@@H]1CC[C@H](Nc2ccc([NH+]3CCCC3)cc2)C1 ZINC000080454489 636861451 /nfs/dbraw/zinc/86/14/51/636861451.db2.gz HMZIZCXWVFJFPM-HIFRSBDPSA-N 1 2 244.382 3.887 20 0 BHADLO C[C@@H]1CC[C@H]([NH2+]c2ccc(N3CCCC3)cc2)C1 ZINC000080454489 636861449 /nfs/dbraw/zinc/86/14/49/636861449.db2.gz HMZIZCXWVFJFPM-HIFRSBDPSA-N 1 2 244.382 3.887 20 0 BHADLO C[C@H]1CC[C@H](Nc2ccc([NH+]3CCCC3)cc2)C1 ZINC000080454496 636862007 /nfs/dbraw/zinc/86/20/07/636862007.db2.gz HMZIZCXWVFJFPM-ZFWWWQNUSA-N 1 2 244.382 3.887 20 0 BHADLO C[C@H]1CC[C@H]([NH2+]c2ccc(N3CCCC3)cc2)C1 ZINC000080454496 636862000 /nfs/dbraw/zinc/86/20/00/636862000.db2.gz HMZIZCXWVFJFPM-ZFWWWQNUSA-N 1 2 244.382 3.887 20 0 BHADLO C[C@@H]1CC[C@@H](Nc2ccc([NH+]3CCCC3)cc2)C1 ZINC000080454498 644262270 /nfs/dbraw/zinc/26/22/70/644262270.db2.gz HMZIZCXWVFJFPM-UKRRQHHQSA-N 1 2 244.382 3.887 20 0 BHADLO C[C@@H]1CC[C@@H]([NH2+]c2ccc(N3CCCC3)cc2)C1 ZINC000080454498 644262266 /nfs/dbraw/zinc/26/22/66/644262266.db2.gz HMZIZCXWVFJFPM-UKRRQHHQSA-N 1 2 244.382 3.887 20 0 BHADLO C[C@H]1CC[C@@H](Nc2ccc([NH+]3CCCC3)cc2)C1 ZINC000080454501 644262457 /nfs/dbraw/zinc/26/24/57/644262457.db2.gz HMZIZCXWVFJFPM-DZGCQCFKSA-N 1 2 244.382 3.887 20 0 BHADLO C[C@H]1CC[C@@H]([NH2+]c2ccc(N3CCCC3)cc2)C1 ZINC000080454501 644262454 /nfs/dbraw/zinc/26/24/54/644262454.db2.gz HMZIZCXWVFJFPM-DZGCQCFKSA-N 1 2 244.382 3.887 20 0 BHADLO CC(C)[C@@H](C)CNc1ccc2ccccc2[nH+]1 ZINC000081070397 322813371 /nfs/dbraw/zinc/81/33/71/322813371.db2.gz ZAXMTUXFBSKUKU-LBPRGKRZSA-N 1 2 228.339 3.939 20 0 BHADLO CC(C)[C@H](C)CNc1ccc2ccccc2[nH+]1 ZINC000081070399 384063174 /nfs/dbraw/zinc/06/31/74/384063174.db2.gz ZAXMTUXFBSKUKU-GFCCVEGCSA-N 1 2 228.339 3.939 20 0 BHADLO Fc1ccccc1[C@@H]1CC[N@H+]1CCC(F)(F)F ZINC000081627045 359607912 /nfs/dbraw/zinc/60/79/12/359607912.db2.gz HNJFFLRMKCPYDC-NSHDSACASA-N 1 2 247.235 3.525 20 0 BHADLO Fc1ccccc1[C@@H]1CC[N@@H+]1CCC(F)(F)F ZINC000081627045 359607909 /nfs/dbraw/zinc/60/79/09/359607909.db2.gz HNJFFLRMKCPYDC-NSHDSACASA-N 1 2 247.235 3.525 20 0 BHADLO Fc1ccccc1[C@H]1CC[N@H+]1CCC(F)(F)F ZINC000081627047 345487691 /nfs/dbraw/zinc/48/76/91/345487691.db2.gz HNJFFLRMKCPYDC-LLVKDONJSA-N 1 2 247.235 3.525 20 0 BHADLO Fc1ccccc1[C@H]1CC[N@@H+]1CCC(F)(F)F ZINC000081627047 345487689 /nfs/dbraw/zinc/48/76/89/345487689.db2.gz HNJFFLRMKCPYDC-LLVKDONJSA-N 1 2 247.235 3.525 20 0 BHADLO CC(C)(CNc1cccc[nH+]1)c1cccs1 ZINC000082707806 535155736 /nfs/dbraw/zinc/15/57/36/535155736.db2.gz VISLCGWBVWNARD-UHFFFAOYSA-N 1 2 232.352 3.533 20 0 BHADLO Cc1ccc2[nH+]c(NCc3cccs3)[nH]c2c1 ZINC000082741382 371029822 /nfs/dbraw/zinc/02/98/22/371029822.db2.gz SEKODWMCBREUEH-UHFFFAOYSA-N 1 2 243.335 3.545 20 0 BHADLO CC[C@H]([NH2+]c1ccc(C)cc1OC)C1CC1 ZINC000083055656 384741753 /nfs/dbraw/zinc/74/17/53/384741753.db2.gz KHEISYGVNWJZBA-LBPRGKRZSA-N 1 2 219.328 3.604 20 0 BHADLO CC[C@@H]([NH2+]c1ccc(C)cc1OC)C1CC1 ZINC000083055657 384741027 /nfs/dbraw/zinc/74/10/27/384741027.db2.gz KHEISYGVNWJZBA-GFCCVEGCSA-N 1 2 219.328 3.604 20 0 BHADLO Cc1cc[nH+]cc1NCc1c(C)cccc1C ZINC000083354811 384763293 /nfs/dbraw/zinc/76/32/93/384763293.db2.gz DOICQNPSQJRMIJ-UHFFFAOYSA-N 1 2 226.323 3.619 20 0 BHADLO CCc1ccc(CNc2ccc(C)[nH+]c2)cc1 ZINC000083354812 388048863 /nfs/dbraw/zinc/04/88/63/388048863.db2.gz GMWMEUJWIVJCAF-UHFFFAOYSA-N 1 2 226.323 3.565 20 0 BHADLO Cc1ccc(NC[C@@H](C)c2ccccc2)c[nH+]1 ZINC000083354814 388048719 /nfs/dbraw/zinc/04/87/19/388048719.db2.gz OVJCJLKNLNGDSX-GFCCVEGCSA-N 1 2 226.323 3.606 20 0 BHADLO Cc1ccc(NC[C@H](C)c2ccccc2)c[nH+]1 ZINC000083354815 388049963 /nfs/dbraw/zinc/04/99/63/388049963.db2.gz OVJCJLKNLNGDSX-LBPRGKRZSA-N 1 2 226.323 3.606 20 0 BHADLO Cc1ccc(NCc2ccc(C)c(C)c2)c[nH+]1 ZINC000083354816 388048628 /nfs/dbraw/zinc/04/86/28/388048628.db2.gz CUXVARPUVIEDBH-UHFFFAOYSA-N 1 2 226.323 3.619 20 0 BHADLO Cc1ccc(C)c(CNc2ccc(C)[nH+]c2)c1 ZINC000083354817 388049994 /nfs/dbraw/zinc/04/99/94/388049994.db2.gz NNCQDJWLIUGDSR-UHFFFAOYSA-N 1 2 226.323 3.619 20 0 BHADLO Cc1cc(C)cc(CNc2ccc(C)[nH+]c2)c1 ZINC000083354818 388048846 /nfs/dbraw/zinc/04/88/46/388048846.db2.gz KVPNDDQTCYEMAM-UHFFFAOYSA-N 1 2 226.323 3.619 20 0 BHADLO Cc1ccc(NCc2c(C)cccc2C)c[nH+]1 ZINC000083354819 388049882 /nfs/dbraw/zinc/04/98/82/388049882.db2.gz DIOTTYQLUXQRSC-UHFFFAOYSA-N 1 2 226.323 3.619 20 0 BHADLO Cc1ccc(NCc2cccc(C)c2C)c[nH+]1 ZINC000083354820 384763695 /nfs/dbraw/zinc/76/36/95/384763695.db2.gz ISQJYWFXFJGEHB-UHFFFAOYSA-N 1 2 226.323 3.619 20 0 BHADLO CCCc1ccc(CNc2cccc[nH+]2)cc1 ZINC000083354880 343585760 /nfs/dbraw/zinc/58/57/60/343585760.db2.gz OGTVTEDWWRIKEQ-UHFFFAOYSA-N 1 2 226.323 3.646 20 0 BHADLO Cc1ccc(NCc2cccc(Cl)c2)c[nH+]1 ZINC000083359328 384763741 /nfs/dbraw/zinc/76/37/41/384763741.db2.gz WLGXKCIIVHESLJ-UHFFFAOYSA-N 1 2 232.714 3.656 20 0 BHADLO Cc1ccc(NCc2ccc(Cl)cc2)c[nH+]1 ZINC000083359329 178761907 /nfs/dbraw/zinc/76/19/07/178761907.db2.gz PGKITIMFSXIVRB-UHFFFAOYSA-N 1 2 232.714 3.656 20 0 BHADLO Cc1ccc(NCc2ccccc2Cl)c[nH+]1 ZINC000083359330 384765950 /nfs/dbraw/zinc/76/59/50/384765950.db2.gz PDDGAQDXTQSIMW-UHFFFAOYSA-N 1 2 232.714 3.656 20 0 BHADLO Cc1ccc(Cl)cc1CNc1cccc[nH+]1 ZINC000083359358 643439698 /nfs/dbraw/zinc/43/96/98/643439698.db2.gz XSKUBWDLQPPOQH-UHFFFAOYSA-N 1 2 232.714 3.656 20 0 BHADLO Cc1ccc(NCc2ccc(Cl)s2)c[nH+]1 ZINC000083366536 387404792 /nfs/dbraw/zinc/40/47/92/387404792.db2.gz VRXRITJDAWZZRT-UHFFFAOYSA-N 1 2 238.743 3.717 20 0 BHADLO CSc1ccc(CNc2ccc(C)[nH+]c2)cc1 ZINC000083373060 188141348 /nfs/dbraw/zinc/14/13/48/188141348.db2.gz IBWLVALDSCFGIV-UHFFFAOYSA-N 1 2 244.363 3.724 20 0 BHADLO COc1cc(C)ccc1[NH2+][C@@H]1CCC[C@@H]1C ZINC000083390654 387407689 /nfs/dbraw/zinc/40/76/89/387407689.db2.gz UOFXMLIJDKIACB-NWDGAFQWSA-N 1 2 219.328 3.604 20 0 BHADLO COc1cc(C)ccc1[NH2+][C@H]1CCC[C@@H]1C ZINC000083390655 387407764 /nfs/dbraw/zinc/40/77/64/387407764.db2.gz UOFXMLIJDKIACB-RYUDHWBXSA-N 1 2 219.328 3.604 20 0 BHADLO COc1cc(C)ccc1[NH2+][C@@H]1CCC[C@H]1C ZINC000083390656 387406404 /nfs/dbraw/zinc/40/64/04/387406404.db2.gz UOFXMLIJDKIACB-VXGBXAGGSA-N 1 2 219.328 3.604 20 0 BHADLO COc1cc(C)ccc1[NH2+][C@H]1CCC[C@H]1C ZINC000083390657 387407477 /nfs/dbraw/zinc/40/74/77/387407477.db2.gz UOFXMLIJDKIACB-NEPJUHHUSA-N 1 2 219.328 3.604 20 0 BHADLO CCC(CC)Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000085486115 387062028 /nfs/dbraw/zinc/06/20/28/387062028.db2.gz FGVQCJUXJOUYGO-UHFFFAOYSA-N 1 2 232.249 3.701 20 0 BHADLO CCC[C@@H](C)Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000085486124 538117131 /nfs/dbraw/zinc/11/71/31/538117131.db2.gz QCRSXSUDKOZZCC-MRVPVSSYSA-N 1 2 232.249 3.701 20 0 BHADLO CCC[C@H](C)Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000085486126 538117080 /nfs/dbraw/zinc/11/70/80/538117080.db2.gz QCRSXSUDKOZZCC-QMMMGPOBSA-N 1 2 232.249 3.701 20 0 BHADLO CCCCCNc1cc(C(F)(F)F)cc[nH+]1 ZINC000085486129 387061441 /nfs/dbraw/zinc/06/14/41/387061441.db2.gz LOLSKFJMSXKKLI-UHFFFAOYSA-N 1 2 232.249 3.703 20 0 BHADLO CC(C)CCNc1cc(C(F)(F)F)cc[nH+]1 ZINC000085486131 387062064 /nfs/dbraw/zinc/06/20/64/387062064.db2.gz ZXFMEBCUXNTSCK-UHFFFAOYSA-N 1 2 232.249 3.558 20 0 BHADLO CC(C)(C)CNc1cc(C(F)(F)F)cc[nH+]1 ZINC000085486168 387062352 /nfs/dbraw/zinc/06/23/52/387062352.db2.gz KKYLFVSFQFGOTD-UHFFFAOYSA-N 1 2 232.249 3.558 20 0 BHADLO Cc1cccc(CNc2cc[nH+]c3ccncc23)c1 ZINC000085655722 410467012 /nfs/dbraw/zinc/46/70/12/410467012.db2.gz AMJPUQSKFVISHZ-UHFFFAOYSA-N 1 2 249.317 3.550 20 0 BHADLO Cc1[nH+]cccc1NCc1ccc(Cl)cc1 ZINC000085711630 388095824 /nfs/dbraw/zinc/09/58/24/388095824.db2.gz ZLXTXJBAQDHKGT-UHFFFAOYSA-N 1 2 232.714 3.656 20 0 BHADLO Cc1cc(CNc2ccc[nH+]c2C)c(C)s1 ZINC000085711733 322961868 /nfs/dbraw/zinc/96/18/68/322961868.db2.gz FYGRILPHEWTNGA-UHFFFAOYSA-N 1 2 232.352 3.680 20 0 BHADLO Cc1[nH+]cccc1NCc1ccccc1Cl ZINC000085711939 357560336 /nfs/dbraw/zinc/56/03/36/357560336.db2.gz BBRFODIYSDZYQC-UHFFFAOYSA-N 1 2 232.714 3.656 20 0 BHADLO Cc1[nH+]cccc1NCc1cccc(Cl)c1 ZINC000085712022 357560437 /nfs/dbraw/zinc/56/04/37/357560437.db2.gz IXQBEYYTAPJJOZ-UHFFFAOYSA-N 1 2 232.714 3.656 20 0 BHADLO Cc1[nH+]cccc1N[C@@H](C)CCC(C)C ZINC000085712402 180225806 /nfs/dbraw/zinc/22/58/06/180225806.db2.gz KUVLMRCAWRZBPB-NSHDSACASA-N 1 2 206.333 3.627 20 0 BHADLO Cc1[nH+]cccc1N[C@H](C)CCC(C)C ZINC000085712408 180227357 /nfs/dbraw/zinc/22/73/57/180227357.db2.gz KUVLMRCAWRZBPB-LLVKDONJSA-N 1 2 206.333 3.627 20 0 BHADLO Cc1[nH+]cccc1NCc1ccc(Cl)s1 ZINC000085726646 384553536 /nfs/dbraw/zinc/55/35/36/384553536.db2.gz MOVUCILLCMJIOU-UHFFFAOYSA-N 1 2 238.743 3.717 20 0 BHADLO CCc1ccc(CNc2ccc[nH+]c2C)s1 ZINC000085726672 384853770 /nfs/dbraw/zinc/85/37/70/384853770.db2.gz SFWNUORXRXNMCC-UHFFFAOYSA-N 1 2 232.352 3.626 20 0 BHADLO CC[C@H]([NH2+]c1ccc(N(C)C)cc1C)C1CC1 ZINC000086116659 643916985 /nfs/dbraw/zinc/91/69/85/643916985.db2.gz QCBLLHACDBFSTC-AWEZNQCLSA-N 1 2 232.371 3.662 20 0 BHADLO CC[C@H](Nc1ccc([NH+](C)C)cc1C)C1CC1 ZINC000086116659 643916977 /nfs/dbraw/zinc/91/69/77/643916977.db2.gz QCBLLHACDBFSTC-AWEZNQCLSA-N 1 2 232.371 3.662 20 0 BHADLO CC[C@@H]([NH2+]c1ccc(N(C)C)cc1C)C1CC1 ZINC000086116665 643916251 /nfs/dbraw/zinc/91/62/51/643916251.db2.gz QCBLLHACDBFSTC-CQSZACIVSA-N 1 2 232.371 3.662 20 0 BHADLO CC[C@@H](Nc1ccc([NH+](C)C)cc1C)C1CC1 ZINC000086116665 643916242 /nfs/dbraw/zinc/91/62/42/643916242.db2.gz QCBLLHACDBFSTC-CQSZACIVSA-N 1 2 232.371 3.662 20 0 BHADLO CC[C@H](Nc1ccc([NH+]2CCCC2)cc1)C1CC1 ZINC000086118369 643916103 /nfs/dbraw/zinc/91/61/03/643916103.db2.gz PCBMWDLAXQOIEM-INIZCTEOSA-N 1 2 244.382 3.887 20 0 BHADLO CC[C@H]([NH2+]c1ccc(N2CCCC2)cc1)C1CC1 ZINC000086118369 643916097 /nfs/dbraw/zinc/91/60/97/643916097.db2.gz PCBMWDLAXQOIEM-INIZCTEOSA-N 1 2 244.382 3.887 20 0 BHADLO CC[C@@H](Nc1ccc([NH+]2CCCC2)cc1)C1CC1 ZINC000086118371 643916749 /nfs/dbraw/zinc/91/67/49/643916749.db2.gz PCBMWDLAXQOIEM-MRXNPFEDSA-N 1 2 244.382 3.887 20 0 BHADLO CC[C@@H]([NH2+]c1ccc(N2CCCC2)cc1)C1CC1 ZINC000086118371 643916747 /nfs/dbraw/zinc/91/67/47/643916747.db2.gz PCBMWDLAXQOIEM-MRXNPFEDSA-N 1 2 244.382 3.887 20 0 BHADLO Cc1cc[nH+]cc1NCc1cc(Cl)cs1 ZINC000086332824 135081281 /nfs/dbraw/zinc/08/12/81/135081281.db2.gz YMAQGQQNOOJOBW-UHFFFAOYSA-N 1 2 238.743 3.717 20 0 BHADLO Cc1[nH+]cccc1NCc1cc(Cl)cs1 ZINC000086333096 384638538 /nfs/dbraw/zinc/63/85/38/384638538.db2.gz NUJZGBBLKBTXPX-UHFFFAOYSA-N 1 2 238.743 3.717 20 0 BHADLO C[C@H]1CCC[C@H]1Nc1ccc([NH+]2CCCC2)cc1 ZINC000086674014 711980823 /nfs/dbraw/zinc/98/08/23/711980823.db2.gz BBDVTEBRKFYCPK-XJKSGUPXSA-N 1 2 244.382 3.887 20 0 BHADLO C[C@H]1CCC[C@H]1[NH2+]c1ccc(N2CCCC2)cc1 ZINC000086674014 711980821 /nfs/dbraw/zinc/98/08/21/711980821.db2.gz BBDVTEBRKFYCPK-XJKSGUPXSA-N 1 2 244.382 3.887 20 0 BHADLO Cc1ccc(NCc2ccc(Cl)o2)c(C)[nH+]1 ZINC000087151628 135107919 /nfs/dbraw/zinc/10/79/19/135107919.db2.gz HDRUZNVPPLUADF-UHFFFAOYSA-N 1 2 236.702 3.557 20 0 BHADLO Cc1ccsc1CNc1ccc(C)[nH+]c1C ZINC000087151685 135107963 /nfs/dbraw/zinc/10/79/63/135107963.db2.gz OVDSXPVWJMBWBJ-UHFFFAOYSA-N 1 2 232.352 3.680 20 0 BHADLO Cc1ccc(CNc2ccc(C)[nH+]c2C)s1 ZINC000087151769 398207179 /nfs/dbraw/zinc/20/71/79/398207179.db2.gz RPRUVQKDUGAJEM-UHFFFAOYSA-N 1 2 232.352 3.680 20 0 BHADLO CCOc1cc(C)ccc1[NH2+]CC1CCC1 ZINC000087584620 343520506 /nfs/dbraw/zinc/52/05/06/343520506.db2.gz YESQKUCPFDVSBC-UHFFFAOYSA-N 1 2 219.328 3.606 20 0 BHADLO CCn1c[nH+]cc1CNc1ccccc1C(C)C ZINC000090169716 360060106 /nfs/dbraw/zinc/06/01/06/360060106.db2.gz ARXZXEVNVUTVKT-UHFFFAOYSA-N 1 2 243.354 3.639 20 0 BHADLO CCn1c[nH+]cc1CNc1ccc(C(C)C)cc1 ZINC000090169749 360060314 /nfs/dbraw/zinc/06/03/14/360060314.db2.gz MRGSXFSWPLOYBU-UHFFFAOYSA-N 1 2 243.354 3.639 20 0 BHADLO CCn1c[nH+]cc1CNc1cccc(C(C)C)c1 ZINC000090169989 360060856 /nfs/dbraw/zinc/06/08/56/360060856.db2.gz XBLRLJMFFMYFTC-UHFFFAOYSA-N 1 2 243.354 3.639 20 0 BHADLO CC[C@H](SCCn1cc[nH+]c1)c1ccccc1 ZINC000090200967 384034925 /nfs/dbraw/zinc/03/49/25/384034925.db2.gz WLTNHWOQWGFLFG-AWEZNQCLSA-N 1 2 246.379 3.768 20 0 BHADLO CC[C@@H](SCCn1cc[nH+]c1)c1ccccc1 ZINC000090200968 344267309 /nfs/dbraw/zinc/26/73/09/344267309.db2.gz WLTNHWOQWGFLFG-CQSZACIVSA-N 1 2 246.379 3.768 20 0 BHADLO Cc1cccc([C@@H](C)SCCn2cc[nH+]c2)c1 ZINC000090201828 384034440 /nfs/dbraw/zinc/03/44/40/384034440.db2.gz LBGFPAPESNQQQO-CYBMUJFWSA-N 1 2 246.379 3.686 20 0 BHADLO Cc1cccc([C@H](C)SCCn2cc[nH+]c2)c1 ZINC000090201829 188318393 /nfs/dbraw/zinc/31/83/93/188318393.db2.gz LBGFPAPESNQQQO-ZDUSSCGKSA-N 1 2 246.379 3.686 20 0 BHADLO Cc1ccccc1[C@@H](C)SCCn1cc[nH+]c1 ZINC000090202513 179323262 /nfs/dbraw/zinc/32/32/62/179323262.db2.gz RQXSCKAMLKFBNX-CYBMUJFWSA-N 1 2 246.379 3.686 20 0 BHADLO Cc1ccccc1[C@H](C)SCCn1cc[nH+]c1 ZINC000090202514 179340947 /nfs/dbraw/zinc/34/09/47/179340947.db2.gz RQXSCKAMLKFBNX-ZDUSSCGKSA-N 1 2 246.379 3.686 20 0 BHADLO Cc1ccc(NCc2c[nH+]cn2C(C)C)c(C)c1 ZINC000090207455 360064899 /nfs/dbraw/zinc/06/48/99/360064899.db2.gz YLLIWQOMEAZFJN-UHFFFAOYSA-N 1 2 243.354 3.693 20 0 BHADLO Cc1ccc(NCc2c[nH+]cn2C(C)C)cc1C ZINC000090207541 360064516 /nfs/dbraw/zinc/06/45/16/360064516.db2.gz YIUKYESQFKSALM-UHFFFAOYSA-N 1 2 243.354 3.693 20 0 BHADLO CC(C)n1c[nH+]cc1CNc1cccc(Cl)c1 ZINC000090207542 360064339 /nfs/dbraw/zinc/06/43/39/360064339.db2.gz DUGUFRDDTCNJQS-UHFFFAOYSA-N 1 2 249.745 3.730 20 0 BHADLO CC(C)n1c[nH+]cc1CNc1ccc(Cl)cc1 ZINC000090207544 360064449 /nfs/dbraw/zinc/06/44/49/360064449.db2.gz HQBYKGTVXKFMJS-UHFFFAOYSA-N 1 2 249.745 3.730 20 0 BHADLO CC(C)n1c[nH+]cc1CNc1ccccc1Cl ZINC000090207551 360064348 /nfs/dbraw/zinc/06/43/48/360064348.db2.gz MOMWEOXZXALEMK-UHFFFAOYSA-N 1 2 249.745 3.730 20 0 BHADLO Cc1cc(C)cc(NCc2c[nH+]cn2C(C)C)c1 ZINC000090207565 360064772 /nfs/dbraw/zinc/06/47/72/360064772.db2.gz OUUMQVGIIUFFFL-UHFFFAOYSA-N 1 2 243.354 3.693 20 0 BHADLO Cc1ccc(F)cc1NCc1c[nH+]cn1C(C)C ZINC000090207566 360064639 /nfs/dbraw/zinc/06/46/39/360064639.db2.gz GESXFDJYGGHKFA-UHFFFAOYSA-N 1 2 247.317 3.524 20 0 BHADLO CCc1ccc(NCc2c[nH+]cn2C(C)C)cc1 ZINC000090207568 360064541 /nfs/dbraw/zinc/06/45/41/360064541.db2.gz PHAUKODEPNGKHZ-UHFFFAOYSA-N 1 2 243.354 3.639 20 0 BHADLO Cc1ccc(NCc2c[nH+]cn2C(C)C)cc1F ZINC000090207569 360064956 /nfs/dbraw/zinc/06/49/56/360064956.db2.gz URTWTPGKKXASDU-UHFFFAOYSA-N 1 2 247.317 3.524 20 0 BHADLO CCc1ccccc1NCc1c[nH+]cn1C(C)C ZINC000090207570 360064566 /nfs/dbraw/zinc/06/45/66/360064566.db2.gz QSGITNMQYJOHGO-UHFFFAOYSA-N 1 2 243.354 3.639 20 0 BHADLO Cc1cc(F)ccc1NCc1c[nH+]cn1C(C)C ZINC000090207574 360064330 /nfs/dbraw/zinc/06/43/30/360064330.db2.gz WBXCSPZVFYZLQC-UHFFFAOYSA-N 1 2 247.317 3.524 20 0 BHADLO CCc1cccc(NCc2c[nH+]cn2C(C)C)c1 ZINC000090207576 360064581 /nfs/dbraw/zinc/06/45/81/360064581.db2.gz QXPYKJUIDQXJGU-UHFFFAOYSA-N 1 2 243.354 3.639 20 0 BHADLO Cc1cccc(NCc2c[nH+]cn2C(C)C)c1C ZINC000090207583 360064781 /nfs/dbraw/zinc/06/47/81/360064781.db2.gz PVIBCJJJIWRJHN-UHFFFAOYSA-N 1 2 243.354 3.693 20 0 BHADLO Cc1ccc(C)c(NCc2c[nH+]cn2C(C)C)c1 ZINC000090207585 360064722 /nfs/dbraw/zinc/06/47/22/360064722.db2.gz FEJIYBFWGNDJHL-UHFFFAOYSA-N 1 2 243.354 3.693 20 0 BHADLO Cc1ccc(NCc2c[nH+]cn2C(C)C)c(F)c1 ZINC000090207731 360064573 /nfs/dbraw/zinc/06/45/73/360064573.db2.gz LPWDMNYJLKJPKK-UHFFFAOYSA-N 1 2 247.317 3.524 20 0 BHADLO Cc1ccc(F)c(NCc2c[nH+]cn2C(C)C)c1 ZINC000090207736 360064645 /nfs/dbraw/zinc/06/46/45/360064645.db2.gz DYAFADRCRQTFDD-UHFFFAOYSA-N 1 2 247.317 3.524 20 0 BHADLO Cc1c(F)cccc1NCc1c[nH+]cn1C(C)C ZINC000090208835 360065620 /nfs/dbraw/zinc/06/56/20/360065620.db2.gz BVFSPHICXFDEPF-UHFFFAOYSA-N 1 2 247.317 3.524 20 0 BHADLO Cc1cc(NCc2c[nH+]cn2C(C)C)ccc1F ZINC000090209155 360066178 /nfs/dbraw/zinc/06/61/78/360066178.db2.gz VHNCIQSMJSXZKZ-UHFFFAOYSA-N 1 2 247.317 3.524 20 0 BHADLO CCSCc1cc[nH+]c(NCc2ccoc2)c1 ZINC000090228428 643325790 /nfs/dbraw/zinc/32/57/90/643325790.db2.gz MCNJKGPVDJFVSV-UHFFFAOYSA-N 1 2 248.351 3.540 20 0 BHADLO CCSCc1cc[nH+]c(NCc2ccco2)c1 ZINC000090228517 384034483 /nfs/dbraw/zinc/03/44/83/384034483.db2.gz KFAQNHAYWTYMQN-UHFFFAOYSA-N 1 2 248.351 3.540 20 0 BHADLO FC(F)(F)c1cc[nH+]c(NC2CCCCC2)c1 ZINC000090802796 386269099 /nfs/dbraw/zinc/26/90/99/386269099.db2.gz NINZBELNSJJPPM-UHFFFAOYSA-N 1 2 244.260 3.845 20 0 BHADLO FC(F)(F)c1cc[nH+]c(NCC2CCCC2)c1 ZINC000090802880 383853244 /nfs/dbraw/zinc/85/32/44/383853244.db2.gz PBNNRVHBEZVVKW-UHFFFAOYSA-N 1 2 244.260 3.703 20 0 BHADLO C[C@@H]1CCC[C@@H]1Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000090803423 176133016 /nfs/dbraw/zinc/13/30/16/176133016.db2.gz GODIRBZAPVXATG-SCZZXKLOSA-N 1 2 244.260 3.701 20 0 BHADLO C[C@H]1CCC[C@@H]1Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000090803425 177126778 /nfs/dbraw/zinc/12/67/78/177126778.db2.gz GODIRBZAPVXATG-WPRPVWTQSA-N 1 2 244.260 3.701 20 0 BHADLO C[C@@H]1CCC[C@H]1Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000090803426 176151737 /nfs/dbraw/zinc/15/17/37/176151737.db2.gz GODIRBZAPVXATG-PSASIEDQSA-N 1 2 244.260 3.701 20 0 BHADLO C[C@H]1CCC[C@H]1Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000090803427 177142494 /nfs/dbraw/zinc/14/24/94/177142494.db2.gz GODIRBZAPVXATG-WCBMZHEXSA-N 1 2 244.260 3.701 20 0 BHADLO Cc1c[nH+]cc(NCc2c(C)cccc2C)c1 ZINC000091064180 360099953 /nfs/dbraw/zinc/09/99/53/360099953.db2.gz SRBUFCYSNMINQA-UHFFFAOYSA-N 1 2 226.323 3.619 20 0 BHADLO C[C@@H](c1ccc(F)c(F)c1)N(C)c1cccc[nH+]1 ZINC000091426582 345592507 /nfs/dbraw/zinc/59/25/07/345592507.db2.gz DBPPFEUGIRCURL-JTQLQIEISA-N 1 2 248.276 3.557 20 0 BHADLO C[C@H](c1ccc(F)c(F)c1)N(C)c1cccc[nH+]1 ZINC000091426583 345592388 /nfs/dbraw/zinc/59/23/88/345592388.db2.gz DBPPFEUGIRCURL-SNVBAGLBSA-N 1 2 248.276 3.557 20 0 BHADLO Fc1cccc([C@H]2CCCN2c2cccc[nH+]2)c1 ZINC000091454743 345593104 /nfs/dbraw/zinc/59/31/04/345593104.db2.gz QGQZYBUQDLAWMG-CQSZACIVSA-N 1 2 242.297 3.562 20 0 BHADLO Fc1cccc([C@@H]2CCCN2c2cccc[nH+]2)c1 ZINC000091454744 345593180 /nfs/dbraw/zinc/59/31/80/345593180.db2.gz QGQZYBUQDLAWMG-AWEZNQCLSA-N 1 2 242.297 3.562 20 0 BHADLO CCc1ccc(CNc2ccc[nH+]c2C)cc1 ZINC000091495365 135562338 /nfs/dbraw/zinc/56/23/38/135562338.db2.gz HTALRTWWHJSJQB-UHFFFAOYSA-N 1 2 226.323 3.565 20 0 BHADLO Cc1cccc(CNc2ccc[nH+]c2C)c1C ZINC000091495372 360117595 /nfs/dbraw/zinc/11/75/95/360117595.db2.gz VOCXSVOJYGCPQG-UHFFFAOYSA-N 1 2 226.323 3.619 20 0 BHADLO CSc1ccc(CNc2ccc[nH+]c2C)cc1 ZINC000091495482 360117515 /nfs/dbraw/zinc/11/75/15/360117515.db2.gz UIYBBNWPVQLTSH-UHFFFAOYSA-N 1 2 244.363 3.724 20 0 BHADLO Cc1ccc(C)c(CNc2ccc[nH+]c2C)c1 ZINC000091495490 360116828 /nfs/dbraw/zinc/11/68/28/360116828.db2.gz LWDFMTAYMNHRCY-UHFFFAOYSA-N 1 2 226.323 3.619 20 0 BHADLO Cc1[nH+]cccc1NCC[C@@H](C)c1ccccc1 ZINC000091495550 383972932 /nfs/dbraw/zinc/97/29/32/383972932.db2.gz KCPMEYONXJPQDZ-CYBMUJFWSA-N 1 2 240.350 3.996 20 0 BHADLO Cc1[nH+]cccc1NCC[C@H](C)c1ccccc1 ZINC000091495551 383973165 /nfs/dbraw/zinc/97/31/65/383973165.db2.gz KCPMEYONXJPQDZ-ZDUSSCGKSA-N 1 2 240.350 3.996 20 0 BHADLO Cc1[nH+]cccc1NCc1cccc2cccnc21 ZINC000091495684 343951130 /nfs/dbraw/zinc/95/11/30/343951130.db2.gz YAZVLFDOKQNJHE-UHFFFAOYSA-N 1 2 249.317 3.550 20 0 BHADLO Cc1[nH+]cccc1NCc1ccc2ncccc2c1 ZINC000091495711 343951123 /nfs/dbraw/zinc/95/11/23/343951123.db2.gz KNDKHDQIWPKNIY-UHFFFAOYSA-N 1 2 249.317 3.550 20 0 BHADLO Cc1[nH+]cccc1NCc1cc2ccccc2o1 ZINC000091495718 360116991 /nfs/dbraw/zinc/11/69/91/360116991.db2.gz RQZIVHABEMUPSM-UHFFFAOYSA-N 1 2 238.290 3.748 20 0 BHADLO Cc1[nH+]cccc1NCc1ccnc2ccccc12 ZINC000091495729 388764424 /nfs/dbraw/zinc/76/44/24/388764424.db2.gz PFLLBYDLHJVYAP-UHFFFAOYSA-N 1 2 249.317 3.550 20 0 BHADLO Cc1[nH+]cccc1N[C@@H](C)CCc1ccccc1 ZINC000091495765 383972881 /nfs/dbraw/zinc/97/28/81/383972881.db2.gz UROROZHYCZSTIG-ZDUSSCGKSA-N 1 2 240.350 3.823 20 0 BHADLO Cc1[nH+]cccc1N[C@H](C)CCc1ccccc1 ZINC000091495766 383977415 /nfs/dbraw/zinc/97/74/15/383977415.db2.gz UROROZHYCZSTIG-CYBMUJFWSA-N 1 2 240.350 3.823 20 0 BHADLO Cc1[nH+]cccc1NC[C@@H](C)c1ccccc1 ZINC000091495843 383976563 /nfs/dbraw/zinc/97/65/63/383976563.db2.gz MMFZTLBPLTVZDL-GFCCVEGCSA-N 1 2 226.323 3.606 20 0 BHADLO Cc1[nH+]cccc1NC[C@H](C)c1ccccc1 ZINC000091495844 256577481 /nfs/dbraw/zinc/57/74/81/256577481.db2.gz MMFZTLBPLTVZDL-LBPRGKRZSA-N 1 2 226.323 3.606 20 0 BHADLO Cc1cc(C)c(CNc2ccc[nH+]c2C)cc1C ZINC000091495922 383977218 /nfs/dbraw/zinc/97/72/18/383977218.db2.gz WHABSPKILKUHAQ-UHFFFAOYSA-N 1 2 240.350 3.927 20 0 BHADLO Cc1ccc(CNc2ccc[nH+]c2C)c(C)c1 ZINC000091495938 360118330 /nfs/dbraw/zinc/11/83/30/360118330.db2.gz UXWHLFXKJYPQSI-UHFFFAOYSA-N 1 2 226.323 3.619 20 0 BHADLO Cc1ccc(CNc2ccc[nH+]c2C)cc1C ZINC000091495960 360118396 /nfs/dbraw/zinc/11/83/96/360118396.db2.gz YOYAAEWIFLOEHN-UHFFFAOYSA-N 1 2 226.323 3.619 20 0 BHADLO Cc1[nH+]cccc1NC1CC(c2ccccc2)C1 ZINC000091496070 383975587 /nfs/dbraw/zinc/97/55/87/383975587.db2.gz ZPELZUGNCZIOKW-UHFFFAOYSA-N 1 2 238.334 3.748 20 0 BHADLO Cc1cc(C)cc(CNc2ccc[nH+]c2C)c1 ZINC000091496071 360118420 /nfs/dbraw/zinc/11/84/20/360118420.db2.gz DDFGZMSPFRTKAA-UHFFFAOYSA-N 1 2 226.323 3.619 20 0 BHADLO Cc1[nH+]cccc1NCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000091496086 360118576 /nfs/dbraw/zinc/11/85/76/360118576.db2.gz UMWTYSSLZGGVGV-GXFFZTMASA-N 1 2 242.322 3.719 20 0 BHADLO Cc1[nH+]cccc1NCc1ccc([C@H]2C[C@@H]2C)o1 ZINC000091496087 135562985 /nfs/dbraw/zinc/56/29/85/135562985.db2.gz UMWTYSSLZGGVGV-GWCFXTLKSA-N 1 2 242.322 3.719 20 0 BHADLO Cc1[nH+]cccc1NCc1ccc([C@@H]2C[C@H]2C)o1 ZINC000091496088 360118705 /nfs/dbraw/zinc/11/87/05/360118705.db2.gz UMWTYSSLZGGVGV-ZWNOBZJWSA-N 1 2 242.322 3.719 20 0 BHADLO Cc1[nH+]cccc1NCc1ccc([C@H]2C[C@H]2C)o1 ZINC000091496089 360118381 /nfs/dbraw/zinc/11/83/81/360118381.db2.gz UMWTYSSLZGGVGV-MFKMUULPSA-N 1 2 242.322 3.719 20 0 BHADLO Cc1cc(F)cc(NCc2c[nH+]cn2C(C)C)c1 ZINC000091510235 360118770 /nfs/dbraw/zinc/11/87/70/360118770.db2.gz XJZMIYONDSDMBR-UHFFFAOYSA-N 1 2 247.317 3.524 20 0 BHADLO Cc1cc(F)ccc1C[N@H+](CC(F)F)C(C)C ZINC000092045255 388783713 /nfs/dbraw/zinc/78/37/13/388783713.db2.gz OPYVTONXGZKNCC-UHFFFAOYSA-N 1 2 245.288 3.610 20 0 BHADLO Cc1cc(F)ccc1C[N@@H+](CC(F)F)C(C)C ZINC000092045255 388783711 /nfs/dbraw/zinc/78/37/11/388783711.db2.gz OPYVTONXGZKNCC-UHFFFAOYSA-N 1 2 245.288 3.610 20 0 BHADLO C=CC[N@@H+](Cc1ccoc1)Cc1ccccc1F ZINC000092404652 643124153 /nfs/dbraw/zinc/12/41/53/643124153.db2.gz UWDBJHHUFYJOOK-UHFFFAOYSA-N 1 2 245.297 3.607 20 0 BHADLO C=CC[N@H+](Cc1ccoc1)Cc1ccccc1F ZINC000092404652 643124142 /nfs/dbraw/zinc/12/41/42/643124142.db2.gz UWDBJHHUFYJOOK-UHFFFAOYSA-N 1 2 245.297 3.607 20 0 BHADLO CCC[N@H+](Cc1ccc(C)s1)CC(F)F ZINC000092737450 360192603 /nfs/dbraw/zinc/19/26/03/360192603.db2.gz YVRMFGXOJWLZOH-UHFFFAOYSA-N 1 2 233.327 3.534 20 0 BHADLO CCC[N@@H+](Cc1ccc(C)s1)CC(F)F ZINC000092737450 360192600 /nfs/dbraw/zinc/19/26/00/360192600.db2.gz YVRMFGXOJWLZOH-UHFFFAOYSA-N 1 2 233.327 3.534 20 0 BHADLO CCC[N@H+](Cc1sccc1C)CC(F)F ZINC000092737525 360192550 /nfs/dbraw/zinc/19/25/50/360192550.db2.gz USFMNBSFIGTYLF-UHFFFAOYSA-N 1 2 233.327 3.534 20 0 BHADLO CCC[N@@H+](Cc1sccc1C)CC(F)F ZINC000092737525 360192546 /nfs/dbraw/zinc/19/25/46/360192546.db2.gz USFMNBSFIGTYLF-UHFFFAOYSA-N 1 2 233.327 3.534 20 0 BHADLO Fc1ccc2c(c1)[C@H](Nc1cccc[nH+]1)CCC2 ZINC000092976413 345650416 /nfs/dbraw/zinc/65/04/16/345650416.db2.gz GZJWPQLZJONVQH-CQSZACIVSA-N 1 2 242.297 3.710 20 0 BHADLO Fc1ccc2c(c1)[C@@H](Nc1cccc[nH+]1)CCC2 ZINC000092976414 345650584 /nfs/dbraw/zinc/65/05/84/345650584.db2.gz GZJWPQLZJONVQH-AWEZNQCLSA-N 1 2 242.297 3.710 20 0 BHADLO Clc1ccc([C@H]2CC[N@H+]2Cc2ccco2)cc1 ZINC000093685970 345663404 /nfs/dbraw/zinc/66/34/04/345663404.db2.gz WWQRNQHBLKIVFB-CQSZACIVSA-N 1 2 247.725 3.880 20 0 BHADLO Clc1ccc([C@H]2CC[N@@H+]2Cc2ccco2)cc1 ZINC000093685970 345663401 /nfs/dbraw/zinc/66/34/01/345663401.db2.gz WWQRNQHBLKIVFB-CQSZACIVSA-N 1 2 247.725 3.880 20 0 BHADLO Clc1ccc([C@@H]2CC[N@H+]2Cc2ccco2)cc1 ZINC000093685972 345663243 /nfs/dbraw/zinc/66/32/43/345663243.db2.gz WWQRNQHBLKIVFB-AWEZNQCLSA-N 1 2 247.725 3.880 20 0 BHADLO Clc1ccc([C@@H]2CC[N@@H+]2Cc2ccco2)cc1 ZINC000093685972 345663242 /nfs/dbraw/zinc/66/32/42/345663242.db2.gz WWQRNQHBLKIVFB-AWEZNQCLSA-N 1 2 247.725 3.880 20 0 BHADLO Clc1ccc([C@H]2CC[N@H+]2Cc2ccoc2)cc1 ZINC000093686262 643339369 /nfs/dbraw/zinc/33/93/69/643339369.db2.gz ITFRFJXNLWMQGG-CQSZACIVSA-N 1 2 247.725 3.880 20 0 BHADLO Clc1ccc([C@H]2CC[N@@H+]2Cc2ccoc2)cc1 ZINC000093686262 643339363 /nfs/dbraw/zinc/33/93/63/643339363.db2.gz ITFRFJXNLWMQGG-CQSZACIVSA-N 1 2 247.725 3.880 20 0 BHADLO COc1ccc([NH2+][C@H]2CCCC2(C)C)c(OC)c1 ZINC000094302972 635279576 /nfs/dbraw/zinc/27/95/76/635279576.db2.gz JJHJLKJVADIPHF-AWEZNQCLSA-N 1 2 249.354 3.694 20 0 BHADLO COc1ccc([NH2+][C@@H]2CCCC2(C)C)c(OC)c1 ZINC000094302973 635280174 /nfs/dbraw/zinc/28/01/74/635280174.db2.gz JJHJLKJVADIPHF-CQSZACIVSA-N 1 2 249.354 3.694 20 0 BHADLO CN(C)c1ccc([NH2+][C@H]2CCCC2(C)C)cc1 ZINC000094304176 644714001 /nfs/dbraw/zinc/71/40/01/644714001.db2.gz ICAOZQPIWQWVSY-AWEZNQCLSA-N 1 2 232.371 3.743 20 0 BHADLO CN(C)c1ccc([NH2+][C@@H]2CCCC2(C)C)cc1 ZINC000094304177 644714764 /nfs/dbraw/zinc/71/47/64/644714764.db2.gz ICAOZQPIWQWVSY-CQSZACIVSA-N 1 2 232.371 3.743 20 0 BHADLO Cc1cc[nH+]cc1NCc1ccccc1C1CC1 ZINC000094519859 541383132 /nfs/dbraw/zinc/38/31/32/541383132.db2.gz SURNLNZDAXMHKZ-UHFFFAOYSA-N 1 2 238.334 3.880 20 0 BHADLO Cc1[nH+]cccc1NCc1ccccc1C1CC1 ZINC000094520315 537840298 /nfs/dbraw/zinc/84/02/98/537840298.db2.gz XKSFRULTGIVBID-UHFFFAOYSA-N 1 2 238.334 3.880 20 0 BHADLO Cc1ccc(NCc2ccc(F)cc2F)c(C)[nH+]1 ZINC000094664053 325778897 /nfs/dbraw/zinc/77/88/97/325778897.db2.gz QXJPHNBCSBPRBI-UHFFFAOYSA-N 1 2 248.276 3.589 20 0 BHADLO Cc1ccc(CNc2ccc(C)[nH+]c2C)cc1 ZINC000094664126 360313981 /nfs/dbraw/zinc/31/39/81/360313981.db2.gz SSTSSMLQBVWCHW-UHFFFAOYSA-N 1 2 226.323 3.619 20 0 BHADLO Cc1ccc(NCc2ccc(F)c(C)c2)c(C)[nH+]1 ZINC000094664168 360314056 /nfs/dbraw/zinc/31/40/56/360314056.db2.gz UFCRSDNQQRQIPQ-UHFFFAOYSA-N 1 2 244.313 3.758 20 0 BHADLO Cc1ccc(NCc2ccc(Cl)cc2)c(C)[nH+]1 ZINC000094664215 360314250 /nfs/dbraw/zinc/31/42/50/360314250.db2.gz ICJXBJZLUYMECD-UHFFFAOYSA-N 1 2 246.741 3.964 20 0 BHADLO Cc1cc(CNc2ccc(C)[nH+]c2C)c(C)s1 ZINC000094664299 388866579 /nfs/dbraw/zinc/86/65/79/388866579.db2.gz CCEPJYNJYKDOJX-UHFFFAOYSA-N 1 2 246.379 3.989 20 0 BHADLO Cc1ccc(NCc2ccccc2C)c(C)[nH+]1 ZINC000094664355 360314136 /nfs/dbraw/zinc/31/41/36/360314136.db2.gz KFBQLEUUKJJBDI-UHFFFAOYSA-N 1 2 226.323 3.619 20 0 BHADLO Cc1ccc(NCc2ccc(F)cc2C)c(C)[nH+]1 ZINC000094664402 360313812 /nfs/dbraw/zinc/31/38/12/360313812.db2.gz GDIPJQCKUDILSA-UHFFFAOYSA-N 1 2 244.313 3.758 20 0 BHADLO Cc1ccc(NCc2cccc(Cl)c2)c(C)[nH+]1 ZINC000094664498 360313932 /nfs/dbraw/zinc/31/39/32/360313932.db2.gz BXDCKUNLVNSYEN-UHFFFAOYSA-N 1 2 246.741 3.964 20 0 BHADLO Cc1ccc(NCc2cccc(F)c2F)c(C)[nH+]1 ZINC000094664510 325778612 /nfs/dbraw/zinc/77/86/12/325778612.db2.gz WINXXJRTPCFOBA-UHFFFAOYSA-N 1 2 248.276 3.589 20 0 BHADLO Cc1ccc(NCc2cccc(C)c2C)c(C)[nH+]1 ZINC000094664615 360313648 /nfs/dbraw/zinc/31/36/48/360313648.db2.gz PCYQLACZNKRBBI-UHFFFAOYSA-N 1 2 240.350 3.927 20 0 BHADLO Cc1ccc(NCc2c(F)cccc2F)c(C)[nH+]1 ZINC000094664636 360313755 /nfs/dbraw/zinc/31/37/55/360313755.db2.gz MGALFTZOLGXHAO-UHFFFAOYSA-N 1 2 248.276 3.589 20 0 BHADLO Cc1ccc(NCc2cc(F)ccc2F)c(C)[nH+]1 ZINC000094664724 360314114 /nfs/dbraw/zinc/31/41/14/360314114.db2.gz ZWRJKSJTJCVTNR-UHFFFAOYSA-N 1 2 248.276 3.589 20 0 BHADLO Cc1ccc(NCc2ccccc2Cl)c(C)[nH+]1 ZINC000094664743 360314179 /nfs/dbraw/zinc/31/41/79/360314179.db2.gz NARLQYNRNFLZIU-UHFFFAOYSA-N 1 2 246.741 3.964 20 0 BHADLO Cc1ccc(NCc2ccc(C)c(F)c2)c(C)[nH+]1 ZINC000094664764 360313603 /nfs/dbraw/zinc/31/36/03/360313603.db2.gz AMDNCKOXZUKPNT-UHFFFAOYSA-N 1 2 244.313 3.758 20 0 BHADLO Cc1ccc(NCc2ccc(F)c(F)c2)c(C)[nH+]1 ZINC000094664781 360314008 /nfs/dbraw/zinc/31/40/08/360314008.db2.gz FFRFEGDAYMXXHB-UHFFFAOYSA-N 1 2 248.276 3.589 20 0 BHADLO CCc1ccc(CNc2ccc(C)[nH+]c2C)s1 ZINC000094664795 388866446 /nfs/dbraw/zinc/86/64/46/388866446.db2.gz SYXXFWKZXHBBMO-UHFFFAOYSA-N 1 2 246.379 3.934 20 0 BHADLO Cc1ccc(N[C@@H]2CCc3ccccc32)c(C)[nH+]1 ZINC000094664872 360314047 /nfs/dbraw/zinc/31/40/47/360314047.db2.gz CMBMXQCLCLWBLT-MRXNPFEDSA-N 1 2 238.334 3.798 20 0 BHADLO Cc1ccc(N[C@H]2CCc3ccccc32)c(C)[nH+]1 ZINC000094664873 360313878 /nfs/dbraw/zinc/31/38/78/360313878.db2.gz CMBMXQCLCLWBLT-INIZCTEOSA-N 1 2 238.334 3.798 20 0 BHADLO Cc1cccc(CNc2ccc(C)[nH+]c2C)c1 ZINC000094664878 360313960 /nfs/dbraw/zinc/31/39/60/360313960.db2.gz IGBPBXDELYQKFM-UHFFFAOYSA-N 1 2 226.323 3.619 20 0 BHADLO C[C@H](Nc1ccc([NH+](C)C)cc1)c1ccoc1 ZINC000094867812 644732769 /nfs/dbraw/zinc/73/27/69/644732769.db2.gz IJIGRSYNWCQBDD-NSHDSACASA-N 1 2 230.311 3.519 20 0 BHADLO C[C@@H](Nc1ccc([NH+](C)C)cc1)c1ccoc1 ZINC000094867813 644733317 /nfs/dbraw/zinc/73/33/17/644733317.db2.gz IJIGRSYNWCQBDD-LLVKDONJSA-N 1 2 230.311 3.519 20 0 BHADLO Cc1cc([NH+](C)C)ccc1N[C@@H](C)c1ccoc1 ZINC000094867910 644733041 /nfs/dbraw/zinc/73/30/41/644733041.db2.gz QVGQGLJIYFBECU-LBPRGKRZSA-N 1 2 244.338 3.827 20 0 BHADLO Cc1cc([NH+](C)C)ccc1N[C@H](C)c1ccoc1 ZINC000094867911 644732087 /nfs/dbraw/zinc/73/20/87/644732087.db2.gz QVGQGLJIYFBECU-GFCCVEGCSA-N 1 2 244.338 3.827 20 0 BHADLO Cc1ccc(NC2CCCCCC2)c[nH+]1 ZINC000096033321 384425206 /nfs/dbraw/zinc/42/52/06/384425206.db2.gz QAISHKSEKLFBSE-UHFFFAOYSA-N 1 2 204.317 3.525 20 0 BHADLO Cc1ccc(N[C@@H](C)CCC(C)C)c[nH+]1 ZINC000096033348 384423924 /nfs/dbraw/zinc/42/39/24/384423924.db2.gz NRAJPEGFUNIFPD-LBPRGKRZSA-N 1 2 206.333 3.627 20 0 BHADLO Cc1ccc(N[C@H](C)CCC(C)C)c[nH+]1 ZINC000096033349 384425236 /nfs/dbraw/zinc/42/52/36/384425236.db2.gz NRAJPEGFUNIFPD-GFCCVEGCSA-N 1 2 206.333 3.627 20 0 BHADLO Cc1ccc(N[C@@H](C)c2cccs2)c[nH+]1 ZINC000096033382 384424071 /nfs/dbraw/zinc/42/40/71/384424071.db2.gz OVUYBKJRQLZXGO-JTQLQIEISA-N 1 2 218.325 3.625 20 0 BHADLO Cc1ccc(N[C@H](C)c2cccs2)c[nH+]1 ZINC000096033383 384424583 /nfs/dbraw/zinc/42/45/83/384424583.db2.gz OVUYBKJRQLZXGO-SNVBAGLBSA-N 1 2 218.325 3.625 20 0 BHADLO CC(C)c1ccc([C@@H](C)[NH2+]CC(F)F)cc1 ZINC000096525901 343759503 /nfs/dbraw/zinc/75/95/03/343759503.db2.gz LMGQPISEOBDKLH-SNVBAGLBSA-N 1 2 227.298 3.726 20 0 BHADLO CC(C)c1ccc([C@H](C)[NH2+]CC(F)F)cc1 ZINC000096525904 343759573 /nfs/dbraw/zinc/75/95/73/343759573.db2.gz LMGQPISEOBDKLH-JTQLQIEISA-N 1 2 227.298 3.726 20 0 BHADLO CC[C@H]([NH2+]CC(F)F)c1ccc(Cl)cc1 ZINC000096525966 343759541 /nfs/dbraw/zinc/75/95/41/343759541.db2.gz IHCYEHCXSRWYOK-JTQLQIEISA-N 1 2 233.689 3.646 20 0 BHADLO CC[C@@H]([NH2+]CC(F)F)c1ccc(Cl)cc1 ZINC000096525969 343760039 /nfs/dbraw/zinc/76/00/39/343760039.db2.gz IHCYEHCXSRWYOK-SNVBAGLBSA-N 1 2 233.689 3.646 20 0 BHADLO FC(F)C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000096525972 343760057 /nfs/dbraw/zinc/76/00/57/343760057.db2.gz VHNJARIHNVYYKH-GFCCVEGCSA-N 1 2 245.700 3.646 20 0 BHADLO FC(F)C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000096525975 343759758 /nfs/dbraw/zinc/75/97/58/343759758.db2.gz VHNJARIHNVYYKH-LBPRGKRZSA-N 1 2 245.700 3.646 20 0 BHADLO Cc1cc(C)c(NC(=O)C2CCCCC2)c(C)[nH+]1 ZINC000097039908 387235851 /nfs/dbraw/zinc/23/58/51/387235851.db2.gz UAINMORYWIVMDF-UHFFFAOYSA-N 1 2 246.354 3.526 20 0 BHADLO Cc1cc(C)c(NC(=O)CC2CCCC2)c(C)[nH+]1 ZINC000097039936 387235257 /nfs/dbraw/zinc/23/52/57/387235257.db2.gz BLPKZWUHLJDBLZ-UHFFFAOYSA-N 1 2 246.354 3.526 20 0 BHADLO CCCCCC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000097213706 386434637 /nfs/dbraw/zinc/43/46/37/386434637.db2.gz YOFMITMZCMJLEP-UHFFFAOYSA-N 1 2 234.343 3.526 20 0 BHADLO CCCCCSc1[nH+]cc2ccccn21 ZINC000097363307 487694285 /nfs/dbraw/zinc/69/42/85/487694285.db2.gz RDXPGMVRSITTKL-UHFFFAOYSA-N 1 2 220.341 3.617 20 0 BHADLO c1ccc(N2CCC3(CCCCC3)CC2)[nH+]c1 ZINC000098177174 353780976 /nfs/dbraw/zinc/78/09/76/353780976.db2.gz JHBARKUCTDHBMX-UHFFFAOYSA-N 1 2 230.355 3.632 20 0 BHADLO Cc1cc(Nc2ccccc2)nc(C(C)C)[nH+]1 ZINC000103286254 178194240 /nfs/dbraw/zinc/19/42/40/178194240.db2.gz MVXJQIBWXUFFBI-UHFFFAOYSA-N 1 2 227.311 3.652 20 0 BHADLO C[N@H+](Cc1cccc2ccccc21)CC(F)F ZINC000103489577 384637073 /nfs/dbraw/zinc/63/70/73/384637073.db2.gz SCFHHRHCMVPXBM-UHFFFAOYSA-N 1 2 235.277 3.537 20 0 BHADLO C[N@@H+](Cc1cccc2ccccc21)CC(F)F ZINC000103489577 384637072 /nfs/dbraw/zinc/63/70/72/384637072.db2.gz SCFHHRHCMVPXBM-UHFFFAOYSA-N 1 2 235.277 3.537 20 0 BHADLO Cc1cc(NC(=O)CCCC(C)(C)C)cc[nH+]1 ZINC000103519686 178128501 /nfs/dbraw/zinc/12/85/01/178128501.db2.gz IFPZZZRQLIXPBT-UHFFFAOYSA-N 1 2 234.343 3.545 20 0 BHADLO COc1cc([NH2+]C[C@H]2CCCC[C@H]2C)ccc1N ZINC000104245124 175002615 /nfs/dbraw/zinc/00/26/15/175002615.db2.gz YHSRYRQMXRBLDS-VXGBXAGGSA-N 1 2 248.370 3.516 20 0 BHADLO COc1cc([NH2+]C[C@H]2CCCC[C@@H]2C)ccc1N ZINC000104245130 175002255 /nfs/dbraw/zinc/00/22/55/175002255.db2.gz YHSRYRQMXRBLDS-NWDGAFQWSA-N 1 2 248.370 3.516 20 0 BHADLO COc1cc([NH2+]C[C@@H]2CCCC[C@H]2C)ccc1N ZINC000104245137 175002269 /nfs/dbraw/zinc/00/22/69/175002269.db2.gz YHSRYRQMXRBLDS-NEPJUHHUSA-N 1 2 248.370 3.516 20 0 BHADLO COc1cc([NH2+]C[C@@H]2CCCC[C@@H]2C)ccc1N ZINC000104245141 175002554 /nfs/dbraw/zinc/00/25/54/175002554.db2.gz YHSRYRQMXRBLDS-RYUDHWBXSA-N 1 2 248.370 3.516 20 0 BHADLO COc1ccc([NH2+]CCc2cccs2)c(C)c1 ZINC000104257556 175150387 /nfs/dbraw/zinc/15/03/87/175150387.db2.gz AWVNDYWOVLNAOV-UHFFFAOYSA-N 1 2 247.363 3.720 20 0 BHADLO CCOc1ccc([NH2+]CCc2cccs2)cc1 ZINC000104271869 587950420 /nfs/dbraw/zinc/95/04/20/587950420.db2.gz BZNIFRBBKCSIAK-UHFFFAOYSA-N 1 2 247.363 3.801 20 0 BHADLO Cc1ccc(C[N@H+](CC(F)F)C(C)C)s1 ZINC000106446328 385509709 /nfs/dbraw/zinc/50/97/09/385509709.db2.gz PHOVRGRSOJESMZ-UHFFFAOYSA-N 1 2 233.327 3.532 20 0 BHADLO Cc1ccc(C[N@@H+](CC(F)F)C(C)C)s1 ZINC000106446328 385509704 /nfs/dbraw/zinc/50/97/04/385509704.db2.gz PHOVRGRSOJESMZ-UHFFFAOYSA-N 1 2 233.327 3.532 20 0 BHADLO Cc1ccc(CNc2cc[nH+]c(C(C)C)n2)cc1 ZINC000106462114 385509555 /nfs/dbraw/zinc/50/95/55/385509555.db2.gz BRXIVACNKTWRNH-UHFFFAOYSA-N 1 2 241.338 3.521 20 0 BHADLO Cc1c[nH+]ccc1NC(=O)C[C@@H]1CCC[C@H](C)C1 ZINC000107285038 385562605 /nfs/dbraw/zinc/56/26/05/385562605.db2.gz BOHJEJLREBIQSC-WCQYABFASA-N 1 2 246.354 3.545 20 0 BHADLO Cc1c[nH+]ccc1NC(=O)C[C@H]1CCC[C@H](C)C1 ZINC000107285042 179707322 /nfs/dbraw/zinc/70/73/22/179707322.db2.gz BOHJEJLREBIQSC-AAEUAGOBSA-N 1 2 246.354 3.545 20 0 BHADLO Cc1c[nH+]ccc1NC(=O)C[C@@H]1CCC[C@@H](C)C1 ZINC000107285046 179706813 /nfs/dbraw/zinc/70/68/13/179706813.db2.gz BOHJEJLREBIQSC-DGCLKSJQSA-N 1 2 246.354 3.545 20 0 BHADLO Cc1c[nH+]ccc1NC(=O)C[C@H]1CCC[C@@H](C)C1 ZINC000107285047 385562704 /nfs/dbraw/zinc/56/27/04/385562704.db2.gz BOHJEJLREBIQSC-YPMHNXCESA-N 1 2 246.354 3.545 20 0 BHADLO Cc1c[nH+]ccc1NC(=O)CCCC(C)(C)C ZINC000107291493 384960948 /nfs/dbraw/zinc/96/09/48/384960948.db2.gz YHBCHMJXQPRCMR-UHFFFAOYSA-N 1 2 234.343 3.545 20 0 BHADLO Cc1c[nH+]ccc1NC(=O)CCC1CCCCC1 ZINC000107293382 385560951 /nfs/dbraw/zinc/56/09/51/385560951.db2.gz UZJGQEWGBWBDIC-UHFFFAOYSA-N 1 2 246.354 3.689 20 0 BHADLO Clc1ccc([C@@H]2C[C@H]2Nc2cccc[nH+]2)cc1 ZINC000107672592 388004173 /nfs/dbraw/zinc/00/41/73/388004173.db2.gz BDHQRGNDIYFWGH-QWHCGFSZSA-N 1 2 244.725 3.703 20 0 BHADLO CC(C)c1nc(N[C@@H](C)c2ccccc2)cc[nH+]1 ZINC000110110691 490103821 /nfs/dbraw/zinc/10/38/21/490103821.db2.gz IUQGTTSJHBOCNE-LBPRGKRZSA-N 1 2 241.338 3.773 20 0 BHADLO CC(C)c1nc(N[C@H](C)c2ccccc2)cc[nH+]1 ZINC000110110693 490103865 /nfs/dbraw/zinc/10/38/65/490103865.db2.gz IUQGTTSJHBOCNE-GFCCVEGCSA-N 1 2 241.338 3.773 20 0 BHADLO C[C@H](Nc1cc[nH+]c(C2CC2)n1)c1ccccc1 ZINC000110110696 385212878 /nfs/dbraw/zinc/21/28/78/385212878.db2.gz MGJPTCQBRCXFHX-NSHDSACASA-N 1 2 239.322 3.527 20 0 BHADLO C[C@@H](Nc1cc[nH+]c(C2CC2)n1)c1ccccc1 ZINC000110110699 385211566 /nfs/dbraw/zinc/21/15/66/385211566.db2.gz MGJPTCQBRCXFHX-LLVKDONJSA-N 1 2 239.322 3.527 20 0 BHADLO Cc1ccccc1CNc1cc[nH+]c(C(C)C)n1 ZINC000110114703 179286329 /nfs/dbraw/zinc/28/63/29/179286329.db2.gz DDHQXVCCDDULCB-UHFFFAOYSA-N 1 2 241.338 3.521 20 0 BHADLO Cc1cccc(CNc2cc[nH+]c(C(C)C)n2)c1 ZINC000110127699 179102906 /nfs/dbraw/zinc/10/29/06/179102906.db2.gz OGFILEBHMHGHKE-UHFFFAOYSA-N 1 2 241.338 3.521 20 0 BHADLO COc1cc([NH2+]CCC2CCCCC2)ccc1N ZINC000111050574 588718342 /nfs/dbraw/zinc/71/83/42/588718342.db2.gz BTBXCFUWBPKFDJ-UHFFFAOYSA-N 1 2 248.370 3.660 20 0 BHADLO COc1cc([NH2+][C@@H](C)C2CCCCC2)ccc1N ZINC000111055530 588718562 /nfs/dbraw/zinc/71/85/62/588718562.db2.gz SGCXZSPFOLKTBC-NSHDSACASA-N 1 2 248.370 3.658 20 0 BHADLO COc1cc([NH2+][C@H](C)C2CCCCC2)ccc1N ZINC000111055533 588718538 /nfs/dbraw/zinc/71/85/38/588718538.db2.gz SGCXZSPFOLKTBC-LLVKDONJSA-N 1 2 248.370 3.658 20 0 BHADLO CCCC[C@@H](CC)C(=O)Nc1cc[nH+]c(C)c1 ZINC000112298295 350654390 /nfs/dbraw/zinc/65/43/90/350654390.db2.gz VWGMZMFESVSTII-GFCCVEGCSA-N 1 2 234.343 3.545 20 0 BHADLO CCCC[C@H](CC)C(=O)Nc1cc[nH+]c(C)c1 ZINC000112298296 350654458 /nfs/dbraw/zinc/65/44/58/350654458.db2.gz VWGMZMFESVSTII-LBPRGKRZSA-N 1 2 234.343 3.545 20 0 BHADLO Cc1ccc([N@H+](CC2CCOCC2)C(C)C)cc1 ZINC000112697467 588812825 /nfs/dbraw/zinc/81/28/25/588812825.db2.gz DVXPYBGFYONEFO-UHFFFAOYSA-N 1 2 247.382 3.636 20 0 BHADLO Cc1ccc([N@@H+](CC2CCOCC2)C(C)C)cc1 ZINC000112697467 588812824 /nfs/dbraw/zinc/81/28/24/588812824.db2.gz DVXPYBGFYONEFO-UHFFFAOYSA-N 1 2 247.382 3.636 20 0 BHADLO Cc1ccccc1[N@H+](CC1CCOCC1)C(C)C ZINC000112697780 323171660 /nfs/dbraw/zinc/17/16/60/323171660.db2.gz OGYNIKJOBRTYGF-UHFFFAOYSA-N 1 2 247.382 3.636 20 0 BHADLO Cc1ccccc1[N@@H+](CC1CCOCC1)C(C)C ZINC000112697780 323171659 /nfs/dbraw/zinc/17/16/59/323171659.db2.gz OGYNIKJOBRTYGF-UHFFFAOYSA-N 1 2 247.382 3.636 20 0 BHADLO Cc1ccsc1C[N@H+](CC(F)F)C(C)C ZINC000112977694 398332573 /nfs/dbraw/zinc/33/25/73/398332573.db2.gz UFKOGKPDPWTWNX-UHFFFAOYSA-N 1 2 233.327 3.532 20 0 BHADLO Cc1ccsc1C[N@@H+](CC(F)F)C(C)C ZINC000112977694 398332572 /nfs/dbraw/zinc/33/25/72/398332572.db2.gz UFKOGKPDPWTWNX-UHFFFAOYSA-N 1 2 233.327 3.532 20 0 BHADLO COCCCC[N@H+](c1ccc(C)cc1)C(C)C ZINC000114208645 588871916 /nfs/dbraw/zinc/87/19/16/588871916.db2.gz QMOWTVAKIRJWPY-UHFFFAOYSA-N 1 2 235.371 3.636 20 0 BHADLO COCCCC[N@@H+](c1ccc(C)cc1)C(C)C ZINC000114208645 588871915 /nfs/dbraw/zinc/87/19/15/588871915.db2.gz QMOWTVAKIRJWPY-UHFFFAOYSA-N 1 2 235.371 3.636 20 0 BHADLO Cc1c[nH+]ccc1NC(=O)[C@@H](C)CC1CCCC1 ZINC000114331954 384031238 /nfs/dbraw/zinc/03/12/38/384031238.db2.gz QWPFMMITLMIIBW-NSHDSACASA-N 1 2 246.354 3.545 20 0 BHADLO Cc1c[nH+]ccc1NC(=O)[C@H](C)CC1CCCC1 ZINC000114331956 384032594 /nfs/dbraw/zinc/03/25/94/384032594.db2.gz QWPFMMITLMIIBW-LLVKDONJSA-N 1 2 246.354 3.545 20 0 BHADLO Cc1cc(NC(=O)[C@@H](C)CC2CCCC2)cc[nH+]1 ZINC000114351798 178143016 /nfs/dbraw/zinc/14/30/16/178143016.db2.gz BGQCWEXESMBFFS-NSHDSACASA-N 1 2 246.354 3.545 20 0 BHADLO Cc1cc(NC(=O)[C@H](C)CC2CCCC2)cc[nH+]1 ZINC000114351800 178146727 /nfs/dbraw/zinc/14/67/27/178146727.db2.gz BGQCWEXESMBFFS-LLVKDONJSA-N 1 2 246.354 3.545 20 0 BHADLO Cc1ccc([C@@H]2CCCN2c2cccc[nH+]2)s1 ZINC000114710670 387129750 /nfs/dbraw/zinc/12/97/50/387129750.db2.gz OWEZMBAVKQFNHX-LBPRGKRZSA-N 1 2 244.363 3.793 20 0 BHADLO Cc1ccc([C@H]2CCCN2c2cccc[nH+]2)s1 ZINC000114710671 387128739 /nfs/dbraw/zinc/12/87/39/387128739.db2.gz OWEZMBAVKQFNHX-GFCCVEGCSA-N 1 2 244.363 3.793 20 0 BHADLO c1csc(-c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000115887193 345677404 /nfs/dbraw/zinc/67/74/04/345677404.db2.gz BKMHLMJNCPWYLO-UHFFFAOYSA-N 1 2 240.331 3.660 20 0 BHADLO COCCCCC[N@H+](c1ccccc1)C(C)C ZINC000116877747 388072261 /nfs/dbraw/zinc/07/22/61/388072261.db2.gz IIBWLUNSJIWVGU-UHFFFAOYSA-N 1 2 235.371 3.718 20 0 BHADLO COCCCCC[N@@H+](c1ccccc1)C(C)C ZINC000116877747 388072259 /nfs/dbraw/zinc/07/22/59/388072259.db2.gz IIBWLUNSJIWVGU-UHFFFAOYSA-N 1 2 235.371 3.718 20 0 BHADLO C[C@@H](C[N@@H+](CC(F)F)C1CC1)c1ccccc1 ZINC000116879051 388072480 /nfs/dbraw/zinc/07/24/80/388072480.db2.gz RJPDJXIPXWUKFO-NSHDSACASA-N 1 2 239.309 3.520 20 0 BHADLO C[C@@H](C[N@H+](CC(F)F)C1CC1)c1ccccc1 ZINC000116879051 388072478 /nfs/dbraw/zinc/07/24/78/388072478.db2.gz RJPDJXIPXWUKFO-NSHDSACASA-N 1 2 239.309 3.520 20 0 BHADLO C[C@H](C[N@@H+](CC(F)F)C1CC1)c1ccccc1 ZINC000116879053 388072043 /nfs/dbraw/zinc/07/20/43/388072043.db2.gz RJPDJXIPXWUKFO-LLVKDONJSA-N 1 2 239.309 3.520 20 0 BHADLO C[C@H](C[N@H+](CC(F)F)C1CC1)c1ccccc1 ZINC000116879053 388072039 /nfs/dbraw/zinc/07/20/39/388072039.db2.gz RJPDJXIPXWUKFO-LLVKDONJSA-N 1 2 239.309 3.520 20 0 BHADLO c1csc(SCc2cn3ccccc3[nH+]2)c1 ZINC000117110162 388082400 /nfs/dbraw/zinc/08/24/00/388082400.db2.gz ILUMLSFWCJVXBA-UHFFFAOYSA-N 1 2 246.360 3.688 20 0 BHADLO CCCC[C@@H](CC)CC(=O)Nc1cc[nH+]cc1C ZINC000117255437 388083627 /nfs/dbraw/zinc/08/36/27/388083627.db2.gz BGWHALRXHFZHSF-CYBMUJFWSA-N 1 2 248.370 3.935 20 0 BHADLO CCCC[C@H](CC)CC(=O)Nc1cc[nH+]cc1C ZINC000117255439 388084045 /nfs/dbraw/zinc/08/40/45/388084045.db2.gz BGWHALRXHFZHSF-ZDUSSCGKSA-N 1 2 248.370 3.935 20 0 BHADLO COCCCC[N@H+](c1ccccc1C)C(C)C ZINC000117879712 388092655 /nfs/dbraw/zinc/09/26/55/388092655.db2.gz QFJAXXFQLTXHLV-UHFFFAOYSA-N 1 2 235.371 3.636 20 0 BHADLO COCCCC[N@@H+](c1ccccc1C)C(C)C ZINC000117879712 388092653 /nfs/dbraw/zinc/09/26/53/388092653.db2.gz QFJAXXFQLTXHLV-UHFFFAOYSA-N 1 2 235.371 3.636 20 0 BHADLO CC[C@@H](CC(=O)Nc1ccc(C)[nH+]c1C)C(C)C ZINC000119048788 388101573 /nfs/dbraw/zinc/10/15/73/388101573.db2.gz WKMLRXZXQZHUQF-ZDUSSCGKSA-N 1 2 248.370 3.709 20 0 BHADLO CC[C@H](CC(=O)Nc1ccc(C)[nH+]c1C)C(C)C ZINC000119048909 388101689 /nfs/dbraw/zinc/10/16/89/388101689.db2.gz WKMLRXZXQZHUQF-CYBMUJFWSA-N 1 2 248.370 3.709 20 0 BHADLO Cc1ccc(NC(=O)C[C@@H](C)C(C)(C)C)c(C)[nH+]1 ZINC000119086784 388103876 /nfs/dbraw/zinc/10/38/76/388103876.db2.gz ARSMITVRQVBYCI-SNVBAGLBSA-N 1 2 248.370 3.709 20 0 BHADLO Cc1ccc(NC(=O)C[C@H](C)C(C)(C)C)c(C)[nH+]1 ZINC000119086901 388103300 /nfs/dbraw/zinc/10/33/00/388103300.db2.gz ARSMITVRQVBYCI-JTQLQIEISA-N 1 2 248.370 3.709 20 0 BHADLO Cc1ccc(NC(=O)CCC2CCCC2)c(C)[nH+]1 ZINC000119167838 384241707 /nfs/dbraw/zinc/24/17/07/384241707.db2.gz ZEBMHXNMOZBNCJ-UHFFFAOYSA-N 1 2 246.354 3.607 20 0 BHADLO C/C(=C/C(=O)Nc1ccc(C)[nH+]c1C)C(C)(C)C ZINC000119170185 589246972 /nfs/dbraw/zinc/24/69/72/589246972.db2.gz RWIJATBMKRKGLR-KTKRTIGZSA-N 1 2 246.354 3.629 20 0 BHADLO CCCC[C@@H](CC)C(=O)Nc1ccc(C)[nH+]c1C ZINC000119183649 388106569 /nfs/dbraw/zinc/10/65/69/388106569.db2.gz GHBJZKICCXGZOW-CYBMUJFWSA-N 1 2 248.370 3.853 20 0 BHADLO CCCC[C@H](CC)C(=O)Nc1ccc(C)[nH+]c1C ZINC000119183770 388106518 /nfs/dbraw/zinc/10/65/18/388106518.db2.gz GHBJZKICCXGZOW-ZDUSSCGKSA-N 1 2 248.370 3.853 20 0 BHADLO Cc1ccc(NC(=O)C[C@@H](C)CC(C)C)c(C)[nH+]1 ZINC000119227406 323918162 /nfs/dbraw/zinc/91/81/62/323918162.db2.gz DGZBZTUJSCSCOD-NSHDSACASA-N 1 2 248.370 3.709 20 0 BHADLO Cc1ccc(NC(=O)C[C@H](C)CC(C)C)c(C)[nH+]1 ZINC000119227470 323918383 /nfs/dbraw/zinc/91/83/83/323918383.db2.gz DGZBZTUJSCSCOD-LLVKDONJSA-N 1 2 248.370 3.709 20 0 BHADLO Cc1ccc(NC(=O)CCCC(C)(C)C)c(C)[nH+]1 ZINC000119228749 323918449 /nfs/dbraw/zinc/91/84/49/323918449.db2.gz SJGOYVQWHRCVLF-UHFFFAOYSA-N 1 2 248.370 3.853 20 0 BHADLO Cc1ccc(NCc2cc(F)cc(F)c2)c(C)[nH+]1 ZINC000119235502 387112407 /nfs/dbraw/zinc/11/24/07/387112407.db2.gz IBSITLNEJAMIRJ-UHFFFAOYSA-N 1 2 248.276 3.589 20 0 BHADLO CCCCCCC(=O)Nc1ccc(C)[nH+]c1C ZINC000119249072 589254115 /nfs/dbraw/zinc/25/41/15/589254115.db2.gz UPUCNRRJJBIEBU-UHFFFAOYSA-N 1 2 234.343 3.607 20 0 BHADLO Cc1c[nH+]ccc1NC(=O)C(C)(C)C1CCCC1 ZINC000119278643 384252936 /nfs/dbraw/zinc/25/29/36/384252936.db2.gz GQIFZIJNVGWIAZ-UHFFFAOYSA-N 1 2 246.354 3.545 20 0 BHADLO Cc1ccc(NC(=O)C2CCCCCC2)c(C)[nH+]1 ZINC000119315497 384257686 /nfs/dbraw/zinc/25/76/86/384257686.db2.gz PGEPCUPANMSXFY-UHFFFAOYSA-N 1 2 246.354 3.607 20 0 BHADLO Cc1ccc(NC(=O)CC2=CCCCC2)c(C)[nH+]1 ZINC000119362365 323922821 /nfs/dbraw/zinc/92/28/21/323922821.db2.gz MDQIGUSNGVDSHK-UHFFFAOYSA-N 1 2 244.338 3.527 20 0 BHADLO Cc1c[nH+]ccc1NC(=O)C1(CC(C)C)CCC1 ZINC000119552001 384284026 /nfs/dbraw/zinc/28/40/26/384284026.db2.gz JSTXMDOAPORVAW-UHFFFAOYSA-N 1 2 246.354 3.545 20 0 BHADLO Cc1c[nH+]cc(NCc2ccccc2Cl)c1 ZINC000119585792 387143266 /nfs/dbraw/zinc/14/32/66/387143266.db2.gz WUPZDOBIQZDNFZ-UHFFFAOYSA-N 1 2 232.714 3.656 20 0 BHADLO Cc1c[nH+]cc(NCc2cccc(C)c2C)c1 ZINC000119591213 387556081 /nfs/dbraw/zinc/55/60/81/387556081.db2.gz HGFMWHWICLRSDN-UHFFFAOYSA-N 1 2 226.323 3.619 20 0 BHADLO CSc1ccc(CNc2c[nH+]cc(C)c2)cc1 ZINC000119599762 188074179 /nfs/dbraw/zinc/07/41/79/188074179.db2.gz OWPQELRTBVDIME-UHFFFAOYSA-N 1 2 244.363 3.724 20 0 BHADLO Cc1c[nH+]cc(NCc2ccc3ncccc3c2)c1 ZINC000119624493 385134823 /nfs/dbraw/zinc/13/48/23/385134823.db2.gz VVEPMKJBMZSHGO-UHFFFAOYSA-N 1 2 249.317 3.550 20 0 BHADLO Cc1c[nH+]cc(NCc2ccc([C@@H]3C[C@@H]3C)o2)c1 ZINC000119630235 398327116 /nfs/dbraw/zinc/32/71/16/398327116.db2.gz MSBPHCAWOQDHFB-SMDDNHRTSA-N 1 2 242.322 3.719 20 0 BHADLO Cc1c[nH+]cc(NCc2ccc([C@H]3C[C@@H]3C)o2)c1 ZINC000119630370 398327265 /nfs/dbraw/zinc/32/72/65/398327265.db2.gz MSBPHCAWOQDHFB-FZMZJTMJSA-N 1 2 242.322 3.719 20 0 BHADLO Cc1c[nH+]cc(NCc2ccc([C@@H]3C[C@H]3C)o2)c1 ZINC000119630497 398327260 /nfs/dbraw/zinc/32/72/60/398327260.db2.gz MSBPHCAWOQDHFB-BXUZGUMPSA-N 1 2 242.322 3.719 20 0 BHADLO Cc1c[nH+]cc(NCc2ccc([C@H]3C[C@H]3C)o2)c1 ZINC000119630616 398327245 /nfs/dbraw/zinc/32/72/45/398327245.db2.gz MSBPHCAWOQDHFB-RISCZKNCSA-N 1 2 242.322 3.719 20 0 BHADLO Cn1cc[nH+]c1-c1cccc(NCC(C)(C)C)c1 ZINC000119997615 490054305 /nfs/dbraw/zinc/05/43/05/490054305.db2.gz HXQULZXIUQEPEW-UHFFFAOYSA-N 1 2 243.354 3.545 20 0 BHADLO Cc1ccoc1CNc1ccc([NH+](C)C)c(C)c1 ZINC000120160119 178176816 /nfs/dbraw/zinc/17/68/16/178176816.db2.gz YUFBFPYIWGJGTQ-UHFFFAOYSA-N 1 2 244.338 3.575 20 0 BHADLO Cc1ccc(CNc2ccc([NH+](C)C)c(C)c2)o1 ZINC000120162311 398336984 /nfs/dbraw/zinc/33/69/84/398336984.db2.gz QVBUFLPNMHARQX-UHFFFAOYSA-N 1 2 244.338 3.575 20 0 BHADLO Cc1cc(NC(=O)C2(CC(C)C)CCC2)cc[nH+]1 ZINC000120193843 178126047 /nfs/dbraw/zinc/12/60/47/178126047.db2.gz NPELFTOCFKDGEW-UHFFFAOYSA-N 1 2 246.354 3.545 20 0 BHADLO Cc1cc(NC(=O)C(C)(C)C2CCCC2)cc[nH+]1 ZINC000120760343 178123556 /nfs/dbraw/zinc/12/35/56/178123556.db2.gz AIVUEALZHROQJB-UHFFFAOYSA-N 1 2 246.354 3.545 20 0 BHADLO CCCCCCC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000121121826 711484381 /nfs/dbraw/zinc/48/43/81/711484381.db2.gz IZEIGDOYIJTABQ-UHFFFAOYSA-N 1 2 248.370 3.916 20 0 BHADLO Cc1ccc([NH2+]C(C)C)c(OCC(F)(F)F)c1 ZINC000121633714 324018601 /nfs/dbraw/zinc/01/86/01/324018601.db2.gz KXBVCUSZXRUGMK-UHFFFAOYSA-N 1 2 247.260 3.756 20 0 BHADLO Cc1cc([NH2+]C(C)C)ccc1OCC(F)(F)F ZINC000121871602 589536634 /nfs/dbraw/zinc/53/66/34/589536634.db2.gz CNOWUJSARIYRBF-UHFFFAOYSA-N 1 2 247.260 3.756 20 0 BHADLO CC(C)c1ccc(SCCn2cc[nH+]c2)cc1 ZINC000121895557 324024815 /nfs/dbraw/zinc/02/48/15/324024815.db2.gz MGLLXQHSODFQGW-UHFFFAOYSA-N 1 2 246.379 3.799 20 0 BHADLO Cc1cccc2[nH+]c3c(c(C)c12)CSCC3 ZINC000122068552 324026516 /nfs/dbraw/zinc/02/65/16/324026516.db2.gz IURCJYWYZUTHTK-UHFFFAOYSA-N 1 2 229.348 3.641 20 0 BHADLO c1ccc2[nH+]c(NC[C@@H]3CCCS3)ccc2c1 ZINC000122109969 411499346 /nfs/dbraw/zinc/49/93/46/411499346.db2.gz QUIXTGCWGHHFHG-LBPRGKRZSA-N 1 2 244.363 3.542 20 0 BHADLO c1ccc2[nH+]c(NC[C@H]3CCCS3)ccc2c1 ZINC000122110101 411498696 /nfs/dbraw/zinc/49/86/96/411498696.db2.gz QUIXTGCWGHHFHG-GFCCVEGCSA-N 1 2 244.363 3.542 20 0 BHADLO CSc1ccc(NCc2cc(C)oc2C)[nH+]c1 ZINC000122227619 589566772 /nfs/dbraw/zinc/56/67/72/589566772.db2.gz BTIAOHREZRYHFM-UHFFFAOYSA-N 1 2 248.351 3.625 20 0 BHADLO Cc1c[nH+]ccc1NC(=O)CC1(C)CCCCC1 ZINC000122336036 387514318 /nfs/dbraw/zinc/51/43/18/387514318.db2.gz DJZFSVVVGLWYOA-UHFFFAOYSA-N 1 2 246.354 3.689 20 0 BHADLO CCCC(CCC)C(=O)Nc1cc[nH+]cc1C ZINC000122337121 324039105 /nfs/dbraw/zinc/03/91/05/324039105.db2.gz MJFCZUVSIHRZGA-UHFFFAOYSA-N 1 2 234.343 3.545 20 0 BHADLO Cc1cc(CNc2ccc([NH+](C)C)cc2)c(C)o1 ZINC000122618640 589610153 /nfs/dbraw/zinc/61/01/53/589610153.db2.gz FNNUVNMECVWWKY-UHFFFAOYSA-N 1 2 244.338 3.575 20 0 BHADLO FC(F)(F)c1cc[nH+]c(NCCC2CCC2)c1 ZINC000122971395 386541013 /nfs/dbraw/zinc/54/10/13/386541013.db2.gz XKNPTPRIUQQNFE-UHFFFAOYSA-N 1 2 244.260 3.703 20 0 BHADLO Cc1ccc(C)c(NCc2[nH+]ccn2C(C)C)c1 ZINC000123588572 384569933 /nfs/dbraw/zinc/56/99/33/384569933.db2.gz VENIMLQYJSDELO-UHFFFAOYSA-N 1 2 243.354 3.693 20 0 BHADLO Cc1cccc(NCc2[nH+]ccn2C(C)C)c1C ZINC000123597704 179151953 /nfs/dbraw/zinc/15/19/53/179151953.db2.gz WZLUOTVOYVUOLQ-UHFFFAOYSA-N 1 2 243.354 3.693 20 0 BHADLO Cc1ccc(NCc2[nH+]ccn2C(C)C)c(C)c1 ZINC000123598832 384570014 /nfs/dbraw/zinc/57/00/14/384570014.db2.gz QDCXLVUCCAOJOP-UHFFFAOYSA-N 1 2 243.354 3.693 20 0 BHADLO CC(C)n1cc[nH+]c1CNc1ccccc1Cl ZINC000123599857 384571042 /nfs/dbraw/zinc/57/10/42/384571042.db2.gz DSKUCAFUFXNSRH-UHFFFAOYSA-N 1 2 249.745 3.730 20 0 BHADLO CC(C)n1cc[nH+]c1CNc1cccc(Cl)c1 ZINC000123601742 384570575 /nfs/dbraw/zinc/57/05/75/384570575.db2.gz XHGQSRUKCZMQCH-UHFFFAOYSA-N 1 2 249.745 3.730 20 0 BHADLO CC(C)n1cc[nH+]c1CNc1ccc(Cl)cc1 ZINC000123605637 167776871 /nfs/dbraw/zinc/77/68/71/167776871.db2.gz JKFCOVNZCDVRGT-UHFFFAOYSA-N 1 2 249.745 3.730 20 0 BHADLO Cc1ccc(F)cc1NCc1[nH+]ccn1C(C)C ZINC000123628937 384572693 /nfs/dbraw/zinc/57/26/93/384572693.db2.gz BUVVORWKGMWRJM-UHFFFAOYSA-N 1 2 247.317 3.524 20 0 BHADLO Cc1ccc(NCc2[nH+]ccn2C(C)C)cc1F ZINC000123631948 387588768 /nfs/dbraw/zinc/58/87/68/387588768.db2.gz SVPQNXJEKKLAOK-UHFFFAOYSA-N 1 2 247.317 3.524 20 0 BHADLO Cc1ccc(NCc2[nH+]ccn2C(C)C)c(F)c1 ZINC000123644985 384573509 /nfs/dbraw/zinc/57/35/09/384573509.db2.gz IBNKWSYMQHNLGF-UHFFFAOYSA-N 1 2 247.317 3.524 20 0 BHADLO CCc1ccccc1NCc1[nH+]ccn1C(C)C ZINC000123675596 488076255 /nfs/dbraw/zinc/07/62/55/488076255.db2.gz UQDICFJZVGSGKE-UHFFFAOYSA-N 1 2 243.354 3.639 20 0 BHADLO Cc1cc(F)ccc1NCc1[nH+]ccn1C(C)C ZINC000123685691 178089878 /nfs/dbraw/zinc/08/98/78/178089878.db2.gz JGFIFOLSPRPHKQ-UHFFFAOYSA-N 1 2 247.317 3.524 20 0 BHADLO c1cn(CCCc2cccc3ccccc32)c[nH+]1 ZINC000123776364 387594353 /nfs/dbraw/zinc/59/43/53/387594353.db2.gz YQGVJKPNUVFBRX-UHFFFAOYSA-N 1 2 236.318 3.669 20 0 BHADLO CCc1ccc(NCc2[nH+]ccn2C(C)C)cc1 ZINC000123826992 384586784 /nfs/dbraw/zinc/58/67/84/384586784.db2.gz YLEQQGVHQYFIPN-UHFFFAOYSA-N 1 2 243.354 3.639 20 0 BHADLO Cc1ccc(NCc2[nH+]ccn2C(C)C)cc1C ZINC000123832680 384587595 /nfs/dbraw/zinc/58/75/95/384587595.db2.gz KDKFLNLENANDAN-UHFFFAOYSA-N 1 2 243.354 3.693 20 0 BHADLO Cc1cc(C)cc(NCc2[nH+]ccn2C(C)C)c1 ZINC000123841494 384590807 /nfs/dbraw/zinc/59/08/07/384590807.db2.gz QVQWNHILURHOBD-UHFFFAOYSA-N 1 2 243.354 3.693 20 0 BHADLO Cc1cc(NCc2[nH+]ccn2C(C)C)ccc1F ZINC000124383669 178175935 /nfs/dbraw/zinc/17/59/35/178175935.db2.gz JXNVXMNQZWMGJA-UHFFFAOYSA-N 1 2 247.317 3.524 20 0 BHADLO CCCCCn1c[nH+]c2cc(F)c(F)cc21 ZINC000124462557 324617484 /nfs/dbraw/zinc/61/74/84/324617484.db2.gz CQYFULMSQFFKPK-UHFFFAOYSA-N 1 2 224.254 3.505 20 0 BHADLO Cc1c(F)cccc1NCc1[nH+]ccn1C(C)C ZINC000124729741 398339004 /nfs/dbraw/zinc/33/90/04/398339004.db2.gz WIMURTISYZIXHQ-UHFFFAOYSA-N 1 2 247.317 3.524 20 0 BHADLO Cc1cc(NCC(C)(C)C)ccc1[NH+](C)C ZINC000124907880 590097675 /nfs/dbraw/zinc/09/76/75/590097675.db2.gz PERKUDKWEZEATP-UHFFFAOYSA-N 1 2 220.360 3.519 20 0 BHADLO Cc1c[nH+]cc(NC2CCCCCC2)c1 ZINC000125081317 388668274 /nfs/dbraw/zinc/66/82/74/388668274.db2.gz SABIGFJJLBKTPU-UHFFFAOYSA-N 1 2 204.317 3.525 20 0 BHADLO Cc1c[nH+]cc(NCc2cccc(Cl)c2)c1 ZINC000125083118 387644460 /nfs/dbraw/zinc/64/44/60/387644460.db2.gz UDRYLDFEUMNOIK-UHFFFAOYSA-N 1 2 232.714 3.656 20 0 BHADLO Cc1c[nH+]cc(NCc2ccc(Cl)cc2)c1 ZINC000125090880 387643288 /nfs/dbraw/zinc/64/32/88/387643288.db2.gz MRTGXPOALLNNOI-UHFFFAOYSA-N 1 2 232.714 3.656 20 0 BHADLO Cc1c[nH+]cc(NCc2ccc(Cl)s2)c1 ZINC000125095579 386222745 /nfs/dbraw/zinc/22/27/45/386222745.db2.gz QSNTVDLDSKFARX-UHFFFAOYSA-N 1 2 238.743 3.717 20 0 BHADLO CSc1ccc(NC[C@H]2CC=CCC2)[nH+]c1 ZINC000125756346 398095291 /nfs/dbraw/zinc/09/52/91/398095291.db2.gz QCLLBPJSNQIVFB-NSHDSACASA-N 1 2 234.368 3.572 20 0 BHADLO CSc1ccc(NC[C@@H]2CC=CCC2)[nH+]c1 ZINC000125756557 398095263 /nfs/dbraw/zinc/09/52/63/398095263.db2.gz QCLLBPJSNQIVFB-LLVKDONJSA-N 1 2 234.368 3.572 20 0 BHADLO c1cn(-c2ccc(CSCC3CC3)cc2)c[nH+]1 ZINC000126032145 387671014 /nfs/dbraw/zinc/67/10/14/387671014.db2.gz AVYBAEFBQOFPHO-UHFFFAOYSA-N 1 2 244.363 3.516 20 0 BHADLO Cc1cccn2cc(CSCC(C)C)[nH+]c12 ZINC000126114740 324680510 /nfs/dbraw/zinc/68/05/10/324680510.db2.gz WIFATOHTJGUPMZ-UHFFFAOYSA-N 1 2 234.368 3.532 20 0 BHADLO CCCC(CCC)SCc1[nH+]ccn1C ZINC000126525482 324702018 /nfs/dbraw/zinc/70/20/18/324702018.db2.gz OJTOOYHTILOXLZ-UHFFFAOYSA-N 1 2 226.389 3.622 20 0 BHADLO c1c2ccccc2sc1CNc1cccc[nH+]1 ZINC000126815897 343715252 /nfs/dbraw/zinc/71/52/52/343715252.db2.gz CJSYLJGYZZUNFP-UHFFFAOYSA-N 1 2 240.331 3.908 20 0 BHADLO CCSCc1cc[nH+]c(NCC(C)(C)C)c1 ZINC000126941706 342806306 /nfs/dbraw/zinc/80/63/06/342806306.db2.gz VEIHPYPWKWLSDB-UHFFFAOYSA-N 1 2 238.400 3.793 20 0 BHADLO Cc1ccc(NCc2ccc([C@@H]3C[C@@H]3C)o2)c[nH+]1 ZINC000128030700 388736668 /nfs/dbraw/zinc/73/66/68/388736668.db2.gz KXCZOMFPWAEFLM-IINYFYTJSA-N 1 2 242.322 3.719 20 0 BHADLO Cc1ccc(NCc2ccc([C@H]3C[C@@H]3C)o2)c[nH+]1 ZINC000128030936 324801108 /nfs/dbraw/zinc/80/11/08/324801108.db2.gz KXCZOMFPWAEFLM-HZMBPMFUSA-N 1 2 242.322 3.719 20 0 BHADLO Cc1ccc(NCc2ccc([C@@H]3C[C@H]3C)o2)c[nH+]1 ZINC000128031151 388736876 /nfs/dbraw/zinc/73/68/76/388736876.db2.gz KXCZOMFPWAEFLM-QMTHXVAHSA-N 1 2 242.322 3.719 20 0 BHADLO Cc1ccc(NCc2ccc([C@H]3C[C@H]3C)o2)c[nH+]1 ZINC000128031360 388736617 /nfs/dbraw/zinc/73/66/17/388736617.db2.gz KXCZOMFPWAEFLM-YGRLFVJLSA-N 1 2 242.322 3.719 20 0 BHADLO Cc1ccc(NCc2cc3ccccc3o2)c[nH+]1 ZINC000128036661 387734646 /nfs/dbraw/zinc/73/46/46/387734646.db2.gz XNTFFJCDZXKMSI-UHFFFAOYSA-N 1 2 238.290 3.748 20 0 BHADLO Cc1ccc(NCc2cccc3cccnc32)c[nH+]1 ZINC000128052048 385118473 /nfs/dbraw/zinc/11/84/73/385118473.db2.gz UTMCDMYRBMZHBY-UHFFFAOYSA-N 1 2 249.317 3.550 20 0 BHADLO Cc1ccc(NCc2ccc3ncccc3c2)c[nH+]1 ZINC000128080070 384930422 /nfs/dbraw/zinc/93/04/22/384930422.db2.gz YFRXEIIUDYEHLK-UHFFFAOYSA-N 1 2 249.317 3.550 20 0 BHADLO CC[C@@H](C)Oc1ccc([NH2+]C(C)C)cc1 ZINC000128556594 591120615 /nfs/dbraw/zinc/12/06/15/591120615.db2.gz FSWRLAKSAHBKNN-LLVKDONJSA-N 1 2 207.317 3.684 20 0 BHADLO CC[C@H](C)Oc1ccc([NH2+]C(C)C)cc1 ZINC000128556834 591119657 /nfs/dbraw/zinc/11/96/57/591119657.db2.gz FSWRLAKSAHBKNN-NSHDSACASA-N 1 2 207.317 3.684 20 0 BHADLO CCCOc1ccc([NH2+]C(C)C)c(C)c1 ZINC000128599926 591131376 /nfs/dbraw/zinc/13/13/76/591131376.db2.gz DJGFVHCRSSZTLC-UHFFFAOYSA-N 1 2 207.317 3.604 20 0 BHADLO CC(C)[NH2+]c1ccc(N2CCCC2)c(Cl)c1 ZINC000128625069 591141085 /nfs/dbraw/zinc/14/10/85/591141085.db2.gz QOSBASNMMMKXHK-UHFFFAOYSA-N 1 2 238.762 3.761 20 0 BHADLO CCCCN(C)c1ccc([NH2+]C(C)C)cc1 ZINC000128647567 591146252 /nfs/dbraw/zinc/14/62/52/591146252.db2.gz UIQUDPGQZVMHJE-UHFFFAOYSA-N 1 2 220.360 3.743 20 0 BHADLO CCCC(CCC)C(=O)Nc1cc[nH+]c(C)c1 ZINC000128693178 324872349 /nfs/dbraw/zinc/87/23/49/324872349.db2.gz GCLOPRJTKLPTPP-UHFFFAOYSA-N 1 2 234.343 3.545 20 0 BHADLO Cc1ccc(N[C@@H](C)Cc2cccc(F)c2)c[nH+]1 ZINC000128722692 591156868 /nfs/dbraw/zinc/15/68/68/591156868.db2.gz RHTCDJNHYXXHNF-LBPRGKRZSA-N 1 2 244.313 3.572 20 0 BHADLO Cc1ccc(N[C@H](C)Cc2cccc(F)c2)c[nH+]1 ZINC000128722927 591156205 /nfs/dbraw/zinc/15/62/05/591156205.db2.gz RHTCDJNHYXXHNF-GFCCVEGCSA-N 1 2 244.313 3.572 20 0 BHADLO Cc1ccc(N[C@@H](C)Cc2ccc(F)cc2)c[nH+]1 ZINC000128723182 388789815 /nfs/dbraw/zinc/78/98/15/388789815.db2.gz AVPSOTJYXPTMCJ-LBPRGKRZSA-N 1 2 244.313 3.572 20 0 BHADLO Cc1ccc(N[C@H](C)Cc2ccc(F)cc2)c[nH+]1 ZINC000128723442 388789665 /nfs/dbraw/zinc/78/96/65/388789665.db2.gz AVPSOTJYXPTMCJ-GFCCVEGCSA-N 1 2 244.313 3.572 20 0 BHADLO CC(C)CCCn1c[nH+]c2cc(F)c(F)cc21 ZINC000128987767 324904627 /nfs/dbraw/zinc/90/46/27/324904627.db2.gz QMASAZSEFPGKBR-UHFFFAOYSA-N 1 2 238.281 3.751 20 0 BHADLO CCSCc1cc[nH+]c(NC[C@H](C)CC)c1 ZINC000129140489 387763045 /nfs/dbraw/zinc/76/30/45/387763045.db2.gz RYYNZXPJQFYSEP-LLVKDONJSA-N 1 2 238.400 3.793 20 0 BHADLO CCSCc1cc[nH+]c(NC[C@@H](C)CC)c1 ZINC000129140721 387764554 /nfs/dbraw/zinc/76/45/54/387764554.db2.gz RYYNZXPJQFYSEP-NSHDSACASA-N 1 2 238.400 3.793 20 0 BHADLO COc1ccc([NH2+][C@H]2CCC(C)(C)C2)c(OC)c1 ZINC000129196793 591267465 /nfs/dbraw/zinc/26/74/65/591267465.db2.gz GPJUFSNNUJVSNE-NSHDSACASA-N 1 2 249.354 3.694 20 0 BHADLO COc1ccc([NH2+][C@@H]2CCC(C)(C)C2)c(OC)c1 ZINC000129196994 591267565 /nfs/dbraw/zinc/26/75/65/591267565.db2.gz GPJUFSNNUJVSNE-LLVKDONJSA-N 1 2 249.354 3.694 20 0 BHADLO C[NH+](C)c1ccc(N[C@H]2CCC(C)(C)C2)cc1 ZINC000129288148 591276091 /nfs/dbraw/zinc/27/60/91/591276091.db2.gz HZGLDKPTCXXVIZ-ZDUSSCGKSA-N 1 2 232.371 3.743 20 0 BHADLO CN(C)c1ccc([NH2+][C@H]2CCC(C)(C)C2)cc1 ZINC000129288148 591276089 /nfs/dbraw/zinc/27/60/89/591276089.db2.gz HZGLDKPTCXXVIZ-ZDUSSCGKSA-N 1 2 232.371 3.743 20 0 BHADLO C[NH+](C)c1ccc(N[C@@H]2CCC(C)(C)C2)cc1 ZINC000129288362 591275976 /nfs/dbraw/zinc/27/59/76/591275976.db2.gz HZGLDKPTCXXVIZ-CYBMUJFWSA-N 1 2 232.371 3.743 20 0 BHADLO CN(C)c1ccc([NH2+][C@@H]2CCC(C)(C)C2)cc1 ZINC000129288362 591275974 /nfs/dbraw/zinc/27/59/74/591275974.db2.gz HZGLDKPTCXXVIZ-CYBMUJFWSA-N 1 2 232.371 3.743 20 0 BHADLO CC1(C)CC[C@H]([NH2+]c2ccc3c(c2)CCO3)C1 ZINC000129411789 591292946 /nfs/dbraw/zinc/29/29/46/591292946.db2.gz ISNYOPQQRDOKTL-ZDUSSCGKSA-N 1 2 231.339 3.612 20 0 BHADLO CC1(C)CC[C@@H]([NH2+]c2ccc3c(c2)CCO3)C1 ZINC000129412002 591292923 /nfs/dbraw/zinc/29/29/23/591292923.db2.gz ISNYOPQQRDOKTL-CYBMUJFWSA-N 1 2 231.339 3.612 20 0 BHADLO CC(C)=CCn1c[nH+]c2cc(C)c(C)cc21 ZINC000130723295 323011887 /nfs/dbraw/zinc/01/18/87/323011887.db2.gz ZOZUGUSMSFCUDM-UHFFFAOYSA-N 1 2 214.312 3.619 20 0 BHADLO Cc1cc[nH+]cc1NCc1coc2ccccc12 ZINC000130987910 358655557 /nfs/dbraw/zinc/65/55/57/358655557.db2.gz TTWYESSDZRQNJN-UHFFFAOYSA-N 1 2 238.290 3.748 20 0 BHADLO Cc1cc([NH2+]C[C@@H](C)c2ccccc2)ccc1N ZINC000131115079 591554921 /nfs/dbraw/zinc/55/49/21/591554921.db2.gz QIGDBYMGYCQEKV-CYBMUJFWSA-N 1 2 240.350 3.793 20 0 BHADLO Cc1cc([NH2+]C[C@H](C)c2ccccc2)ccc1N ZINC000131115300 591554138 /nfs/dbraw/zinc/55/41/38/591554138.db2.gz QIGDBYMGYCQEKV-ZDUSSCGKSA-N 1 2 240.350 3.793 20 0 BHADLO CCC(C)(C)Nc1cc(C)[nH+]c(C(C)C)n1 ZINC000131239405 168302893 /nfs/dbraw/zinc/30/28/93/168302893.db2.gz UECQOOIIVXAMET-UHFFFAOYSA-N 1 2 221.348 3.509 20 0 BHADLO Cc1occc1SCc1c[nH+]c2ccccn12 ZINC000131567094 358682540 /nfs/dbraw/zinc/68/25/40/358682540.db2.gz AIHXHBAEZDBGLC-UHFFFAOYSA-N 1 2 244.319 3.528 20 0 BHADLO Fc1cc2[nH+]cn(CC3CCCC3)c2cc1F ZINC000131875002 191017477 /nfs/dbraw/zinc/01/74/77/191017477.db2.gz XGJHXGVDKUBQPA-UHFFFAOYSA-N 1 2 236.265 3.505 20 0 BHADLO CC(C)(C)CCn1c[nH+]c2cc(F)c(F)cc21 ZINC000131881439 191017830 /nfs/dbraw/zinc/01/78/30/191017830.db2.gz LBAUYOMYHWFAAH-UHFFFAOYSA-N 1 2 238.281 3.751 20 0 BHADLO Cc1cc2[nH+]cn(CC3CCCC3)c2cc1C ZINC000131894410 398294477 /nfs/dbraw/zinc/29/44/77/398294477.db2.gz QVNOSLPJALJKIC-UHFFFAOYSA-N 1 2 228.339 3.843 20 0 BHADLO C[C@@H](CNc1ccc2ccccc2[nH+]1)C1CC1 ZINC000132825734 371929419 /nfs/dbraw/zinc/92/94/19/371929419.db2.gz CYLJRFLUSAAIES-NSHDSACASA-N 1 2 226.323 3.693 20 0 BHADLO C[C@H](CNc1ccc2ccccc2[nH+]1)C1CC1 ZINC000132825916 371930008 /nfs/dbraw/zinc/93/00/08/371930008.db2.gz CYLJRFLUSAAIES-LLVKDONJSA-N 1 2 226.323 3.693 20 0 BHADLO CC(C)[NH2+]c1ccc(N2CCC(C)CC2)cc1 ZINC000133028426 591757058 /nfs/dbraw/zinc/75/70/58/591757058.db2.gz NJKKKIWDDTVGBQ-UHFFFAOYSA-N 1 2 232.371 3.743 20 0 BHADLO CC(C)Nc1cccc([NH+]2CCCCCC2)c1 ZINC000133065181 344700325 /nfs/dbraw/zinc/70/03/25/344700325.db2.gz UGUAXYVCASCDRZ-UHFFFAOYSA-N 1 2 232.371 3.887 20 0 BHADLO Cc1cc2ccccc2[nH+]c1NCc1ccoc1 ZINC000133188174 325276414 /nfs/dbraw/zinc/27/64/14/325276414.db2.gz WYGWRQROMCQRTH-UHFFFAOYSA-N 1 2 238.290 3.748 20 0 BHADLO C[C@@H]1CC[C@H](Nc2ccc3ccccc3[nH+]2)C1 ZINC000133215719 191039694 /nfs/dbraw/zinc/03/96/94/191039694.db2.gz YRGZFKDORNGHOE-YPMHNXCESA-N 1 2 226.323 3.835 20 0 BHADLO C[C@H]1CC[C@H](Nc2ccc3ccccc3[nH+]2)C1 ZINC000133215911 191039008 /nfs/dbraw/zinc/03/90/08/191039008.db2.gz YRGZFKDORNGHOE-AAEUAGOBSA-N 1 2 226.323 3.835 20 0 BHADLO C[C@@H]1CC[C@@H](Nc2ccc3ccccc3[nH+]2)C1 ZINC000133216099 191039447 /nfs/dbraw/zinc/03/94/47/191039447.db2.gz YRGZFKDORNGHOE-DGCLKSJQSA-N 1 2 226.323 3.835 20 0 BHADLO C[C@H]1CC[C@@H](Nc2ccc3ccccc3[nH+]2)C1 ZINC000133216322 191038611 /nfs/dbraw/zinc/03/86/11/191038611.db2.gz YRGZFKDORNGHOE-WCQYABFASA-N 1 2 226.323 3.835 20 0 BHADLO Cc1cc2ccccc2[nH+]c1NC1CC=CC1 ZINC000133216374 178298972 /nfs/dbraw/zinc/29/89/72/178298972.db2.gz KSJZLKKBGHIJJG-UHFFFAOYSA-N 1 2 224.307 3.674 20 0 BHADLO C[C@@H]1CC[C@H](Nc2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000133270382 176234796 /nfs/dbraw/zinc/23/47/96/176234796.db2.gz SVKMNIYVTQVJHG-SCZZXKLOSA-N 1 2 244.260 3.701 20 0 BHADLO C[C@H]1CC[C@H](Nc2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000133270578 177205562 /nfs/dbraw/zinc/20/55/62/177205562.db2.gz SVKMNIYVTQVJHG-WPRPVWTQSA-N 1 2 244.260 3.701 20 0 BHADLO C[C@@H]1CC[C@@H](Nc2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000133270771 176213979 /nfs/dbraw/zinc/21/39/79/176213979.db2.gz SVKMNIYVTQVJHG-PSASIEDQSA-N 1 2 244.260 3.701 20 0 BHADLO C[C@H]1CC[C@@H](Nc2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000133270992 177193942 /nfs/dbraw/zinc/19/39/42/177193942.db2.gz SVKMNIYVTQVJHG-WCBMZHEXSA-N 1 2 244.260 3.701 20 0 BHADLO Cc1cc(N[C@@H]2CC[C@H](C)C2)nc(C(C)C)[nH+]1 ZINC000133313381 178183471 /nfs/dbraw/zinc/18/34/71/178183471.db2.gz RFLRUPODGBCXGS-CMPLNLGQSA-N 1 2 233.359 3.509 20 0 BHADLO Cc1cc(N[C@H]2CC[C@H](C)C2)nc(C(C)C)[nH+]1 ZINC000133313563 178190513 /nfs/dbraw/zinc/19/05/13/178190513.db2.gz RFLRUPODGBCXGS-JQWIXIFHSA-N 1 2 233.359 3.509 20 0 BHADLO Cc1cc(N[C@@H]2CC[C@@H](C)C2)nc(C(C)C)[nH+]1 ZINC000133313786 178182856 /nfs/dbraw/zinc/18/28/56/178182856.db2.gz RFLRUPODGBCXGS-ZYHUDNBSSA-N 1 2 233.359 3.509 20 0 BHADLO Cc1cc(N[C@H]2CC[C@@H](C)C2)nc(C(C)C)[nH+]1 ZINC000133313994 178191087 /nfs/dbraw/zinc/19/10/87/178191087.db2.gz RFLRUPODGBCXGS-PWSUYJOCSA-N 1 2 233.359 3.509 20 0 BHADLO Cc1[nH+]c2ccccn2c1CSCC(C)C ZINC000133356918 358751426 /nfs/dbraw/zinc/75/14/26/358751426.db2.gz WYXGAXOPFJMMEX-UHFFFAOYSA-N 1 2 234.368 3.532 20 0 BHADLO CC[C@@H](C)CNc1cccc(-c2[nH+]ccn2C)c1 ZINC000133593446 325302981 /nfs/dbraw/zinc/30/29/81/325302981.db2.gz IEMQCCVGUFDQAD-GFCCVEGCSA-N 1 2 243.354 3.545 20 0 BHADLO CC[C@H](C)CNc1cccc(-c2[nH+]ccn2C)c1 ZINC000133593590 325302944 /nfs/dbraw/zinc/30/29/44/325302944.db2.gz IEMQCCVGUFDQAD-LBPRGKRZSA-N 1 2 243.354 3.545 20 0 BHADLO CCOc1ccc([NH2+][C@@H](C)C(C)(C)C)cc1 ZINC000134022578 591874476 /nfs/dbraw/zinc/87/44/76/591874476.db2.gz OLVKVUCBBRYPND-NSHDSACASA-N 1 2 221.344 3.932 20 0 BHADLO CCOc1ccc([NH2+][C@H](C)C(C)(C)C)cc1 ZINC000134022786 591874820 /nfs/dbraw/zinc/87/48/20/591874820.db2.gz OLVKVUCBBRYPND-LLVKDONJSA-N 1 2 221.344 3.932 20 0 BHADLO CCC[C@@H](CC)[NH2+]c1ccc(OC)cc1 ZINC000134118600 583667622 /nfs/dbraw/zinc/66/76/22/583667622.db2.gz PWWAPCWRGJPZFD-LLVKDONJSA-N 1 2 207.317 3.686 20 0 BHADLO CCC[C@H](CC)[NH2+]c1ccc(OC)cc1 ZINC000134118817 591888152 /nfs/dbraw/zinc/88/81/52/591888152.db2.gz PWWAPCWRGJPZFD-NSHDSACASA-N 1 2 207.317 3.686 20 0 BHADLO CC(C)=CCC[C@H](C)Nc1cccc[nH+]1 ZINC000134142415 325346036 /nfs/dbraw/zinc/34/60/36/325346036.db2.gz ABNMTQOEVPJQCE-LBPRGKRZSA-N 1 2 204.317 3.628 20 0 BHADLO CC(C)=CCC[C@@H](C)Nc1cccc[nH+]1 ZINC000134142567 325345678 /nfs/dbraw/zinc/34/56/78/325345678.db2.gz ABNMTQOEVPJQCE-GFCCVEGCSA-N 1 2 204.317 3.628 20 0 BHADLO CCC[C@@H](CC)[NH2+]c1ccc2c(c1)CCO2 ZINC000134262512 591907825 /nfs/dbraw/zinc/90/78/25/591907825.db2.gz GZFYBWMESJDRQU-GFCCVEGCSA-N 1 2 219.328 3.612 20 0 BHADLO CCC[C@H](CC)[NH2+]c1ccc2c(c1)CCO2 ZINC000134262533 591908185 /nfs/dbraw/zinc/90/81/85/591908185.db2.gz GZFYBWMESJDRQU-LBPRGKRZSA-N 1 2 219.328 3.612 20 0 BHADLO CC[C@H](Nc1ccc(SC)c[nH+]1)C(C)C ZINC000134308222 364397966 /nfs/dbraw/zinc/39/79/66/364397966.db2.gz GQKWRORBJIWOEL-NSHDSACASA-N 1 2 224.373 3.650 20 0 BHADLO CC[C@@H](Nc1ccc(SC)c[nH+]1)C(C)C ZINC000134308245 364398164 /nfs/dbraw/zinc/39/81/64/364398164.db2.gz GQKWRORBJIWOEL-LLVKDONJSA-N 1 2 224.373 3.650 20 0 BHADLO CC[C@@H]1CCC[C@@H]1Nc1ccc(SC)c[nH+]1 ZINC000134308677 325353555 /nfs/dbraw/zinc/35/35/55/325353555.db2.gz UTLZCGCZAXMNLO-PWSUYJOCSA-N 1 2 236.384 3.794 20 0 BHADLO CC[C@H]1CCC[C@@H]1Nc1ccc(SC)c[nH+]1 ZINC000134308701 325353658 /nfs/dbraw/zinc/35/36/58/325353658.db2.gz UTLZCGCZAXMNLO-JQWIXIFHSA-N 1 2 236.384 3.794 20 0 BHADLO CC[C@@H]1CCC[C@H]1Nc1ccc(SC)c[nH+]1 ZINC000134308727 325353623 /nfs/dbraw/zinc/35/36/23/325353623.db2.gz UTLZCGCZAXMNLO-ZYHUDNBSSA-N 1 2 236.384 3.794 20 0 BHADLO CC[C@H]1CCC[C@H]1Nc1ccc(SC)c[nH+]1 ZINC000134308749 325353810 /nfs/dbraw/zinc/35/38/10/325353810.db2.gz UTLZCGCZAXMNLO-CMPLNLGQSA-N 1 2 236.384 3.794 20 0 BHADLO CSc1ccc(N[C@@H](C)C2CCCC2)[nH+]c1 ZINC000134309269 325353812 /nfs/dbraw/zinc/35/38/12/325353812.db2.gz DAKMUXNZBQUADU-JTQLQIEISA-N 1 2 236.384 3.794 20 0 BHADLO CSc1ccc(N[C@H](C)C2CCCC2)[nH+]c1 ZINC000134309291 325353462 /nfs/dbraw/zinc/35/34/62/325353462.db2.gz DAKMUXNZBQUADU-SNVBAGLBSA-N 1 2 236.384 3.794 20 0 BHADLO CSc1ccc(N[C@@H](C)C(C)(C)C)[nH+]c1 ZINC000134309772 325353524 /nfs/dbraw/zinc/35/35/24/325353524.db2.gz OQRGDTUSNXEQER-VIFPVBQESA-N 1 2 224.373 3.650 20 0 BHADLO CSc1ccc(N[C@H](C)C(C)(C)C)[nH+]c1 ZINC000134309789 325353653 /nfs/dbraw/zinc/35/36/53/325353653.db2.gz OQRGDTUSNXEQER-SECBINFHSA-N 1 2 224.373 3.650 20 0 BHADLO CC[C@@H](C)[C@@H](C)Nc1ccc(SC)c[nH+]1 ZINC000134309899 364398640 /nfs/dbraw/zinc/39/86/40/364398640.db2.gz FVIQFCOXXUAUCQ-NXEZZACHSA-N 1 2 224.373 3.650 20 0 BHADLO CC[C@H](C)[C@@H](C)Nc1ccc(SC)c[nH+]1 ZINC000134309919 364399491 /nfs/dbraw/zinc/39/94/91/364399491.db2.gz FVIQFCOXXUAUCQ-VHSXEESVSA-N 1 2 224.373 3.650 20 0 BHADLO CC[C@@H](C)[C@H](C)Nc1ccc(SC)c[nH+]1 ZINC000134309944 364399616 /nfs/dbraw/zinc/39/96/16/364399616.db2.gz FVIQFCOXXUAUCQ-ZJUUUORDSA-N 1 2 224.373 3.650 20 0 BHADLO CC[C@H](C)[C@H](C)Nc1ccc(SC)c[nH+]1 ZINC000134309962 364399929 /nfs/dbraw/zinc/39/99/29/364399929.db2.gz FVIQFCOXXUAUCQ-UWVGGRQHSA-N 1 2 224.373 3.650 20 0 BHADLO Cc1ccc(N[C@@H](C)CSC(C)(C)C)c[nH+]1 ZINC000134314179 591915766 /nfs/dbraw/zinc/91/57/66/591915766.db2.gz KYSBIRQYKYQWLF-NSHDSACASA-N 1 2 238.400 3.722 20 0 BHADLO Cc1ccc(N[C@H](C)CSC(C)(C)C)c[nH+]1 ZINC000134314199 591915921 /nfs/dbraw/zinc/91/59/21/591915921.db2.gz KYSBIRQYKYQWLF-LLVKDONJSA-N 1 2 238.400 3.722 20 0 BHADLO CC(C)=CCC[C@H](C)Nc1ccc(C)[nH+]c1 ZINC000134314599 325353437 /nfs/dbraw/zinc/35/34/37/325353437.db2.gz MIKKPPQROPCGRC-ZDUSSCGKSA-N 1 2 218.344 3.937 20 0 BHADLO CC(C)=CCC[C@@H](C)Nc1ccc(C)[nH+]c1 ZINC000134314613 325353548 /nfs/dbraw/zinc/35/35/48/325353548.db2.gz MIKKPPQROPCGRC-CYBMUJFWSA-N 1 2 218.344 3.937 20 0 BHADLO Cc1[nH+]cccc1N[C@@H](C)CSC(C)(C)C ZINC000134336741 591919910 /nfs/dbraw/zinc/91/99/10/591919910.db2.gz KTEIUFGYOKPDLJ-JTQLQIEISA-N 1 2 238.400 3.722 20 0 BHADLO Cc1[nH+]cccc1N[C@H](C)CSC(C)(C)C ZINC000134336763 591919323 /nfs/dbraw/zinc/91/93/23/591919323.db2.gz KTEIUFGYOKPDLJ-SNVBAGLBSA-N 1 2 238.400 3.722 20 0 BHADLO CC(C)=CCC[C@H](C)Nc1ccc[nH+]c1C ZINC000134337101 325354535 /nfs/dbraw/zinc/35/45/35/325354535.db2.gz GGDMYBFRZUQPMA-LBPRGKRZSA-N 1 2 218.344 3.937 20 0 BHADLO CC(C)=CCC[C@@H](C)Nc1ccc[nH+]c1C ZINC000134337123 325354311 /nfs/dbraw/zinc/35/43/11/325354311.db2.gz GGDMYBFRZUQPMA-GFCCVEGCSA-N 1 2 218.344 3.937 20 0 BHADLO Cc1c[nH+]cc(N[C@@H](C)CSC(C)(C)C)c1 ZINC000134340459 591919425 /nfs/dbraw/zinc/91/94/25/591919425.db2.gz ZKBHSAUCKKBKPU-NSHDSACASA-N 1 2 238.400 3.722 20 0 BHADLO Cc1c[nH+]cc(N[C@H](C)CSC(C)(C)C)c1 ZINC000134340476 591920038 /nfs/dbraw/zinc/92/00/38/591920038.db2.gz ZKBHSAUCKKBKPU-LLVKDONJSA-N 1 2 238.400 3.722 20 0 BHADLO Cc1c[nH+]cc(N[C@@H](C)CCC(C)C)c1 ZINC000134341553 325354538 /nfs/dbraw/zinc/35/45/38/325354538.db2.gz CKJDEWAZGRLMJZ-LBPRGKRZSA-N 1 2 206.333 3.627 20 0 BHADLO Cc1c[nH+]cc(N[C@H](C)CCC(C)C)c1 ZINC000134341576 325354301 /nfs/dbraw/zinc/35/43/01/325354301.db2.gz CKJDEWAZGRLMJZ-GFCCVEGCSA-N 1 2 206.333 3.627 20 0 BHADLO CC(C)=CCC[C@H](C)Nc1c[nH+]cc(C)c1 ZINC000134341818 323199663 /nfs/dbraw/zinc/19/96/63/323199663.db2.gz FNZORADPSQEBAQ-ZDUSSCGKSA-N 1 2 218.344 3.937 20 0 BHADLO CC(C)=CCC[C@@H](C)Nc1c[nH+]cc(C)c1 ZINC000134341842 325354531 /nfs/dbraw/zinc/35/45/31/325354531.db2.gz FNZORADPSQEBAQ-CYBMUJFWSA-N 1 2 218.344 3.937 20 0 BHADLO CCSCc1cc[nH+]c(N[C@@H](C)C2CC2)c1 ZINC000134359920 325355303 /nfs/dbraw/zinc/35/53/03/325355303.db2.gz PGMXAWKKXIJVOI-JTQLQIEISA-N 1 2 236.384 3.545 20 0 BHADLO CCSCc1cc[nH+]c(N[C@H](C)C2CC2)c1 ZINC000134359943 325355147 /nfs/dbraw/zinc/35/51/47/325355147.db2.gz PGMXAWKKXIJVOI-SNVBAGLBSA-N 1 2 236.384 3.545 20 0 BHADLO CCSCc1cc[nH+]c(N[C@@H](C)C(C)C)c1 ZINC000134360089 358787384 /nfs/dbraw/zinc/78/73/84/358787384.db2.gz CTHNKDQFRXGFHG-NSHDSACASA-N 1 2 238.400 3.791 20 0 BHADLO CCSCc1cc[nH+]c(N[C@H](C)C(C)C)c1 ZINC000134360111 358787776 /nfs/dbraw/zinc/78/77/76/358787776.db2.gz CTHNKDQFRXGFHG-LLVKDONJSA-N 1 2 238.400 3.791 20 0 BHADLO CCC[C@@H](CC)Nc1ccc([NH+](C)C)cc1 ZINC000134487453 591931300 /nfs/dbraw/zinc/93/13/00/591931300.db2.gz TZBHYJXELSIEBP-GFCCVEGCSA-N 1 2 220.360 3.743 20 0 BHADLO CCC[C@@H](CC)[NH2+]c1ccc(N(C)C)cc1 ZINC000134487453 591931298 /nfs/dbraw/zinc/93/12/98/591931298.db2.gz TZBHYJXELSIEBP-GFCCVEGCSA-N 1 2 220.360 3.743 20 0 BHADLO CCC[C@H](CC)Nc1ccc([NH+](C)C)cc1 ZINC000134487474 591931462 /nfs/dbraw/zinc/93/14/62/591931462.db2.gz TZBHYJXELSIEBP-LBPRGKRZSA-N 1 2 220.360 3.743 20 0 BHADLO CCC[C@H](CC)[NH2+]c1ccc(N(C)C)cc1 ZINC000134487474 591931459 /nfs/dbraw/zinc/93/14/59/591931459.db2.gz TZBHYJXELSIEBP-LBPRGKRZSA-N 1 2 220.360 3.743 20 0 BHADLO C[C@H](Nc1ccc([NH+](C)C)cc1)C(C)(C)C ZINC000134487504 591932047 /nfs/dbraw/zinc/93/20/47/591932047.db2.gz IBDUOXBRPHRMSG-NSHDSACASA-N 1 2 220.360 3.599 20 0 BHADLO C[C@H]([NH2+]c1ccc(N(C)C)cc1)C(C)(C)C ZINC000134487504 591932046 /nfs/dbraw/zinc/93/20/46/591932046.db2.gz IBDUOXBRPHRMSG-NSHDSACASA-N 1 2 220.360 3.599 20 0 BHADLO C[C@@H](Nc1ccc([NH+](C)C)cc1)C(C)(C)C ZINC000134487519 591931781 /nfs/dbraw/zinc/93/17/81/591931781.db2.gz IBDUOXBRPHRMSG-LLVKDONJSA-N 1 2 220.360 3.599 20 0 BHADLO C[C@@H]([NH2+]c1ccc(N(C)C)cc1)C(C)(C)C ZINC000134487519 591931779 /nfs/dbraw/zinc/93/17/79/591931779.db2.gz IBDUOXBRPHRMSG-LLVKDONJSA-N 1 2 220.360 3.599 20 0 BHADLO Cc1cc(N[C@@H](C)C(C)C)ccc1[NH+](C)C ZINC000134493233 591931760 /nfs/dbraw/zinc/93/17/60/591931760.db2.gz XOWGGLXAHKXMDW-LBPRGKRZSA-N 1 2 220.360 3.517 20 0 BHADLO Cc1cc(N[C@H](C)C(C)C)ccc1[NH+](C)C ZINC000134493254 591931231 /nfs/dbraw/zinc/93/12/31/591931231.db2.gz XOWGGLXAHKXMDW-GFCCVEGCSA-N 1 2 220.360 3.517 20 0 BHADLO CC[C@@H](C)C[NH2+][C@@H](CC(C)(C)C)C(F)(F)F ZINC000134534853 325364269 /nfs/dbraw/zinc/36/42/69/325364269.db2.gz MPDHCETZWCZOGR-ZJUUUORDSA-N 1 2 239.325 3.989 20 0 BHADLO CC[C@H](C)C[NH2+][C@@H](CC(C)(C)C)C(F)(F)F ZINC000134534874 325364116 /nfs/dbraw/zinc/36/41/16/325364116.db2.gz MPDHCETZWCZOGR-UWVGGRQHSA-N 1 2 239.325 3.989 20 0 BHADLO CC[C@@H](C)C[NH2+][C@H](CC(C)(C)C)C(F)(F)F ZINC000134534897 325364003 /nfs/dbraw/zinc/36/40/03/325364003.db2.gz MPDHCETZWCZOGR-NXEZZACHSA-N 1 2 239.325 3.989 20 0 BHADLO CC[C@H](C)C[NH2+][C@H](CC(C)(C)C)C(F)(F)F ZINC000134534914 325364174 /nfs/dbraw/zinc/36/41/74/325364174.db2.gz MPDHCETZWCZOGR-VHSXEESVSA-N 1 2 239.325 3.989 20 0 BHADLO CC(C)[C@@H](C)[NH2+][C@@H](CC(C)(C)C)C(F)(F)F ZINC000134616733 325367817 /nfs/dbraw/zinc/36/78/17/325367817.db2.gz CWKZXBNEWKAECR-ZJUUUORDSA-N 1 2 239.325 3.988 20 0 BHADLO CC(C)[C@H](C)[NH2+][C@@H](CC(C)(C)C)C(F)(F)F ZINC000134616753 325367870 /nfs/dbraw/zinc/36/78/70/325367870.db2.gz CWKZXBNEWKAECR-UWVGGRQHSA-N 1 2 239.325 3.988 20 0 BHADLO CC(C)[C@@H](C)[NH2+][C@H](CC(C)(C)C)C(F)(F)F ZINC000134616770 325367718 /nfs/dbraw/zinc/36/77/18/325367718.db2.gz CWKZXBNEWKAECR-NXEZZACHSA-N 1 2 239.325 3.988 20 0 BHADLO CC(C)[C@H](C)[NH2+][C@H](CC(C)(C)C)C(F)(F)F ZINC000134616790 325366118 /nfs/dbraw/zinc/36/61/18/325366118.db2.gz CWKZXBNEWKAECR-VHSXEESVSA-N 1 2 239.325 3.988 20 0 BHADLO C[C@H]([NH2+][C@@H](CC(C)(C)C)C(F)(F)F)C1CC1 ZINC000134616821 325367700 /nfs/dbraw/zinc/36/77/00/325367700.db2.gz ULFFZBIOIPCIMT-WPRPVWTQSA-N 1 2 237.309 3.742 20 0 BHADLO C[C@@H]([NH2+][C@@H](CC(C)(C)C)C(F)(F)F)C1CC1 ZINC000134616843 325367872 /nfs/dbraw/zinc/36/78/72/325367872.db2.gz ULFFZBIOIPCIMT-SCZZXKLOSA-N 1 2 237.309 3.742 20 0 BHADLO C[C@H]([NH2+][C@H](CC(C)(C)C)C(F)(F)F)C1CC1 ZINC000134616859 325368232 /nfs/dbraw/zinc/36/82/32/325368232.db2.gz ULFFZBIOIPCIMT-WCBMZHEXSA-N 1 2 237.309 3.742 20 0 BHADLO C[C@@H]([NH2+][C@H](CC(C)(C)C)C(F)(F)F)C1CC1 ZINC000134616883 325368344 /nfs/dbraw/zinc/36/83/44/325368344.db2.gz ULFFZBIOIPCIMT-PSASIEDQSA-N 1 2 237.309 3.742 20 0 BHADLO CSCCCCNc1ccc2ccccc2[nH+]1 ZINC000134827725 386460774 /nfs/dbraw/zinc/46/07/74/386460774.db2.gz RLRRUIFHQCUOPG-UHFFFAOYSA-N 1 2 246.379 3.790 20 0 BHADLO Cc1cc(NCCCC2CC2)nc(C(C)C)[nH+]1 ZINC000134829393 325378278 /nfs/dbraw/zinc/37/82/78/325378278.db2.gz MMWBCNTZWJEIEG-UHFFFAOYSA-N 1 2 233.359 3.511 20 0 BHADLO c1ccc2[nH+]c(NCCCC3CC3)ccc2c1 ZINC000134829686 342894694 /nfs/dbraw/zinc/89/46/94/342894694.db2.gz ASYFQAZJKULOGC-UHFFFAOYSA-N 1 2 226.323 3.837 20 0 BHADLO CSCC[C@H](C)Nc1ccc2ccccc2[nH+]1 ZINC000134833701 591952691 /nfs/dbraw/zinc/95/26/91/591952691.db2.gz NMEQAQCBNIPAHR-NSHDSACASA-N 1 2 246.379 3.788 20 0 BHADLO CSCC[C@@H](C)Nc1ccc2ccccc2[nH+]1 ZINC000134833721 591952875 /nfs/dbraw/zinc/95/28/75/591952875.db2.gz NMEQAQCBNIPAHR-LLVKDONJSA-N 1 2 246.379 3.788 20 0 BHADLO CSC(C)(C)CNc1ccc2ccccc2[nH+]1 ZINC000135362346 386511115 /nfs/dbraw/zinc/51/11/15/386511115.db2.gz XIRUYGYIQCFGDT-UHFFFAOYSA-N 1 2 246.379 3.788 20 0 BHADLO Cc1ccc(NCc2cncc3ccccc32)c[nH+]1 ZINC000135381603 592010866 /nfs/dbraw/zinc/01/08/66/592010866.db2.gz YKZRWUVXZKTFOZ-UHFFFAOYSA-N 1 2 249.317 3.550 20 0 BHADLO CC(C)[N@@H+](CC(F)F)C[C@@H](C)c1ccccc1 ZINC000135404232 388494100 /nfs/dbraw/zinc/49/41/00/388494100.db2.gz UIEWPVYFPKVOJL-GFCCVEGCSA-N 1 2 241.325 3.766 20 0 BHADLO CC(C)[N@H+](CC(F)F)C[C@@H](C)c1ccccc1 ZINC000135404232 388494098 /nfs/dbraw/zinc/49/40/98/388494098.db2.gz UIEWPVYFPKVOJL-GFCCVEGCSA-N 1 2 241.325 3.766 20 0 BHADLO CC(C)[N@@H+](CC(F)F)C[C@H](C)c1ccccc1 ZINC000135404255 388494010 /nfs/dbraw/zinc/49/40/10/388494010.db2.gz UIEWPVYFPKVOJL-LBPRGKRZSA-N 1 2 241.325 3.766 20 0 BHADLO CC(C)[N@H+](CC(F)F)C[C@H](C)c1ccccc1 ZINC000135404255 388494008 /nfs/dbraw/zinc/49/40/08/388494008.db2.gz UIEWPVYFPKVOJL-LBPRGKRZSA-N 1 2 241.325 3.766 20 0 BHADLO CC(C)[N@@H+](C/C=C/c1ccccc1)CC(F)F ZINC000135415360 388494506 /nfs/dbraw/zinc/49/45/06/388494506.db2.gz PYSRBPHHXBHDPT-RMKNXTFCSA-N 1 2 239.309 3.675 20 0 BHADLO CC(C)[N@H+](C/C=C/c1ccccc1)CC(F)F ZINC000135415360 388494504 /nfs/dbraw/zinc/49/45/04/388494504.db2.gz PYSRBPHHXBHDPT-RMKNXTFCSA-N 1 2 239.309 3.675 20 0 BHADLO c1ccc2[nH+]c(N[C@@H]3CCCSC3)ccc2c1 ZINC000135657715 386535946 /nfs/dbraw/zinc/53/59/46/386535946.db2.gz ZTOPEGMXMCVQSE-GFCCVEGCSA-N 1 2 244.363 3.542 20 0 BHADLO c1ccc2[nH+]c(N[C@H]3CCCSC3)ccc2c1 ZINC000135657752 386535389 /nfs/dbraw/zinc/53/53/89/386535389.db2.gz ZTOPEGMXMCVQSE-LBPRGKRZSA-N 1 2 244.363 3.542 20 0 BHADLO Cc1[nH+]cccc1NCc1cncc2ccccc21 ZINC000135784244 592054757 /nfs/dbraw/zinc/05/47/57/592054757.db2.gz DLJUILPVJFEQEO-UHFFFAOYSA-N 1 2 249.317 3.550 20 0 BHADLO Cc1cc[nH+]cc1NCc1cncc2ccccc21 ZINC000135784334 592054734 /nfs/dbraw/zinc/05/47/34/592054734.db2.gz IQMIHMZWMDFMJG-UHFFFAOYSA-N 1 2 249.317 3.550 20 0 BHADLO C[C@@H](CNc1cc(C(F)(F)F)cc[nH+]1)C1CC1 ZINC000135814095 538117134 /nfs/dbraw/zinc/11/71/34/538117134.db2.gz ZMCCKHZYQYHSMH-QMMMGPOBSA-N 1 2 244.260 3.558 20 0 BHADLO C[C@H](CNc1cc(C(F)(F)F)cc[nH+]1)C1CC1 ZINC000135814136 538117124 /nfs/dbraw/zinc/11/71/24/538117124.db2.gz ZMCCKHZYQYHSMH-MRVPVSSYSA-N 1 2 244.260 3.558 20 0 BHADLO FC(F)(F)c1cc[nH+]c(NCCCC2CC2)c1 ZINC000135816739 388509347 /nfs/dbraw/zinc/50/93/47/388509347.db2.gz AGWUYQFRTQAMSJ-UHFFFAOYSA-N 1 2 244.260 3.703 20 0 BHADLO C[C@H]([NH2+]CC(F)F)c1ccc2ccccc2c1 ZINC000136568873 491061068 /nfs/dbraw/zinc/06/10/68/491061068.db2.gz STSLHHVSJZPKOI-JTQLQIEISA-N 1 2 235.277 3.756 20 0 BHADLO C[C@@H]([NH2+]CC(F)F)c1ccc2ccccc2c1 ZINC000136568914 491061072 /nfs/dbraw/zinc/06/10/72/491061072.db2.gz STSLHHVSJZPKOI-SNVBAGLBSA-N 1 2 235.277 3.756 20 0 BHADLO Cc1c2ccccc2oc1[C@@H](C)[NH2+]CC(F)F ZINC000136569296 491061070 /nfs/dbraw/zinc/06/10/70/491061070.db2.gz MFLJUGIBRIYEFT-SECBINFHSA-N 1 2 239.265 3.657 20 0 BHADLO Cc1c2ccccc2oc1[C@H](C)[NH2+]CC(F)F ZINC000136569335 491061066 /nfs/dbraw/zinc/06/10/66/491061066.db2.gz MFLJUGIBRIYEFT-VIFPVBQESA-N 1 2 239.265 3.657 20 0 BHADLO CC(C)Cc1ccc([C@@H](C)[NH2+]CC(F)F)cc1 ZINC000136573421 491061194 /nfs/dbraw/zinc/06/11/94/491061194.db2.gz VVZABSLKCGDNLT-LLVKDONJSA-N 1 2 241.325 3.801 20 0 BHADLO CC(C)Cc1ccc([C@H](C)[NH2+]CC(F)F)cc1 ZINC000136573457 491061212 /nfs/dbraw/zinc/06/12/12/491061212.db2.gz VVZABSLKCGDNLT-NSHDSACASA-N 1 2 241.325 3.801 20 0 BHADLO C[C@H]([NH2+]CC(F)F)c1cccc2ccccc21 ZINC000136578651 491061225 /nfs/dbraw/zinc/06/12/25/491061225.db2.gz TZUZAHASXVAMFK-JTQLQIEISA-N 1 2 235.277 3.756 20 0 BHADLO C[C@@H]([NH2+]CC(F)F)c1cccc2ccccc21 ZINC000136578689 491061215 /nfs/dbraw/zinc/06/12/15/491061215.db2.gz TZUZAHASXVAMFK-SNVBAGLBSA-N 1 2 235.277 3.756 20 0 BHADLO C[C@H](Nc1ccc2ccccc2c1)c1[nH]cc[nH+]1 ZINC000139924115 582497467 /nfs/dbraw/zinc/49/74/67/582497467.db2.gz FREDSGQGLSRJHQ-NSHDSACASA-N 1 2 237.306 3.736 20 0 BHADLO C[C@@H](Nc1ccc2ccccc2c1)c1[nH]cc[nH+]1 ZINC000139924250 582497455 /nfs/dbraw/zinc/49/74/55/582497455.db2.gz FREDSGQGLSRJHQ-LLVKDONJSA-N 1 2 237.306 3.736 20 0 BHADLO C=CCC[NH2+]c1ccc(OCC(F)(F)F)cc1 ZINC000143722657 583924715 /nfs/dbraw/zinc/92/47/15/583924715.db2.gz USFWWLVSLZRYOV-UHFFFAOYSA-N 1 2 245.244 3.616 20 0 BHADLO Cc1cc2ccccc2[nH+]c1N1CCC(C)CC1 ZINC000144414350 345920860 /nfs/dbraw/zinc/92/08/60/345920860.db2.gz SXMQGKYTOWNZHY-UHFFFAOYSA-N 1 2 240.350 3.780 20 0 BHADLO c1cn(Cc2ccc(C3CCCC3)cc2)c[nH+]1 ZINC000146230660 490660851 /nfs/dbraw/zinc/66/08/51/490660851.db2.gz HDTJYWDBGWMROF-UHFFFAOYSA-N 1 2 226.323 3.589 20 0 BHADLO c1c[nH+]c(-c2ccccc2OC2CCCCC2)[nH]1 ZINC000146926606 487927899 /nfs/dbraw/zinc/92/78/99/487927899.db2.gz UGBVQIJKYBAISK-UHFFFAOYSA-N 1 2 242.322 3.788 20 0 BHADLO CC[C@H]([NH2+]CC(F)F)c1cccc(Cl)c1 ZINC000147349023 538117786 /nfs/dbraw/zinc/11/77/86/538117786.db2.gz QSRUYNQHZMYDDC-JTQLQIEISA-N 1 2 233.689 3.646 20 0 BHADLO CC[C@@H]([NH2+]CC(F)F)c1cccc(Cl)c1 ZINC000147349266 538117779 /nfs/dbraw/zinc/11/77/79/538117779.db2.gz QSRUYNQHZMYDDC-SNVBAGLBSA-N 1 2 233.689 3.646 20 0 BHADLO CC(C)C[C@H]([NH2+]CC(F)F)c1ccccc1 ZINC000147400929 537849393 /nfs/dbraw/zinc/84/93/93/537849393.db2.gz NHMUXWCZIDIQBO-LBPRGKRZSA-N 1 2 227.298 3.629 20 0 BHADLO CC(C)C[C@@H]([NH2+]CC(F)F)c1ccccc1 ZINC000147401124 537849368 /nfs/dbraw/zinc/84/93/68/537849368.db2.gz NHMUXWCZIDIQBO-GFCCVEGCSA-N 1 2 227.298 3.629 20 0 BHADLO Cc1cc2ccccc2[nH+]c1N1CCCCC1 ZINC000148174001 383935964 /nfs/dbraw/zinc/93/59/64/383935964.db2.gz SUFSVPRKNIFGQJ-UHFFFAOYSA-N 1 2 226.323 3.534 20 0 BHADLO COc1ccc([NH2+]CCc2ccc(C)cc2)cc1 ZINC000148594222 584010470 /nfs/dbraw/zinc/01/04/70/584010470.db2.gz DNKWZGDHBDKHEO-UHFFFAOYSA-N 1 2 241.334 3.658 20 0 BHADLO CCc1ccc(CNc2ccc(C)[nH+]c2)s1 ZINC000149806940 385014979 /nfs/dbraw/zinc/01/49/79/385014979.db2.gz IPUYDSXYUSEFHW-UHFFFAOYSA-N 1 2 232.352 3.626 20 0 BHADLO Cc1cc(CNc2ccc(C)[nH+]c2)c(C)s1 ZINC000149809467 385015056 /nfs/dbraw/zinc/01/50/56/385015056.db2.gz INTBGFHILGXVGI-UHFFFAOYSA-N 1 2 232.352 3.680 20 0 BHADLO Cc1ccc(NCc2cc(C)c(C)cc2C)c[nH+]1 ZINC000149811796 134450376 /nfs/dbraw/zinc/45/03/76/134450376.db2.gz YBLBPOOMXNYGBX-UHFFFAOYSA-N 1 2 240.350 3.927 20 0 BHADLO Cc1ccc(CNc2ccc(C)[nH+]c2)c(C)c1 ZINC000149817096 384485566 /nfs/dbraw/zinc/48/55/66/384485566.db2.gz BTASPLJZAZUXKK-UHFFFAOYSA-N 1 2 226.323 3.619 20 0 BHADLO Cc1cc(C)c(CNc2ccc(C)[nH+]c2)c(C)c1 ZINC000149817321 384485711 /nfs/dbraw/zinc/48/57/11/384485711.db2.gz SHEWMEGWCZXZLV-UHFFFAOYSA-N 1 2 240.350 3.927 20 0 BHADLO Cc1ccc(NCc2ccccc2C2CC2)c[nH+]1 ZINC000149820339 583789009 /nfs/dbraw/zinc/78/90/09/583789009.db2.gz WAENPSSLRXMLFT-UHFFFAOYSA-N 1 2 238.334 3.880 20 0 BHADLO Cc1cc[nH+]cc1NCc1ccc(C(F)F)cc1 ZINC000150147289 490413334 /nfs/dbraw/zinc/41/33/34/490413334.db2.gz FCRSQPICBRWSFW-UHFFFAOYSA-N 1 2 248.276 3.940 20 0 BHADLO Cc1[nH+]cccc1NCc1ccc(C(F)F)cc1 ZINC000150179093 398332314 /nfs/dbraw/zinc/33/23/14/398332314.db2.gz IWDBLDBFARWDRB-UHFFFAOYSA-N 1 2 248.276 3.940 20 0 BHADLO Cc1ccc(NCc2ccc(C(F)F)cc2)c[nH+]1 ZINC000150191462 322983162 /nfs/dbraw/zinc/98/31/62/322983162.db2.gz ZUHJTCMSDAFOGU-UHFFFAOYSA-N 1 2 248.276 3.940 20 0 BHADLO CC(C)Sc1ccccc1NCc1[nH]cc[nH+]1 ZINC000151445520 167338325 /nfs/dbraw/zinc/33/83/25/167338325.db2.gz KVGFZIZSNVCFIU-UHFFFAOYSA-N 1 2 247.367 3.522 20 0 BHADLO Cc1cc2ccccc2[nH+]c1N1CCC[C@@H]1C ZINC000151862242 323031147 /nfs/dbraw/zinc/03/11/47/323031147.db2.gz YZWABOYKSFAPGS-LBPRGKRZSA-N 1 2 226.323 3.532 20 0 BHADLO Cc1cc2ccccc2[nH+]c1N1CCC[C@H]1C ZINC000151862406 323031035 /nfs/dbraw/zinc/03/10/35/323031035.db2.gz YZWABOYKSFAPGS-GFCCVEGCSA-N 1 2 226.323 3.532 20 0 BHADLO Cc1ccc(NC(=O)C2=CCCCCC2)c(C)[nH+]1 ZINC000154078162 345011086 /nfs/dbraw/zinc/01/10/86/345011086.db2.gz LJWWAJZNONNLRH-UHFFFAOYSA-N 1 2 244.338 3.527 20 0 BHADLO Cc1ccc(N[C@@H](C)c2ccccc2F)c[nH+]1 ZINC000154230997 345021914 /nfs/dbraw/zinc/02/19/14/345021914.db2.gz VOXLUAUKJVAIOY-NSHDSACASA-N 1 2 230.286 3.702 20 0 BHADLO Cc1ccc(N[C@H](C)c2ccccc2F)c[nH+]1 ZINC000154231118 345021941 /nfs/dbraw/zinc/02/19/41/345021941.db2.gz VOXLUAUKJVAIOY-LLVKDONJSA-N 1 2 230.286 3.702 20 0 BHADLO COc1cccc([C@H](C)Nc2ccc(C)[nH+]c2)c1 ZINC000154231226 175294373 /nfs/dbraw/zinc/29/43/73/175294373.db2.gz RIBMQMJDSHUZNM-LBPRGKRZSA-N 1 2 242.322 3.572 20 0 BHADLO COc1cccc([C@@H](C)Nc2ccc(C)[nH+]c2)c1 ZINC000154231331 175287912 /nfs/dbraw/zinc/28/79/12/175287912.db2.gz RIBMQMJDSHUZNM-GFCCVEGCSA-N 1 2 242.322 3.572 20 0 BHADLO Cc1ccc(N[C@@H](c2ccccc2)C2CC2)c[nH+]1 ZINC000154232842 345021884 /nfs/dbraw/zinc/02/18/84/345021884.db2.gz LNWLNJFIKCYWJS-INIZCTEOSA-N 1 2 238.334 3.953 20 0 BHADLO Cc1ccc(N[C@H](c2ccccc2)C2CC2)c[nH+]1 ZINC000154232953 345021890 /nfs/dbraw/zinc/02/18/90/345021890.db2.gz LNWLNJFIKCYWJS-MRXNPFEDSA-N 1 2 238.334 3.953 20 0 BHADLO CC[C@H](Nc1ccc(C)[nH+]c1)c1ccccc1 ZINC000154233674 345021952 /nfs/dbraw/zinc/02/19/52/345021952.db2.gz BNFMKNKTGADEJP-HNNXBMFYSA-N 1 2 226.323 3.953 20 0 BHADLO CC[C@@H](Nc1ccc(C)[nH+]c1)c1ccccc1 ZINC000154233779 345021894 /nfs/dbraw/zinc/02/18/94/345021894.db2.gz BNFMKNKTGADEJP-OAHLLOKOSA-N 1 2 226.323 3.953 20 0 BHADLO COc1ccccc1[C@H](C)Nc1ccc(C)[nH+]c1 ZINC000154233912 175352343 /nfs/dbraw/zinc/35/23/43/175352343.db2.gz GNZGDXTVIZBXOB-LBPRGKRZSA-N 1 2 242.322 3.572 20 0 BHADLO COc1ccccc1[C@@H](C)Nc1ccc(C)[nH+]c1 ZINC000154234014 175346158 /nfs/dbraw/zinc/34/61/58/175346158.db2.gz GNZGDXTVIZBXOB-GFCCVEGCSA-N 1 2 242.322 3.572 20 0 BHADLO Cc1ccc(N[C@H](C)c2ccccc2C)c[nH+]1 ZINC000154234365 345021882 /nfs/dbraw/zinc/02/18/82/345021882.db2.gz ZVMXNGULOIAEKV-CYBMUJFWSA-N 1 2 226.323 3.872 20 0 BHADLO Cc1ccc(N[C@@H](C)c2ccccc2C)c[nH+]1 ZINC000154234478 345021922 /nfs/dbraw/zinc/02/19/22/345021922.db2.gz ZVMXNGULOIAEKV-ZDUSSCGKSA-N 1 2 226.323 3.872 20 0 BHADLO Cc1ccc(N[C@@H](C)c2ccc(F)cc2F)c[nH+]1 ZINC000154243613 488077693 /nfs/dbraw/zinc/07/76/93/488077693.db2.gz BBAXBLHNXXRXMM-JTQLQIEISA-N 1 2 248.276 3.841 20 0 BHADLO Cc1ccc(N[C@H](C)c2ccc(F)cc2F)c[nH+]1 ZINC000154243724 488077749 /nfs/dbraw/zinc/07/77/49/488077749.db2.gz BBAXBLHNXXRXMM-SNVBAGLBSA-N 1 2 248.276 3.841 20 0 BHADLO Cc1ccc(N[C@@H](C)c2cccc(F)c2)c[nH+]1 ZINC000154244104 488077622 /nfs/dbraw/zinc/07/76/22/488077622.db2.gz VHKZUOQZCFUSLL-NSHDSACASA-N 1 2 230.286 3.702 20 0 BHADLO Cc1ccc(N[C@H](C)c2cccc(F)c2)c[nH+]1 ZINC000154244211 398338622 /nfs/dbraw/zinc/33/86/22/398338622.db2.gz VHKZUOQZCFUSLL-LLVKDONJSA-N 1 2 230.286 3.702 20 0 BHADLO Cc1cccc([C@@H](C)Nc2ccc(C)[nH+]c2)c1 ZINC000154245983 398338599 /nfs/dbraw/zinc/33/85/99/398338599.db2.gz WVUGHCXZRVWEBR-CYBMUJFWSA-N 1 2 226.323 3.872 20 0 BHADLO Cc1cccc([C@H](C)Nc2ccc(C)[nH+]c2)c1 ZINC000154246088 398338620 /nfs/dbraw/zinc/33/86/20/398338620.db2.gz WVUGHCXZRVWEBR-ZDUSSCGKSA-N 1 2 226.323 3.872 20 0 BHADLO Cc1ccc(NCc2cccc3cnccc32)c[nH+]1 ZINC000154246657 537915988 /nfs/dbraw/zinc/91/59/88/537915988.db2.gz JURJPWRABQVMSN-UHFFFAOYSA-N 1 2 249.317 3.550 20 0 BHADLO Cc1ccsc1[C@@H](C)Nc1ccc(C)[nH+]c1 ZINC000154246822 385311038 /nfs/dbraw/zinc/31/10/38/385311038.db2.gz GDJKCIRISDQNLK-LLVKDONJSA-N 1 2 232.352 3.933 20 0 BHADLO Cc1ccsc1[C@H](C)Nc1ccc(C)[nH+]c1 ZINC000154246970 385312653 /nfs/dbraw/zinc/31/26/53/385312653.db2.gz GDJKCIRISDQNLK-NSHDSACASA-N 1 2 232.352 3.933 20 0 BHADLO Cc1ccc(N[C@@H](C)c2ccccc2)c[nH+]1 ZINC000154249202 384597301 /nfs/dbraw/zinc/59/73/01/384597301.db2.gz INSQFSHZPKIMRF-LBPRGKRZSA-N 1 2 212.296 3.563 20 0 BHADLO Cc1ccc(N[C@H](C)c2ccccc2)c[nH+]1 ZINC000154249310 384596541 /nfs/dbraw/zinc/59/65/41/384596541.db2.gz INSQFSHZPKIMRF-GFCCVEGCSA-N 1 2 212.296 3.563 20 0 BHADLO Cc1ccc(N[C@@H](C)c2ccc(F)c(F)c2)c[nH+]1 ZINC000154250319 384597644 /nfs/dbraw/zinc/59/76/44/384597644.db2.gz WUAJZMFUKYWFFQ-JTQLQIEISA-N 1 2 248.276 3.841 20 0 BHADLO Cc1ccc(N[C@H](C)c2ccc(F)c(F)c2)c[nH+]1 ZINC000154250434 384598210 /nfs/dbraw/zinc/59/82/10/384598210.db2.gz WUAJZMFUKYWFFQ-SNVBAGLBSA-N 1 2 248.276 3.841 20 0 BHADLO Cc1ccc(N[C@@H](C)c2cc(F)ccc2F)c[nH+]1 ZINC000154250770 345020635 /nfs/dbraw/zinc/02/06/35/345020635.db2.gz WOOMMGKAUJQLMA-JTQLQIEISA-N 1 2 248.276 3.841 20 0 BHADLO Cc1ccc(N[C@H](C)c2cc(F)ccc2F)c[nH+]1 ZINC000154250881 134665180 /nfs/dbraw/zinc/66/51/80/134665180.db2.gz WOOMMGKAUJQLMA-SNVBAGLBSA-N 1 2 248.276 3.841 20 0 BHADLO Cc1ccc([C@H](C)Nc2ccc(C)[nH+]c2)s1 ZINC000154251195 345025044 /nfs/dbraw/zinc/02/50/44/345025044.db2.gz XEDOROGWHLOZHK-NSHDSACASA-N 1 2 232.352 3.933 20 0 BHADLO Cc1ccc([C@@H](C)Nc2ccc(C)[nH+]c2)s1 ZINC000154251290 345025051 /nfs/dbraw/zinc/02/50/51/345025051.db2.gz XEDOROGWHLOZHK-LLVKDONJSA-N 1 2 232.352 3.933 20 0 BHADLO Cc1ccc(N[C@@H](C)c2ccc(F)cc2)c[nH+]1 ZINC000154257416 345022435 /nfs/dbraw/zinc/02/24/35/345022435.db2.gz AFEVFZYGARZPOZ-NSHDSACASA-N 1 2 230.286 3.702 20 0 BHADLO Cc1ccc(N[C@H](C)c2ccc(F)cc2)c[nH+]1 ZINC000154257535 345022791 /nfs/dbraw/zinc/02/27/91/345022791.db2.gz AFEVFZYGARZPOZ-LLVKDONJSA-N 1 2 230.286 3.702 20 0 BHADLO Cc1ccc(N[C@@H](C)c2cc(F)cc(F)c2)c[nH+]1 ZINC000154259454 345022788 /nfs/dbraw/zinc/02/27/88/345022788.db2.gz LNQCQAWFYIZBRY-JTQLQIEISA-N 1 2 248.276 3.841 20 0 BHADLO Cc1ccc(N[C@H](C)c2cc(F)cc(F)c2)c[nH+]1 ZINC000154259537 345022800 /nfs/dbraw/zinc/02/28/00/345022800.db2.gz LNQCQAWFYIZBRY-SNVBAGLBSA-N 1 2 248.276 3.841 20 0 BHADLO Cc1ccc([C@@H](C)Nc2ccc(C)[nH+]c2)cc1 ZINC000154259859 134666932 /nfs/dbraw/zinc/66/69/32/134666932.db2.gz GBXFLZVOLYJXHX-CYBMUJFWSA-N 1 2 226.323 3.872 20 0 BHADLO Cc1ccc([C@H](C)Nc2ccc(C)[nH+]c2)cc1 ZINC000154259938 345022594 /nfs/dbraw/zinc/02/25/94/345022594.db2.gz GBXFLZVOLYJXHX-ZDUSSCGKSA-N 1 2 226.323 3.872 20 0 BHADLO COc1ccc([C@H](C)Nc2ccc(C)[nH+]c2)cc1 ZINC000154260291 175190311 /nfs/dbraw/zinc/19/03/11/175190311.db2.gz OZIWIOLTDFMMKM-LBPRGKRZSA-N 1 2 242.322 3.572 20 0 BHADLO COc1ccc([C@@H](C)Nc2ccc(C)[nH+]c2)cc1 ZINC000154260389 175177647 /nfs/dbraw/zinc/17/76/47/175177647.db2.gz OZIWIOLTDFMMKM-GFCCVEGCSA-N 1 2 242.322 3.572 20 0 BHADLO Cc1ccc(N[C@@H]2CCCc3sccc32)c[nH+]1 ZINC000154262792 345022561 /nfs/dbraw/zinc/02/25/61/345022561.db2.gz GASOXKMBYWSCCP-CYBMUJFWSA-N 1 2 244.363 3.941 20 0 BHADLO Cc1ccc(N[C@H]2CCCc3sccc32)c[nH+]1 ZINC000154262863 345022720 /nfs/dbraw/zinc/02/27/20/345022720.db2.gz GASOXKMBYWSCCP-ZDUSSCGKSA-N 1 2 244.363 3.941 20 0 BHADLO Cc1ccc(NCc2coc3ccccc23)c[nH+]1 ZINC000154263227 345022840 /nfs/dbraw/zinc/02/28/40/345022840.db2.gz KDZNTWNPPVCJCQ-UHFFFAOYSA-N 1 2 238.290 3.748 20 0 BHADLO Cc1ccc(NC2CC(c3ccccc3)C2)c[nH+]1 ZINC000154265785 201272937 /nfs/dbraw/zinc/27/29/37/201272937.db2.gz ZLBRKHHOPBPFFT-UHFFFAOYSA-N 1 2 238.334 3.748 20 0 BHADLO Cc1cc(F)cc(NCc2[nH+]ccn2C(C)C)c1 ZINC000155076234 178079214 /nfs/dbraw/zinc/07/92/14/178079214.db2.gz JDLJGOABCBREMX-UHFFFAOYSA-N 1 2 247.317 3.524 20 0 BHADLO Cc1ccoc1CNc1ccc([NH+](C)C)cc1C ZINC000155543497 178095276 /nfs/dbraw/zinc/09/52/76/178095276.db2.gz MURNBOUZWDUPPK-UHFFFAOYSA-N 1 2 244.338 3.575 20 0 BHADLO Cc1ccc(NC(=O)C2(C)CCCCC2)c(C)[nH+]1 ZINC000155916770 326214885 /nfs/dbraw/zinc/21/48/85/326214885.db2.gz LNGCJYWXILIJLT-UHFFFAOYSA-N 1 2 246.354 3.607 20 0 BHADLO c1csc(SCc2c[nH+]c3ccccn23)c1 ZINC000155938587 326215351 /nfs/dbraw/zinc/21/53/51/326215351.db2.gz ULMWJTHXUOWTBP-UHFFFAOYSA-N 1 2 246.360 3.688 20 0 BHADLO CC[C@H](SCc1[nH+]ccn1C)c1ccccc1 ZINC000156460721 326233506 /nfs/dbraw/zinc/23/35/06/326233506.db2.gz VBFIHHIXKUUSNN-ZDUSSCGKSA-N 1 2 246.379 3.805 20 0 BHADLO CC[C@@H](SCc1[nH+]ccn1C)c1ccccc1 ZINC000156460832 326233247 /nfs/dbraw/zinc/23/32/47/326233247.db2.gz VBFIHHIXKUUSNN-CYBMUJFWSA-N 1 2 246.379 3.805 20 0 BHADLO CC1(C)CCc2ccccc2[C@@H]1[NH2+]CC(F)F ZINC000156762210 538795222 /nfs/dbraw/zinc/79/52/22/538795222.db2.gz RHJYWKLXVYXLOK-ZDUSSCGKSA-N 1 2 239.309 3.555 20 0 BHADLO CC1(C)CCc2ccccc2[C@H]1[NH2+]CC(F)F ZINC000156762321 538795692 /nfs/dbraw/zinc/79/56/92/538795692.db2.gz RHJYWKLXVYXLOK-CYBMUJFWSA-N 1 2 239.309 3.555 20 0 BHADLO C[N@@H+](CC(F)F)[C@@H]1CCc2c1cccc2Cl ZINC000156769428 326241782 /nfs/dbraw/zinc/24/17/82/326241782.db2.gz AXBQMMDHLXOKOH-LLVKDONJSA-N 1 2 245.700 3.524 20 0 BHADLO C[N@H+](CC(F)F)[C@@H]1CCc2c1cccc2Cl ZINC000156769428 326241779 /nfs/dbraw/zinc/24/17/79/326241779.db2.gz AXBQMMDHLXOKOH-LLVKDONJSA-N 1 2 245.700 3.524 20 0 BHADLO C[N@@H+](CC(F)F)[C@H]1CCc2c1cccc2Cl ZINC000156769590 326241800 /nfs/dbraw/zinc/24/18/00/326241800.db2.gz AXBQMMDHLXOKOH-NSHDSACASA-N 1 2 245.700 3.524 20 0 BHADLO C[N@H+](CC(F)F)[C@H]1CCc2c1cccc2Cl ZINC000156769590 326241798 /nfs/dbraw/zinc/24/17/98/326241798.db2.gz AXBQMMDHLXOKOH-NSHDSACASA-N 1 2 245.700 3.524 20 0 BHADLO Cc1ccc2oc(CNc3cccc[nH+]3)cc2c1 ZINC000157424292 541488658 /nfs/dbraw/zinc/48/86/58/541488658.db2.gz HUBIVTDAKSOEIX-UHFFFAOYSA-N 1 2 238.290 3.748 20 0 BHADLO CC(C)CCn1cccc1CNc1cccc[nH+]1 ZINC000157428949 326274190 /nfs/dbraw/zinc/27/41/90/326274190.db2.gz GAFGQNYAPDVVRR-UHFFFAOYSA-N 1 2 243.354 3.541 20 0 BHADLO Cc1[nH+]cccc1N[C@@H](C)Cc1ccccc1F ZINC000157718225 193020178 /nfs/dbraw/zinc/02/01/78/193020178.db2.gz NBURNPIJNYZLIX-NSHDSACASA-N 1 2 244.313 3.572 20 0 BHADLO Cc1[nH+]cccc1N[C@H](C)Cc1ccccc1F ZINC000157718360 191116589 /nfs/dbraw/zinc/11/65/89/191116589.db2.gz NBURNPIJNYZLIX-LLVKDONJSA-N 1 2 244.313 3.572 20 0 BHADLO Cc1ccc(N[C@@H](C)Cc2ccccc2F)c[nH+]1 ZINC000157872218 323034118 /nfs/dbraw/zinc/03/41/18/323034118.db2.gz VYKMVVAIKQVSBW-LBPRGKRZSA-N 1 2 244.313 3.572 20 0 BHADLO Cc1ccc(N[C@H](C)Cc2ccccc2F)c[nH+]1 ZINC000157872343 323034098 /nfs/dbraw/zinc/03/40/98/323034098.db2.gz VYKMVVAIKQVSBW-GFCCVEGCSA-N 1 2 244.313 3.572 20 0 BHADLO Cc1ccc2c(c1)[C@H](Nc1ccc(C)[nH+]c1)CC2 ZINC000162089791 349561248 /nfs/dbraw/zinc/56/12/48/349561248.db2.gz AAOJKRKDWTYKPN-MRXNPFEDSA-N 1 2 238.334 3.798 20 0 BHADLO Cc1ccc2c(c1)[C@@H](Nc1ccc(C)[nH+]c1)CC2 ZINC000162089919 349561405 /nfs/dbraw/zinc/56/14/05/349561405.db2.gz AAOJKRKDWTYKPN-INIZCTEOSA-N 1 2 238.334 3.798 20 0 BHADLO Cc1occc1SCc1cn2ccccc2[nH+]1 ZINC000162884982 350453026 /nfs/dbraw/zinc/45/30/26/350453026.db2.gz PTFJMFDVNYOAGV-UHFFFAOYSA-N 1 2 244.319 3.528 20 0 BHADLO COc1cc(C)ccc1[NH2+][C@@H](C)CC1CC1 ZINC000163052387 202159618 /nfs/dbraw/zinc/15/96/18/202159618.db2.gz RPSGTTTZEBHYRE-NSHDSACASA-N 1 2 219.328 3.604 20 0 BHADLO COc1cc(C)ccc1[NH2+][C@H](C)CC1CC1 ZINC000163052494 202160673 /nfs/dbraw/zinc/16/06/73/202160673.db2.gz RPSGTTTZEBHYRE-LLVKDONJSA-N 1 2 219.328 3.604 20 0 BHADLO Cc1[nH+]cccc1N[C@@H](C)CCCC(F)(F)F ZINC000163454752 388294190 /nfs/dbraw/zinc/29/41/90/388294190.db2.gz ZPHDQBZNCVUKGM-VIFPVBQESA-N 1 2 246.276 3.923 20 0 BHADLO Cc1[nH+]cccc1N[C@H](C)CCCC(F)(F)F ZINC000163454862 388294183 /nfs/dbraw/zinc/29/41/83/388294183.db2.gz ZPHDQBZNCVUKGM-SECBINFHSA-N 1 2 246.276 3.923 20 0 BHADLO Cc1ccc(N[C@@H](C)CCCC(F)(F)F)c[nH+]1 ZINC000163473156 388299438 /nfs/dbraw/zinc/29/94/38/388299438.db2.gz DDVJVPFOYUQPPB-JTQLQIEISA-N 1 2 246.276 3.923 20 0 BHADLO Cc1ccc(N[C@H](C)CCCC(F)(F)F)c[nH+]1 ZINC000163473230 202487059 /nfs/dbraw/zinc/48/70/59/202487059.db2.gz DDVJVPFOYUQPPB-SNVBAGLBSA-N 1 2 246.276 3.923 20 0 BHADLO C[C@H]([NH2+]CC(F)F)c1cc2ccccc2s1 ZINC000163658980 538113127 /nfs/dbraw/zinc/11/31/27/538113127.db2.gz INLOGSPBGLSLDJ-QMMMGPOBSA-N 1 2 241.306 3.817 20 0 BHADLO C[C@@H]([NH2+]CC(F)F)c1cc2ccccc2s1 ZINC000163659076 538930264 /nfs/dbraw/zinc/93/02/64/538930264.db2.gz INLOGSPBGLSLDJ-MRVPVSSYSA-N 1 2 241.306 3.817 20 0 BHADLO CC[C@@H](CSC)Nc1ccc2ccccc2[nH+]1 ZINC000163814660 135207623 /nfs/dbraw/zinc/20/76/23/135207623.db2.gz ZDNNWWDHOSDDOA-LBPRGKRZSA-N 1 2 246.379 3.788 20 0 BHADLO CC[C@H](CSC)Nc1ccc2ccccc2[nH+]1 ZINC000163814768 536126488 /nfs/dbraw/zinc/12/64/88/536126488.db2.gz ZDNNWWDHOSDDOA-GFCCVEGCSA-N 1 2 246.379 3.788 20 0 BHADLO Cc1cc2[nH+]cn(C3CCCC3)c2cc1C ZINC000163948280 388107472 /nfs/dbraw/zinc/10/74/72/388107472.db2.gz ULBLTHWQLRMNJA-UHFFFAOYSA-N 1 2 214.312 3.768 20 0 BHADLO Cc1ccc(N[C@@H](C)c2ccsc2)c[nH+]1 ZINC000164619184 487843932 /nfs/dbraw/zinc/84/39/32/487843932.db2.gz FVHAFMOGLXGDDT-JTQLQIEISA-N 1 2 218.325 3.625 20 0 BHADLO Cc1ccc(N[C@H](C)c2ccsc2)c[nH+]1 ZINC000164619304 487843950 /nfs/dbraw/zinc/84/39/50/487843950.db2.gz FVHAFMOGLXGDDT-SNVBAGLBSA-N 1 2 218.325 3.625 20 0 BHADLO Cc1nc([C@H](C)Nc2ccc(C)[nH+]c2)c(C)s1 ZINC000164665117 538934101 /nfs/dbraw/zinc/93/41/01/538934101.db2.gz BSLIJBAYZBEVRF-VIFPVBQESA-N 1 2 247.367 3.636 20 0 BHADLO Cc1nc([C@@H](C)Nc2ccc(C)[nH+]c2)c(C)s1 ZINC000164665227 538934120 /nfs/dbraw/zinc/93/41/20/538934120.db2.gz BSLIJBAYZBEVRF-SECBINFHSA-N 1 2 247.367 3.636 20 0 BHADLO Cc1cc([C@H](C)Nc2ccc(C)[nH+]c2)c(C)o1 ZINC000164666256 385027170 /nfs/dbraw/zinc/02/71/70/385027170.db2.gz QDQHVKKPEAMZIY-NSHDSACASA-N 1 2 230.311 3.773 20 0 BHADLO Cc1cc([C@@H](C)Nc2ccc(C)[nH+]c2)c(C)o1 ZINC000164666367 385027966 /nfs/dbraw/zinc/02/79/66/385027966.db2.gz QDQHVKKPEAMZIY-LLVKDONJSA-N 1 2 230.311 3.773 20 0 BHADLO Cc1ccc(NCC[C@@H](C)c2ccccc2)c[nH+]1 ZINC000164682497 203289573 /nfs/dbraw/zinc/28/95/73/203289573.db2.gz UHBOCABMQIHUGK-CYBMUJFWSA-N 1 2 240.350 3.996 20 0 BHADLO Cc1ccc(NCC[C@H](C)c2ccccc2)c[nH+]1 ZINC000164682609 203289280 /nfs/dbraw/zinc/28/92/80/203289280.db2.gz UHBOCABMQIHUGK-ZDUSSCGKSA-N 1 2 240.350 3.996 20 0 BHADLO Cc1nc(C)c([C@H](C)Nc2ccc(C)[nH+]c2)s1 ZINC000164789401 385042661 /nfs/dbraw/zinc/04/26/61/385042661.db2.gz PHTHCMDETDRCTJ-JTQLQIEISA-N 1 2 247.367 3.636 20 0 BHADLO Cc1nc(C)c([C@@H](C)Nc2ccc(C)[nH+]c2)s1 ZINC000164789524 385042832 /nfs/dbraw/zinc/04/28/32/385042832.db2.gz PHTHCMDETDRCTJ-SNVBAGLBSA-N 1 2 247.367 3.636 20 0 BHADLO Cc1ccc(NCc2cc(Cl)cs2)c[nH+]1 ZINC000164816064 388248348 /nfs/dbraw/zinc/24/83/48/388248348.db2.gz CRQRQHQKRFDWPW-UHFFFAOYSA-N 1 2 238.743 3.717 20 0 BHADLO Cc1ccc(N[C@@H](C)CCc2ccccc2)c[nH+]1 ZINC000164823502 203381944 /nfs/dbraw/zinc/38/19/44/203381944.db2.gz QWAXDAOPGKWXOD-AWEZNQCLSA-N 1 2 240.350 3.823 20 0 BHADLO Cc1ccc(N[C@H](C)CCc2ccccc2)c[nH+]1 ZINC000164823593 203381760 /nfs/dbraw/zinc/38/17/60/203381760.db2.gz QWAXDAOPGKWXOD-CQSZACIVSA-N 1 2 240.350 3.823 20 0 BHADLO Cc1ccc(N[C@@H]2CCCc3ccccc32)c[nH+]1 ZINC000164830087 386336944 /nfs/dbraw/zinc/33/69/44/386336944.db2.gz AMKJVHTXWKHVDP-MRXNPFEDSA-N 1 2 238.334 3.880 20 0 BHADLO Cc1ccc(N[C@H]2CCCc3ccccc32)c[nH+]1 ZINC000164830210 386336599 /nfs/dbraw/zinc/33/65/99/386336599.db2.gz AMKJVHTXWKHVDP-INIZCTEOSA-N 1 2 238.334 3.880 20 0 BHADLO COc1ccc([NH2+][C@@H](C)CC2CCC2)c(OC)c1 ZINC000164905238 640513676 /nfs/dbraw/zinc/51/36/76/640513676.db2.gz OVPAXOXCJCXRLS-NSHDSACASA-N 1 2 249.354 3.694 20 0 BHADLO COc1ccc([NH2+][C@H](C)CC2CCC2)c(OC)c1 ZINC000164905373 640513994 /nfs/dbraw/zinc/51/39/94/640513994.db2.gz OVPAXOXCJCXRLS-LLVKDONJSA-N 1 2 249.354 3.694 20 0 BHADLO Cc1cc([NH+](C)C)ccc1N[C@@H](C)CC1CC1 ZINC000164936708 640518638 /nfs/dbraw/zinc/51/86/38/640518638.db2.gz MGKNJWCTOLRBLZ-LBPRGKRZSA-N 1 2 232.371 3.662 20 0 BHADLO Cc1cc(N(C)C)ccc1[NH2+][C@@H](C)CC1CC1 ZINC000164936708 640518636 /nfs/dbraw/zinc/51/86/36/640518636.db2.gz MGKNJWCTOLRBLZ-LBPRGKRZSA-N 1 2 232.371 3.662 20 0 BHADLO Cc1cc([NH+](C)C)ccc1N[C@H](C)CC1CC1 ZINC000164936825 640518044 /nfs/dbraw/zinc/51/80/44/640518044.db2.gz MGKNJWCTOLRBLZ-GFCCVEGCSA-N 1 2 232.371 3.662 20 0 BHADLO Cc1cc(N(C)C)ccc1[NH2+][C@H](C)CC1CC1 ZINC000164936825 640518038 /nfs/dbraw/zinc/51/80/38/640518038.db2.gz MGKNJWCTOLRBLZ-GFCCVEGCSA-N 1 2 232.371 3.662 20 0 BHADLO C[C@@H](CC1CC1)Nc1ccc([NH+]2CCCC2)cc1 ZINC000164982802 640525708 /nfs/dbraw/zinc/52/57/08/640525708.db2.gz MQCAJDGQZPCHAU-ZDUSSCGKSA-N 1 2 244.382 3.887 20 0 BHADLO C[C@@H](CC1CC1)[NH2+]c1ccc(N2CCCC2)cc1 ZINC000164982802 640525705 /nfs/dbraw/zinc/52/57/05/640525705.db2.gz MQCAJDGQZPCHAU-ZDUSSCGKSA-N 1 2 244.382 3.887 20 0 BHADLO C[C@H](CC1CC1)Nc1ccc([NH+]2CCCC2)cc1 ZINC000164982924 636008262 /nfs/dbraw/zinc/00/82/62/636008262.db2.gz MQCAJDGQZPCHAU-CYBMUJFWSA-N 1 2 244.382 3.887 20 0 BHADLO C[C@H](CC1CC1)[NH2+]c1ccc(N2CCCC2)cc1 ZINC000164982924 636008258 /nfs/dbraw/zinc/00/82/58/636008258.db2.gz MQCAJDGQZPCHAU-CYBMUJFWSA-N 1 2 244.382 3.887 20 0 BHADLO COc1ccc([NH2+]CCCC(C)C)c(OC)c1 ZINC000165171492 640544885 /nfs/dbraw/zinc/54/48/85/640544885.db2.gz AZEKUOZKGUNOHK-UHFFFAOYSA-N 1 2 237.343 3.552 20 0 BHADLO Cc1ccc(N[C@@H]2CCc3cc(F)ccc32)c[nH+]1 ZINC000165294696 203383509 /nfs/dbraw/zinc/38/35/09/203383509.db2.gz YLRUCBIETWIVLX-OAHLLOKOSA-N 1 2 242.297 3.629 20 0 BHADLO Cc1ccc(N[C@H]2CCc3cc(F)ccc32)c[nH+]1 ZINC000165294820 203382329 /nfs/dbraw/zinc/38/23/29/203382329.db2.gz YLRUCBIETWIVLX-HNNXBMFYSA-N 1 2 242.297 3.629 20 0 BHADLO C[C@@H](CC1CCC1)[NH2+]c1ccc(N(C)C)cc1 ZINC000165510370 633093129 /nfs/dbraw/zinc/09/31/29/633093129.db2.gz WVMPJQGJKNSEGA-LBPRGKRZSA-N 1 2 232.371 3.743 20 0 BHADLO C[C@H](CC1CCC1)[NH2+]c1ccc(N(C)C)cc1 ZINC000165510499 633092721 /nfs/dbraw/zinc/09/27/21/633092721.db2.gz WVMPJQGJKNSEGA-GFCCVEGCSA-N 1 2 232.371 3.743 20 0 BHADLO CC[C@@H]1CCC[C@@H]1[NH2+]c1ccc(N(C)C)cc1 ZINC000165510642 640581709 /nfs/dbraw/zinc/58/17/09/640581709.db2.gz AOMWZLRUXQVMIC-DOMZBBRYSA-N 1 2 232.371 3.743 20 0 BHADLO CC[C@H]1CCC[C@@H]1[NH2+]c1ccc(N(C)C)cc1 ZINC000165510765 633093065 /nfs/dbraw/zinc/09/30/65/633093065.db2.gz AOMWZLRUXQVMIC-WFASDCNBSA-N 1 2 232.371 3.743 20 0 BHADLO CC[C@@H]1CCC[C@H]1[NH2+]c1ccc(N(C)C)cc1 ZINC000165510890 633092996 /nfs/dbraw/zinc/09/29/96/633092996.db2.gz AOMWZLRUXQVMIC-IUODEOHRSA-N 1 2 232.371 3.743 20 0 BHADLO CC[C@H]1CCC[C@H]1[NH2+]c1ccc(N(C)C)cc1 ZINC000165511021 640582801 /nfs/dbraw/zinc/58/28/01/640582801.db2.gz AOMWZLRUXQVMIC-SWLSCSKDSA-N 1 2 232.371 3.743 20 0 BHADLO CC[C@H]([NH2+][C@H]1CC=CCC1)c1cccc(F)c1 ZINC000166613344 136361929 /nfs/dbraw/zinc/36/19/29/136361929.db2.gz IDDSILJECQBNTD-GJZGRUSLSA-N 1 2 233.330 3.975 20 0 BHADLO CC[C@@H]([NH2+][C@H]1CC=CCC1)c1cccc(F)c1 ZINC000166613446 136361925 /nfs/dbraw/zinc/36/19/25/136361925.db2.gz IDDSILJECQBNTD-LSDHHAIUSA-N 1 2 233.330 3.975 20 0 BHADLO CC1(C)CC([NH2+]CC(F)(F)F)CC(C)(C)C1 ZINC000168290088 385340287 /nfs/dbraw/zinc/34/02/87/385340287.db2.gz XWDIKRIHKRDVHD-UHFFFAOYSA-N 1 2 237.309 3.743 20 0 BHADLO Cc1cc2[nH+]cn([C@H]3C=CCCC3)c2cc1C ZINC000169242284 384456598 /nfs/dbraw/zinc/45/65/98/384456598.db2.gz DDSXTBKKYCDXSR-ZDUSSCGKSA-N 1 2 226.323 3.934 20 0 BHADLO Cc1cc2[nH+]cn([C@@H]3C=CCCC3)c2cc1C ZINC000169242366 384456647 /nfs/dbraw/zinc/45/66/47/384456647.db2.gz DDSXTBKKYCDXSR-CYBMUJFWSA-N 1 2 226.323 3.934 20 0 BHADLO Cc1ccc([C@@H](C)[NH2+]Cc2cc(C(C)C)no2)o1 ZINC000169285205 537856914 /nfs/dbraw/zinc/85/69/14/537856914.db2.gz WNWFGKICOIZHQQ-LLVKDONJSA-N 1 2 248.326 3.550 20 0 BHADLO Cc1ccc([C@H](C)[NH2+]Cc2cc(C(C)C)no2)o1 ZINC000169285274 537857403 /nfs/dbraw/zinc/85/74/03/537857403.db2.gz WNWFGKICOIZHQQ-NSHDSACASA-N 1 2 248.326 3.550 20 0 BHADLO Clc1ccc(C[NH+]2Cc3ccccc3C2)s1 ZINC000171573818 134259108 /nfs/dbraw/zinc/25/91/08/134259108.db2.gz SPNZABXEWYERDY-UHFFFAOYSA-N 1 2 249.766 3.917 20 0 BHADLO CC(C)(C)[C@H]([NH2+]CC(F)F)c1ccccc1 ZINC000171669477 372727272 /nfs/dbraw/zinc/72/72/72/372727272.db2.gz HRXXOQHYCFOVSA-GFCCVEGCSA-N 1 2 227.298 3.629 20 0 BHADLO CC(C)(C)[C@@H]([NH2+]CC(F)F)c1ccccc1 ZINC000171669481 372727573 /nfs/dbraw/zinc/72/75/73/372727573.db2.gz HRXXOQHYCFOVSA-LBPRGKRZSA-N 1 2 227.298 3.629 20 0 BHADLO CC(C)c1cccc([N@@H+](C)CC2CCOCC2)c1 ZINC000171826048 365245183 /nfs/dbraw/zinc/24/51/83/365245183.db2.gz CHWPUQUNWMVUPU-UHFFFAOYSA-N 1 2 247.382 3.673 20 0 BHADLO CC(C)c1cccc([N@H+](C)CC2CCOCC2)c1 ZINC000171826048 365245178 /nfs/dbraw/zinc/24/51/78/365245178.db2.gz CHWPUQUNWMVUPU-UHFFFAOYSA-N 1 2 247.382 3.673 20 0 BHADLO CC[C@@H](C)[N@H+](Cc1ccccc1)CC(F)F ZINC000171990079 365265860 /nfs/dbraw/zinc/26/58/60/365265860.db2.gz KROCXHHJOBZHOB-LLVKDONJSA-N 1 2 227.298 3.552 20 0 BHADLO CC[C@@H](C)[N@@H+](Cc1ccccc1)CC(F)F ZINC000171990079 365265854 /nfs/dbraw/zinc/26/58/54/365265854.db2.gz KROCXHHJOBZHOB-LLVKDONJSA-N 1 2 227.298 3.552 20 0 BHADLO CC[C@H](C)[N@H+](Cc1ccccc1)CC(F)F ZINC000171990081 365266642 /nfs/dbraw/zinc/26/66/42/365266642.db2.gz KROCXHHJOBZHOB-NSHDSACASA-N 1 2 227.298 3.552 20 0 BHADLO CC[C@H](C)[N@@H+](Cc1ccccc1)CC(F)F ZINC000171990081 365266640 /nfs/dbraw/zinc/26/66/40/365266640.db2.gz KROCXHHJOBZHOB-NSHDSACASA-N 1 2 227.298 3.552 20 0 BHADLO C[C@@H](C1CC1)[N@H+](Cc1ccccc1)CC(F)F ZINC000171990559 372847316 /nfs/dbraw/zinc/84/73/16/372847316.db2.gz RTPCCFJZZFBAOQ-NSHDSACASA-N 1 2 239.309 3.552 20 0 BHADLO C[C@@H](C1CC1)[N@@H+](Cc1ccccc1)CC(F)F ZINC000171990559 372847308 /nfs/dbraw/zinc/84/73/08/372847308.db2.gz RTPCCFJZZFBAOQ-NSHDSACASA-N 1 2 239.309 3.552 20 0 BHADLO C[C@H](C1CC1)[N@H+](Cc1ccccc1)CC(F)F ZINC000171990561 372847073 /nfs/dbraw/zinc/84/70/73/372847073.db2.gz RTPCCFJZZFBAOQ-LLVKDONJSA-N 1 2 239.309 3.552 20 0 BHADLO C[C@H](C1CC1)[N@@H+](Cc1ccccc1)CC(F)F ZINC000171990561 372847065 /nfs/dbraw/zinc/84/70/65/372847065.db2.gz RTPCCFJZZFBAOQ-LLVKDONJSA-N 1 2 239.309 3.552 20 0 BHADLO CC(C)(C)[C@H]([NH2+]CC(F)F)c1ccc(F)cc1 ZINC000171990969 372847659 /nfs/dbraw/zinc/84/76/59/372847659.db2.gz BEWCAECZUCFPJV-GFCCVEGCSA-N 1 2 245.288 3.768 20 0 BHADLO CC(C)(C)[C@@H]([NH2+]CC(F)F)c1ccc(F)cc1 ZINC000171990972 372846915 /nfs/dbraw/zinc/84/69/15/372846915.db2.gz BEWCAECZUCFPJV-LBPRGKRZSA-N 1 2 245.288 3.768 20 0 BHADLO C[N@@H+](CCc1cccc2ccccc21)CC(F)F ZINC000171991784 344275171 /nfs/dbraw/zinc/27/51/71/344275171.db2.gz ZOQUEYMLXZHSOT-UHFFFAOYSA-N 1 2 249.304 3.579 20 0 BHADLO C[N@H+](CCc1cccc2ccccc21)CC(F)F ZINC000171991784 344275170 /nfs/dbraw/zinc/27/51/70/344275170.db2.gz ZOQUEYMLXZHSOT-UHFFFAOYSA-N 1 2 249.304 3.579 20 0 BHADLO Fc1ccc([C@H]([NH2+]CC(F)F)C2CCC2)cc1 ZINC000171992168 344275692 /nfs/dbraw/zinc/27/56/92/344275692.db2.gz YFKYSRXRDNMZPK-CYBMUJFWSA-N 1 2 243.272 3.522 20 0 BHADLO Fc1ccc([C@@H]([NH2+]CC(F)F)C2CCC2)cc1 ZINC000171992171 372849014 /nfs/dbraw/zinc/84/90/14/372849014.db2.gz YFKYSRXRDNMZPK-ZDUSSCGKSA-N 1 2 243.272 3.522 20 0 BHADLO FC(F)C[NH2+]C1(c2ccc(Cl)cc2)CCC1 ZINC000171992208 346087785 /nfs/dbraw/zinc/08/77/85/346087785.db2.gz URUAGDOJXNIIOC-UHFFFAOYSA-N 1 2 245.700 3.574 20 0 BHADLO CC(C)[C@@H](c1ccccc1)[N@@H+](C)CC(F)F ZINC000171994717 372852436 /nfs/dbraw/zinc/85/24/36/372852436.db2.gz XZXJACCNZXROPF-ZDUSSCGKSA-N 1 2 227.298 3.581 20 0 BHADLO CC(C)[C@@H](c1ccccc1)[N@H+](C)CC(F)F ZINC000171994717 372852429 /nfs/dbraw/zinc/85/24/29/372852429.db2.gz XZXJACCNZXROPF-ZDUSSCGKSA-N 1 2 227.298 3.581 20 0 BHADLO CC(C)[C@H](c1ccccc1)[N@@H+](C)CC(F)F ZINC000171994719 344422069 /nfs/dbraw/zinc/42/20/69/344422069.db2.gz XZXJACCNZXROPF-CYBMUJFWSA-N 1 2 227.298 3.581 20 0 BHADLO CC(C)[C@H](c1ccccc1)[N@H+](C)CC(F)F ZINC000171994719 344422068 /nfs/dbraw/zinc/42/20/68/344422068.db2.gz XZXJACCNZXROPF-CYBMUJFWSA-N 1 2 227.298 3.581 20 0 BHADLO Cc1ccc([C@@H]2CCCCC[N@H+]2CC(F)F)o1 ZINC000172598365 373022707 /nfs/dbraw/zinc/02/27/07/373022707.db2.gz CYUAJHUGZPXFRI-NSHDSACASA-N 1 2 243.297 3.770 20 0 BHADLO Cc1ccc([C@@H]2CCCCC[N@@H+]2CC(F)F)o1 ZINC000172598365 373022701 /nfs/dbraw/zinc/02/27/01/373022701.db2.gz CYUAJHUGZPXFRI-NSHDSACASA-N 1 2 243.297 3.770 20 0 BHADLO Cc1ccc([C@H]2CCCCC[N@H+]2CC(F)F)o1 ZINC000172598369 373022668 /nfs/dbraw/zinc/02/26/68/373022668.db2.gz CYUAJHUGZPXFRI-LLVKDONJSA-N 1 2 243.297 3.770 20 0 BHADLO Cc1ccc([C@H]2CCCCC[N@@H+]2CC(F)F)o1 ZINC000172598369 373022664 /nfs/dbraw/zinc/02/26/64/373022664.db2.gz CYUAJHUGZPXFRI-LLVKDONJSA-N 1 2 243.297 3.770 20 0 BHADLO Cc1c[nH+]ccc1NC(=O)C1CCCCCCC1 ZINC000172911339 384635164 /nfs/dbraw/zinc/63/51/64/384635164.db2.gz BDGRSJBSEICODZ-UHFFFAOYSA-N 1 2 246.354 3.689 20 0 BHADLO CC(C)[C@@H](C)SCc1cn2ccccc2[nH+]1 ZINC000172964803 528422117 /nfs/dbraw/zinc/42/21/17/528422117.db2.gz WIUCLBKBBHSOPD-LLVKDONJSA-N 1 2 234.368 3.612 20 0 BHADLO CC(C)[C@H](C)SCc1cn2ccccc2[nH+]1 ZINC000172964810 528973567 /nfs/dbraw/zinc/97/35/67/528973567.db2.gz WIUCLBKBBHSOPD-NSHDSACASA-N 1 2 234.368 3.612 20 0 BHADLO C[C@@H](c1ccccc1)[N@@H+](C)C/C(Cl)=C/Cl ZINC000173177391 641150496 /nfs/dbraw/zinc/15/04/96/641150496.db2.gz GIJYWLRTYLAILX-UVIKPUKZSA-N 1 2 244.165 3.998 20 0 BHADLO C[C@@H](c1ccccc1)[N@H+](C)C/C(Cl)=C/Cl ZINC000173177391 641150490 /nfs/dbraw/zinc/15/04/90/641150490.db2.gz GIJYWLRTYLAILX-UVIKPUKZSA-N 1 2 244.165 3.998 20 0 BHADLO C[C@H](c1ccccc1)[N@@H+](C)C/C(Cl)=C/Cl ZINC000173177405 641151979 /nfs/dbraw/zinc/15/19/79/641151979.db2.gz GIJYWLRTYLAILX-BKLZJWBFSA-N 1 2 244.165 3.998 20 0 BHADLO C[C@H](c1ccccc1)[N@H+](C)C/C(Cl)=C/Cl ZINC000173177405 641151974 /nfs/dbraw/zinc/15/19/74/641151974.db2.gz GIJYWLRTYLAILX-BKLZJWBFSA-N 1 2 244.165 3.998 20 0 BHADLO Cc1cccc([C@@H](C)[N@@H+](C)Cc2cscn2)c1 ZINC000173251586 179178930 /nfs/dbraw/zinc/17/89/30/179178930.db2.gz FBRZIUNNTBEJGY-GFCCVEGCSA-N 1 2 246.379 3.645 20 0 BHADLO Cc1cccc([C@@H](C)[N@H+](C)Cc2cscn2)c1 ZINC000173251586 179178929 /nfs/dbraw/zinc/17/89/29/179178929.db2.gz FBRZIUNNTBEJGY-GFCCVEGCSA-N 1 2 246.379 3.645 20 0 BHADLO Cc1cccc([C@H](C)[N@@H+](C)Cc2cscn2)c1 ZINC000173251602 179192859 /nfs/dbraw/zinc/19/28/59/179192859.db2.gz FBRZIUNNTBEJGY-LBPRGKRZSA-N 1 2 246.379 3.645 20 0 BHADLO Cc1cccc([C@H](C)[N@H+](C)Cc2cscn2)c1 ZINC000173251602 179192856 /nfs/dbraw/zinc/19/28/56/179192856.db2.gz FBRZIUNNTBEJGY-LBPRGKRZSA-N 1 2 246.379 3.645 20 0 BHADLO OCCCCC[N@H+](c1ccccc1)C1CCCC1 ZINC000173362513 385552992 /nfs/dbraw/zinc/55/29/92/385552992.db2.gz SLSFOZUPWPHWKR-UHFFFAOYSA-N 1 2 247.382 3.598 20 0 BHADLO OCCCCC[N@@H+](c1ccccc1)C1CCCC1 ZINC000173362513 385552988 /nfs/dbraw/zinc/55/29/88/385552988.db2.gz SLSFOZUPWPHWKR-UHFFFAOYSA-N 1 2 247.382 3.598 20 0 BHADLO CCCSCc1[nH+]ccn1Cc1ccccc1 ZINC000174250259 528831259 /nfs/dbraw/zinc/83/12/59/528831259.db2.gz YVNQESDDQGILIH-UHFFFAOYSA-N 1 2 246.379 3.575 20 0 BHADLO CC(C)SCc1[nH+]ccn1Cc1ccccc1 ZINC000174251455 167336285 /nfs/dbraw/zinc/33/62/85/167336285.db2.gz KIFHMWLKJHSASB-UHFFFAOYSA-N 1 2 246.379 3.573 20 0 BHADLO Cc1cccc([C@@H](C)[N@@H+](C)Cc2nccs2)c1 ZINC000175047702 179178982 /nfs/dbraw/zinc/17/89/82/179178982.db2.gz MLRBJZNHWRTTML-GFCCVEGCSA-N 1 2 246.379 3.645 20 0 BHADLO Cc1cccc([C@@H](C)[N@H+](C)Cc2nccs2)c1 ZINC000175047702 179178979 /nfs/dbraw/zinc/17/89/79/179178979.db2.gz MLRBJZNHWRTTML-GFCCVEGCSA-N 1 2 246.379 3.645 20 0 BHADLO Cc1cccc([C@H](C)[N@@H+](C)Cc2nccs2)c1 ZINC000175047720 179193457 /nfs/dbraw/zinc/19/34/57/179193457.db2.gz MLRBJZNHWRTTML-LBPRGKRZSA-N 1 2 246.379 3.645 20 0 BHADLO Cc1cccc([C@H](C)[N@H+](C)Cc2nccs2)c1 ZINC000175047720 179193454 /nfs/dbraw/zinc/19/34/54/179193454.db2.gz MLRBJZNHWRTTML-LBPRGKRZSA-N 1 2 246.379 3.645 20 0 BHADLO Cc1ccc(NC(=O)CC2CCCCC2)c(C)[nH+]1 ZINC000176189147 385034573 /nfs/dbraw/zinc/03/45/73/385034573.db2.gz VVNKDFFWBFTAJX-UHFFFAOYSA-N 1 2 246.354 3.607 20 0 BHADLO Cc1c[nH+]ccc1NC(=O)CC1CCCCCC1 ZINC000176310032 388451840 /nfs/dbraw/zinc/45/18/40/388451840.db2.gz NEHCBXVTQZFDDS-UHFFFAOYSA-N 1 2 246.354 3.689 20 0 BHADLO CC(C(=O)Nc1ccc(C)[nH+]c1C)=C1CCCC1 ZINC000176511143 385105023 /nfs/dbraw/zinc/10/50/23/385105023.db2.gz LHDYYZPQADFOOD-UHFFFAOYSA-N 1 2 244.338 3.527 20 0 BHADLO CCC1(C(=O)Nc2ccc(C)[nH+]c2C)CCCC1 ZINC000176708816 385140514 /nfs/dbraw/zinc/14/05/14/385140514.db2.gz AFKHOIMMOASEKF-UHFFFAOYSA-N 1 2 246.354 3.607 20 0 BHADLO CCCSCc1cn2cc(Cl)ccc2[nH+]1 ZINC000176897948 384807422 /nfs/dbraw/zinc/80/74/22/384807422.db2.gz MDEDFBOURVDCHS-UHFFFAOYSA-N 1 2 240.759 3.631 20 0 BHADLO CCC(CC)CC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000177131163 384638836 /nfs/dbraw/zinc/63/88/36/384638836.db2.gz FWWCCXRMCPJPKT-UHFFFAOYSA-N 1 2 248.370 3.772 20 0 BHADLO CCC(=CC(=O)Nc1c(C)cc(C)[nH+]c1C)CC ZINC000177131269 632763574 /nfs/dbraw/zinc/76/35/74/632763574.db2.gz CFERQZRLMIDZJE-UHFFFAOYSA-N 1 2 246.354 3.692 20 0 BHADLO CCCSCc1ccc(-n2cc[nH+]c2)cc1 ZINC000177819257 134300316 /nfs/dbraw/zinc/30/03/16/134300316.db2.gz NKUFQTFMSRROQG-UHFFFAOYSA-N 1 2 232.352 3.516 20 0 BHADLO CC(C)(C)[N@H+](Cc1ccccc1)CC(F)F ZINC000177823504 538952381 /nfs/dbraw/zinc/95/23/81/538952381.db2.gz BIIVECSIANCNMF-UHFFFAOYSA-N 1 2 227.298 3.552 20 0 BHADLO CC(C)(C)[N@@H+](Cc1ccccc1)CC(F)F ZINC000177823504 538952380 /nfs/dbraw/zinc/95/23/80/538952380.db2.gz BIIVECSIANCNMF-UHFFFAOYSA-N 1 2 227.298 3.552 20 0 BHADLO CC(C)SCc1ccc(-n2cc[nH+]c2)cc1 ZINC000177838684 134303665 /nfs/dbraw/zinc/30/36/65/134303665.db2.gz PVCXFSFRYNNARA-UHFFFAOYSA-N 1 2 232.352 3.514 20 0 BHADLO CC(C)(C)[N@H+](Cc1ccc(F)cc1)CC(F)F ZINC000177871295 538952385 /nfs/dbraw/zinc/95/23/85/538952385.db2.gz KPFBJXDJJUIPJD-UHFFFAOYSA-N 1 2 245.288 3.691 20 0 BHADLO CC(C)(C)[N@@H+](Cc1ccc(F)cc1)CC(F)F ZINC000177871295 538952384 /nfs/dbraw/zinc/95/23/84/538952384.db2.gz KPFBJXDJJUIPJD-UHFFFAOYSA-N 1 2 245.288 3.691 20 0 BHADLO C/C=C(\C=C\C(=O)Nc1ccc(C)[nH+]c1C)CC ZINC000177899414 385302953 /nfs/dbraw/zinc/30/29/53/385302953.db2.gz AVLBTXWAIZGPDH-BORDEDGDSA-N 1 2 244.338 3.549 20 0 BHADLO Cc1cc(C[N@H+](CC(F)F)C(C)C)c(C)s1 ZINC000178563051 134308591 /nfs/dbraw/zinc/30/85/91/134308591.db2.gz KUROJFYCKMTKFV-UHFFFAOYSA-N 1 2 247.354 3.840 20 0 BHADLO Cc1cc(C[N@@H+](CC(F)F)C(C)C)c(C)s1 ZINC000178563051 134308590 /nfs/dbraw/zinc/30/85/90/134308590.db2.gz KUROJFYCKMTKFV-UHFFFAOYSA-N 1 2 247.354 3.840 20 0 BHADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1CCCC(C)(C)C1 ZINC000178893496 385424986 /nfs/dbraw/zinc/42/49/86/385424986.db2.gz YUDBSWIEMHTIAN-GFCCVEGCSA-N 1 2 246.354 3.545 20 0 BHADLO Cc1c[nH+]ccc1NC(=O)[C@H]1CCCC(C)(C)C1 ZINC000178893508 179709900 /nfs/dbraw/zinc/70/99/00/179709900.db2.gz YUDBSWIEMHTIAN-LBPRGKRZSA-N 1 2 246.354 3.545 20 0 BHADLO Cc1ccc2[nH+]c(CSCC(C)C)cn2c1 ZINC000179276577 398344885 /nfs/dbraw/zinc/34/48/85/398344885.db2.gz UBNWDASGWIPLBG-UHFFFAOYSA-N 1 2 234.368 3.532 20 0 BHADLO CCC[C@H](C(=O)Nc1ccc(C)[nH+]c1C)C(C)C ZINC000179430119 384289093 /nfs/dbraw/zinc/28/90/93/384289093.db2.gz JVQWSVRXYKHBKQ-ZDUSSCGKSA-N 1 2 248.370 3.709 20 0 BHADLO CCC[C@@H](C(=O)Nc1ccc(C)[nH+]c1C)C(C)C ZINC000179430132 384289460 /nfs/dbraw/zinc/28/94/60/384289460.db2.gz JVQWSVRXYKHBKQ-CYBMUJFWSA-N 1 2 248.370 3.709 20 0 BHADLO Cc1ccc(Cl)c(N[C@@H](C)c2[nH+]ccn2C)c1 ZINC000180086334 366373592 /nfs/dbraw/zinc/37/35/92/366373592.db2.gz GJMLPQZMLGFZNP-JTQLQIEISA-N 1 2 249.745 3.555 20 0 BHADLO Cc1ccc(Cl)c(N[C@H](C)c2[nH+]ccn2C)c1 ZINC000180086351 366373388 /nfs/dbraw/zinc/37/33/88/366373388.db2.gz GJMLPQZMLGFZNP-SNVBAGLBSA-N 1 2 249.745 3.555 20 0 BHADLO Cc1cccc(N[C@@H](C)c2[nH+]ccn2C)c1Cl ZINC000180093615 347014137 /nfs/dbraw/zinc/01/41/37/347014137.db2.gz VFWDKYFVJQMYSJ-JTQLQIEISA-N 1 2 249.745 3.555 20 0 BHADLO Cc1cccc(N[C@H](C)c2[nH+]ccn2C)c1Cl ZINC000180093625 366373368 /nfs/dbraw/zinc/37/33/68/366373368.db2.gz VFWDKYFVJQMYSJ-SNVBAGLBSA-N 1 2 249.745 3.555 20 0 BHADLO Cc1ccc(F)cc1C[N@H+](CC(F)F)C(C)C ZINC000180281607 384453025 /nfs/dbraw/zinc/45/30/25/384453025.db2.gz QIZOVIILFAOASM-UHFFFAOYSA-N 1 2 245.288 3.610 20 0 BHADLO Cc1ccc(F)cc1C[N@@H+](CC(F)F)C(C)C ZINC000180281607 384453017 /nfs/dbraw/zinc/45/30/17/384453017.db2.gz QIZOVIILFAOASM-UHFFFAOYSA-N 1 2 245.288 3.610 20 0 BHADLO CC[C@H](Nc1cccc(Cl)c1)c1[nH+]ccn1C ZINC000180372172 385519995 /nfs/dbraw/zinc/51/99/95/385519995.db2.gz SSYFVSYQWKSVEU-LBPRGKRZSA-N 1 2 249.745 3.637 20 0 BHADLO CC[C@@H](Nc1cccc(Cl)c1)c1[nH+]ccn1C ZINC000180372192 347025317 /nfs/dbraw/zinc/02/53/17/347025317.db2.gz SSYFVSYQWKSVEU-GFCCVEGCSA-N 1 2 249.745 3.637 20 0 BHADLO Cc1ccccc1CSCCCn1cc[nH+]c1 ZINC000180427371 179287819 /nfs/dbraw/zinc/28/78/19/179287819.db2.gz STOPPBNIZIYXAI-UHFFFAOYSA-N 1 2 246.379 3.515 20 0 BHADLO Cc1ccc(SCCCn2cc[nH+]c2)cc1C ZINC000180430617 134327027 /nfs/dbraw/zinc/32/70/27/134327027.db2.gz YEAGFQJESVGZJW-UHFFFAOYSA-N 1 2 246.379 3.682 20 0 BHADLO Cc1ccc(C)c(SCCCn2cc[nH+]c2)c1 ZINC000180430825 134327130 /nfs/dbraw/zinc/32/71/30/134327130.db2.gz VLXARJGPVBHFST-UHFFFAOYSA-N 1 2 246.379 3.682 20 0 BHADLO Cc1ccc(SCCCn2cc[nH+]c2)c(C)c1 ZINC000180430854 134327184 /nfs/dbraw/zinc/32/71/84/134327184.db2.gz QZTQCVKCNCRLHP-UHFFFAOYSA-N 1 2 246.379 3.682 20 0 BHADLO Cc1c[nH+]ccc1NC(=O)C1(C)CCCCCC1 ZINC000180742383 385544546 /nfs/dbraw/zinc/54/45/46/385544546.db2.gz QIINIFHYBQLGSK-UHFFFAOYSA-N 1 2 246.354 3.689 20 0 BHADLO FC(F)C[NH2+][C@H](CC1CCC1)c1ccccc1 ZINC000181345794 538960452 /nfs/dbraw/zinc/96/04/52/538960452.db2.gz ZZBZMPZAPMWDJL-CYBMUJFWSA-N 1 2 239.309 3.773 20 0 BHADLO FC(F)C[NH2+][C@@H](CC1CCC1)c1ccccc1 ZINC000181345813 538960507 /nfs/dbraw/zinc/96/05/07/538960507.db2.gz ZZBZMPZAPMWDJL-ZDUSSCGKSA-N 1 2 239.309 3.773 20 0 BHADLO CCSc1ccc([C@@H](C)[NH2+]CC(F)F)cc1 ZINC000182129513 538962021 /nfs/dbraw/zinc/96/20/21/538962021.db2.gz KVWJSBULNYGNIN-SECBINFHSA-N 1 2 245.338 3.714 20 0 BHADLO CCSc1ccc([C@H](C)[NH2+]CC(F)F)cc1 ZINC000182129536 538962010 /nfs/dbraw/zinc/96/20/10/538962010.db2.gz KVWJSBULNYGNIN-VIFPVBQESA-N 1 2 245.338 3.714 20 0 BHADLO C[C@H]([NH2+]C1(c2ccccc2F)CC1)c1ccco1 ZINC000182232238 385647859 /nfs/dbraw/zinc/64/78/59/385647859.db2.gz HIBODDOXRSMOMG-NSHDSACASA-N 1 2 245.297 3.759 20 0 BHADLO C[C@@H]([NH2+]C1(c2ccccc2F)CC1)c1ccco1 ZINC000182232259 385646045 /nfs/dbraw/zinc/64/60/45/385646045.db2.gz HIBODDOXRSMOMG-LLVKDONJSA-N 1 2 245.297 3.759 20 0 BHADLO Cc1cccc(NCc2[nH+]ccn2C(C)C)c1F ZINC000182327699 179151733 /nfs/dbraw/zinc/15/17/33/179151733.db2.gz GEEYTKOXYRTUGE-UHFFFAOYSA-N 1 2 247.317 3.524 20 0 BHADLO CCc1ccc(N[C@@H](CC)c2[nH+]ccn2C)cc1 ZINC000182760142 385702876 /nfs/dbraw/zinc/70/28/76/385702876.db2.gz ZLISCTACWGNJSB-AWEZNQCLSA-N 1 2 243.354 3.546 20 0 BHADLO CCc1ccc(N[C@H](CC)c2[nH+]ccn2C)cc1 ZINC000182760156 385703261 /nfs/dbraw/zinc/70/32/61/385703261.db2.gz ZLISCTACWGNJSB-CQSZACIVSA-N 1 2 243.354 3.546 20 0 BHADLO CCc1cccc(N[C@@H](CC)c2[nH+]ccn2C)c1 ZINC000182770862 385702074 /nfs/dbraw/zinc/70/20/74/385702074.db2.gz LDCPBWNTUGSSBG-AWEZNQCLSA-N 1 2 243.354 3.546 20 0 BHADLO CCc1cccc(N[C@H](CC)c2[nH+]ccn2C)c1 ZINC000182770882 385703505 /nfs/dbraw/zinc/70/35/05/385703505.db2.gz LDCPBWNTUGSSBG-CQSZACIVSA-N 1 2 243.354 3.546 20 0 BHADLO CC[C@@H](C)[C@@H](C)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000182787800 134348270 /nfs/dbraw/zinc/34/82/70/134348270.db2.gz YYHKOANRNNVMEO-BXKDBHETSA-N 1 2 248.370 3.628 20 0 BHADLO CC[C@H](C)[C@@H](C)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000182787819 536183757 /nfs/dbraw/zinc/18/37/57/536183757.db2.gz YYHKOANRNNVMEO-JOYOIKCWSA-N 1 2 248.370 3.628 20 0 BHADLO CC[C@@H](C)[C@H](C)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000182787838 134348208 /nfs/dbraw/zinc/34/82/08/134348208.db2.gz YYHKOANRNNVMEO-SKDRFNHKSA-N 1 2 248.370 3.628 20 0 BHADLO CC[C@H](C)[C@H](C)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000182787852 134348123 /nfs/dbraw/zinc/34/81/23/134348123.db2.gz YYHKOANRNNVMEO-CABZTGNLSA-N 1 2 248.370 3.628 20 0 BHADLO Cc1ccc(N[C@@H](C)c2cccc(F)c2F)c[nH+]1 ZINC000182907680 385488779 /nfs/dbraw/zinc/48/87/79/385488779.db2.gz HMMLSXPSAFVUKV-JTQLQIEISA-N 1 2 248.276 3.841 20 0 BHADLO Cc1ccc(N[C@H](C)c2cccc(F)c2F)c[nH+]1 ZINC000182907705 385488873 /nfs/dbraw/zinc/48/88/73/385488873.db2.gz HMMLSXPSAFVUKV-SNVBAGLBSA-N 1 2 248.276 3.841 20 0 BHADLO Cc1ccc(N[C@@H]2CCc3ccc(F)cc32)c[nH+]1 ZINC000182908814 366955890 /nfs/dbraw/zinc/95/58/90/366955890.db2.gz FECVKZONSFKNEL-OAHLLOKOSA-N 1 2 242.297 3.629 20 0 BHADLO Cc1ccc(N[C@H]2CCc3ccc(F)cc32)c[nH+]1 ZINC000182908832 366955572 /nfs/dbraw/zinc/95/55/72/366955572.db2.gz FECVKZONSFKNEL-HNNXBMFYSA-N 1 2 242.297 3.629 20 0 BHADLO Cc1ccc(N[C@@H]2c3ccccc3C[C@@H]2C)c[nH+]1 ZINC000182911926 366955509 /nfs/dbraw/zinc/95/55/09/366955509.db2.gz GNTXXMFVVVUXLL-ZBEGNZNMSA-N 1 2 238.334 3.735 20 0 BHADLO Cc1ccc(N[C@H]2c3ccccc3C[C@@H]2C)c[nH+]1 ZINC000182911948 366956303 /nfs/dbraw/zinc/95/63/03/366956303.db2.gz GNTXXMFVVVUXLL-MEDUHNTESA-N 1 2 238.334 3.735 20 0 BHADLO Cc1ccc(N[C@@H]2c3ccccc3C[C@H]2C)c[nH+]1 ZINC000182911970 366956039 /nfs/dbraw/zinc/95/60/39/366956039.db2.gz GNTXXMFVVVUXLL-BZNIZROVSA-N 1 2 238.334 3.735 20 0 BHADLO Cc1ccc(N[C@H]2c3ccccc3C[C@H]2C)c[nH+]1 ZINC000182911989 366956287 /nfs/dbraw/zinc/95/62/87/366956287.db2.gz GNTXXMFVVVUXLL-BDJLRTHQSA-N 1 2 238.334 3.735 20 0 BHADLO CC[C@H](Nc1ccc(Cl)cc1)c1[nH+]ccn1C ZINC000182913546 385720844 /nfs/dbraw/zinc/72/08/44/385720844.db2.gz DPLYFDSRIWUVCI-LBPRGKRZSA-N 1 2 249.745 3.637 20 0 BHADLO CC[C@@H](Nc1ccc(Cl)cc1)c1[nH+]ccn1C ZINC000182913568 347111249 /nfs/dbraw/zinc/11/12/49/347111249.db2.gz DPLYFDSRIWUVCI-GFCCVEGCSA-N 1 2 249.745 3.637 20 0 BHADLO c1[nH+]c2ccccn2c1CSc1ccccc1 ZINC000183145925 366979966 /nfs/dbraw/zinc/97/99/66/366979966.db2.gz CQIJKWWYIQDBTJ-UHFFFAOYSA-N 1 2 240.331 3.627 20 0 BHADLO c1[nH+]c2ccccn2c1CSC1CCCC1 ZINC000183151085 366979639 /nfs/dbraw/zinc/97/96/39/366979639.db2.gz HIJUYZABRXVICA-UHFFFAOYSA-N 1 2 232.352 3.510 20 0 BHADLO Cc1ccccc1[C@H]([NH2+]CC(F)F)C(C)C ZINC000183225776 538965718 /nfs/dbraw/zinc/96/57/18/538965718.db2.gz YGCDCYSCBKQOQG-CYBMUJFWSA-N 1 2 227.298 3.547 20 0 BHADLO Cc1ccccc1[C@@H]([NH2+]CC(F)F)C(C)C ZINC000183225796 538965920 /nfs/dbraw/zinc/96/59/20/538965920.db2.gz YGCDCYSCBKQOQG-ZDUSSCGKSA-N 1 2 227.298 3.547 20 0 BHADLO CC[N@H+](C/C(C)=C/c1ccccc1)CC(F)F ZINC000184087534 367063245 /nfs/dbraw/zinc/06/32/45/367063245.db2.gz XAWWNTDAJMNTSR-FMIVXFBMSA-N 1 2 239.309 3.677 20 0 BHADLO CC[N@@H+](C/C(C)=C/c1ccccc1)CC(F)F ZINC000184087534 367063243 /nfs/dbraw/zinc/06/32/43/367063243.db2.gz XAWWNTDAJMNTSR-FMIVXFBMSA-N 1 2 239.309 3.677 20 0 BHADLO CC/C=C/CCn1c[nH+]c2cc(F)c(F)cc21 ZINC000184423092 388578091 /nfs/dbraw/zinc/57/80/91/388578091.db2.gz AGFCZTWDPXDINX-ONEGZZNKSA-N 1 2 236.265 3.671 20 0 BHADLO Cc1ccc(CNc2ccc(F)c(C)c2)c(C)[nH+]1 ZINC000184440361 134360970 /nfs/dbraw/zinc/36/09/70/134360970.db2.gz FFXKZGBZJITDFE-UHFFFAOYSA-N 1 2 244.313 3.758 20 0 BHADLO Cc1ccc(CNc2cccc(F)c2C)c(C)[nH+]1 ZINC000184478635 134364529 /nfs/dbraw/zinc/36/45/29/134364529.db2.gz ZAQLYUWRAOMROA-UHFFFAOYSA-N 1 2 244.313 3.758 20 0 BHADLO Cc1cc(F)cc(NCc2ccc(C)[nH+]c2C)c1 ZINC000184492132 134364633 /nfs/dbraw/zinc/36/46/33/134364633.db2.gz MUTFYWSVLWLTCU-UHFFFAOYSA-N 1 2 244.313 3.758 20 0 BHADLO Cc1ccc(CNc2cccc(C)c2F)c(C)[nH+]1 ZINC000184503066 134365782 /nfs/dbraw/zinc/36/57/82/134365782.db2.gz GLCZPGNAELSGOZ-UHFFFAOYSA-N 1 2 244.313 3.758 20 0 BHADLO c1cn(CCSCC2CCCCCC2)c[nH+]1 ZINC000184542946 134363313 /nfs/dbraw/zinc/36/33/13/134363313.db2.gz MDDNRDLNSVFYSB-UHFFFAOYSA-N 1 2 238.400 3.587 20 0 BHADLO CCSc1cccc(CNc2cccc[nH+]2)c1 ZINC000184782767 388582017 /nfs/dbraw/zinc/58/20/17/388582017.db2.gz KRONOVINUMHCPX-UHFFFAOYSA-N 1 2 244.363 3.806 20 0 BHADLO Cc1ccc(SCc2ccc(C)[nH+]c2C)nc1 ZINC000184812761 134368882 /nfs/dbraw/zinc/36/88/82/134368882.db2.gz ZTDXUBBJNZOHTN-UHFFFAOYSA-N 1 2 244.363 3.694 20 0 BHADLO CCCCSCc1ccc(C)[nH+]c1C ZINC000184813959 134369108 /nfs/dbraw/zinc/36/91/08/134369108.db2.gz JUPMPSOQCJACGN-UHFFFAOYSA-N 1 2 209.358 3.732 20 0 BHADLO Cc1ccc(CSCC(C)C)c(C)[nH+]1 ZINC000184817072 134369330 /nfs/dbraw/zinc/36/93/30/134369330.db2.gz QEMIDBOYVODXEV-UHFFFAOYSA-N 1 2 209.358 3.588 20 0 BHADLO C/C=C/CSCc1ccc(C)[nH+]c1C ZINC000184822453 347180236 /nfs/dbraw/zinc/18/02/36/347180236.db2.gz NDPOHBQGCTWDQO-SNAWJCMRSA-N 1 2 207.342 3.508 20 0 BHADLO CCSCCSCc1ccc(C)[nH+]c1C ZINC000184861828 643246084 /nfs/dbraw/zinc/24/60/84/643246084.db2.gz WYQQIQWSKOALOB-UHFFFAOYSA-N 1 2 241.425 3.685 20 0 BHADLO Cc1cc(C)c(NC(=O)[C@@H](C)CC(C)C)c(C)[nH+]1 ZINC000185105535 134374457 /nfs/dbraw/zinc/37/44/57/134374457.db2.gz KQCJPROHZGIPDM-NSHDSACASA-N 1 2 248.370 3.628 20 0 BHADLO Cc1cc(C)c(NC(=O)[C@H](C)CC(C)C)c(C)[nH+]1 ZINC000185105551 134374786 /nfs/dbraw/zinc/37/47/86/134374786.db2.gz KQCJPROHZGIPDM-LLVKDONJSA-N 1 2 248.370 3.628 20 0 BHADLO Cc1ccc(COc2ccccc2Cl)c(C)[nH+]1 ZINC000185232411 134375715 /nfs/dbraw/zinc/37/57/15/134375715.db2.gz WZCZXGDSRMMPOM-UHFFFAOYSA-N 1 2 247.725 3.931 20 0 BHADLO Cc1ccc(OCc2ccc(C)[nH+]c2C)cc1 ZINC000185232741 134375730 /nfs/dbraw/zinc/37/57/30/134375730.db2.gz KNXFNPANBRNILW-UHFFFAOYSA-N 1 2 227.307 3.586 20 0 BHADLO Cc1cccc(OCc2ccc(C)[nH+]c2C)c1 ZINC000185232879 134375751 /nfs/dbraw/zinc/37/57/51/134375751.db2.gz VYIRAPNBVLFWSA-UHFFFAOYSA-N 1 2 227.307 3.586 20 0 BHADLO Cc1ccc(COc2ccccc2C)c(C)[nH+]1 ZINC000185232950 134375525 /nfs/dbraw/zinc/37/55/25/134375525.db2.gz BEWYEFDLCHLXCC-UHFFFAOYSA-N 1 2 227.307 3.586 20 0 BHADLO Cc1ccc(COc2ccc(F)c(F)c2)c(C)[nH+]1 ZINC000185275591 134375918 /nfs/dbraw/zinc/37/59/18/134375918.db2.gz AVDMOVHXRZHGBQ-UHFFFAOYSA-N 1 2 249.260 3.556 20 0 BHADLO Cc1ccc(COc2cc(F)cc(F)c2)c(C)[nH+]1 ZINC000185363066 134377249 /nfs/dbraw/zinc/37/72/49/134377249.db2.gz GYBYIFIKSXKGDA-UHFFFAOYSA-N 1 2 249.260 3.556 20 0 BHADLO Cc1ccc(COc2cccc(F)c2F)c(C)[nH+]1 ZINC000185366176 134377111 /nfs/dbraw/zinc/37/71/11/134377111.db2.gz CIVRKEIMBKFBFT-UHFFFAOYSA-N 1 2 249.260 3.556 20 0 BHADLO Cc1ccc(COc2cc(F)ccc2F)c(C)[nH+]1 ZINC000185368246 134377217 /nfs/dbraw/zinc/37/72/17/134377217.db2.gz LGKDNBXALOXVDT-UHFFFAOYSA-N 1 2 249.260 3.556 20 0 BHADLO Cc1ccc(F)c(OCc2ccc(C)[nH+]c2C)c1 ZINC000185373775 134377422 /nfs/dbraw/zinc/37/74/22/134377422.db2.gz RNRSMIDDBXOUON-UHFFFAOYSA-N 1 2 245.297 3.725 20 0 BHADLO Cc1ccc(COc2cccc(C)c2F)c(C)[nH+]1 ZINC000185434618 134380702 /nfs/dbraw/zinc/38/07/02/134380702.db2.gz ULDCWMGEVUSTRY-UHFFFAOYSA-N 1 2 245.297 3.725 20 0 BHADLO CCCC(CCC)SCCCn1cc[nH+]c1 ZINC000185535569 367134413 /nfs/dbraw/zinc/13/44/13/367134413.db2.gz KJLZKGDMNFBHBM-UHFFFAOYSA-N 1 2 240.416 3.975 20 0 BHADLO c1cn(CCCSCC2CCCCC2)c[nH+]1 ZINC000185535669 134381536 /nfs/dbraw/zinc/38/15/36/134381536.db2.gz NNYBQMHTLYCHPC-UHFFFAOYSA-N 1 2 238.400 3.587 20 0 BHADLO C/C(=C\C(C)(C)C)C(=O)Nc1ccc(C)[nH+]c1C ZINC000185677832 384759020 /nfs/dbraw/zinc/75/90/20/384759020.db2.gz QLAIGTZFGNOYIF-MDZDMXLPSA-N 1 2 246.354 3.629 20 0 BHADLO CCC1(C(=O)Nc2cc[nH+]cc2C)CCCCC1 ZINC000185832060 384774901 /nfs/dbraw/zinc/77/49/01/384774901.db2.gz KSTQMGODOFSCSR-UHFFFAOYSA-N 1 2 246.354 3.689 20 0 BHADLO COc1ccsc1[C@H](C)Nc1ccc(C)[nH+]c1 ZINC000186255482 175380466 /nfs/dbraw/zinc/38/04/66/175380466.db2.gz OLHNCVJSWSIHLA-JTQLQIEISA-N 1 2 248.351 3.633 20 0 BHADLO COc1ccsc1[C@@H](C)Nc1ccc(C)[nH+]c1 ZINC000186255495 175379430 /nfs/dbraw/zinc/37/94/30/175379430.db2.gz OLHNCVJSWSIHLA-SNVBAGLBSA-N 1 2 248.351 3.633 20 0 BHADLO CCC[C@H](Nc1ccc(C)[nH+]c1)c1cccnc1 ZINC000186346296 384835909 /nfs/dbraw/zinc/83/59/09/384835909.db2.gz YXRWDSJFCYDVJQ-HNNXBMFYSA-N 1 2 241.338 3.738 20 0 BHADLO CCC[C@@H](Nc1ccc(C)[nH+]c1)c1cccnc1 ZINC000186346312 169403939 /nfs/dbraw/zinc/40/39/39/169403939.db2.gz YXRWDSJFCYDVJQ-OAHLLOKOSA-N 1 2 241.338 3.738 20 0 BHADLO Cc1ccc(CSCc2ccco2)c(C)[nH+]1 ZINC000186349281 387100317 /nfs/dbraw/zinc/10/03/17/387100317.db2.gz MFDAZYDKIXHGDZ-UHFFFAOYSA-N 1 2 233.336 3.725 20 0 BHADLO Cc1ccc(CSc2ccccc2)c(C)[nH+]1 ZINC000186352902 387100934 /nfs/dbraw/zinc/10/09/34/387100934.db2.gz DLAAVQSVFDAUAV-UHFFFAOYSA-N 1 2 229.348 3.991 20 0 BHADLO Cc1ccc(CSC2CCCC2)c(C)[nH+]1 ZINC000186363718 347231937 /nfs/dbraw/zinc/23/19/37/347231937.db2.gz GNBZCYWPMYBVQP-UHFFFAOYSA-N 1 2 221.369 3.874 20 0 BHADLO CSc1ccc(CNc2cc[nH+]cc2F)cc1 ZINC000186425971 398053283 /nfs/dbraw/zinc/05/32/83/398053283.db2.gz GBZTWIQGJKZTSL-UHFFFAOYSA-N 1 2 248.326 3.555 20 0 BHADLO Cc1ccc(COc2ccc(F)cc2F)c(C)[nH+]1 ZINC000186427526 398053635 /nfs/dbraw/zinc/05/36/35/398053635.db2.gz BYEWDGRQIBDKIW-UHFFFAOYSA-N 1 2 249.260 3.556 20 0 BHADLO Cc1ccc(COc2c(F)cccc2F)c(C)[nH+]1 ZINC000186427681 398053761 /nfs/dbraw/zinc/05/37/61/398053761.db2.gz JYTARXPQPXUIPK-UHFFFAOYSA-N 1 2 249.260 3.556 20 0 BHADLO Cc1ccc(CSc2ccc(O)cc2)c(C)[nH+]1 ZINC000186592178 387110750 /nfs/dbraw/zinc/11/07/50/387110750.db2.gz GWROGIDODYCTDG-UHFFFAOYSA-N 1 2 245.347 3.696 20 0 BHADLO Cc1ccc(CSc2ccccc2O)c(C)[nH+]1 ZINC000186601367 387117673 /nfs/dbraw/zinc/11/76/73/387117673.db2.gz DQGDRKOWZICUAR-UHFFFAOYSA-N 1 2 245.347 3.696 20 0 BHADLO Cc1occc1SCc1ccc(C)[nH+]c1C ZINC000186672974 387119339 /nfs/dbraw/zinc/11/93/39/387119339.db2.gz MZAZABWEBWOMKM-UHFFFAOYSA-N 1 2 233.336 3.892 20 0 BHADLO Cc1ccc(CSc2cccc(O)c2)c(C)[nH+]1 ZINC000186698001 387122862 /nfs/dbraw/zinc/12/28/62/387122862.db2.gz JNCGOASBEXBSHM-UHFFFAOYSA-N 1 2 245.347 3.696 20 0 BHADLO Cc1ccc(C)c(NCc2ccc(C)[nH+]c2C)c1 ZINC000187702969 347263356 /nfs/dbraw/zinc/26/33/56/347263356.db2.gz QWWBUEUPECDBCI-UHFFFAOYSA-N 1 2 240.350 3.927 20 0 BHADLO Cc1ccc(CNc2ccccc2C)c(C)[nH+]1 ZINC000187703227 387232321 /nfs/dbraw/zinc/23/23/21/387232321.db2.gz PUCSBCWXULSLJE-UHFFFAOYSA-N 1 2 226.323 3.619 20 0 BHADLO Cc1ccc(CNc2cccc(C)c2C)c(C)[nH+]1 ZINC000187703335 387231021 /nfs/dbraw/zinc/23/10/21/387231021.db2.gz SVRSBGURPMEULV-UHFFFAOYSA-N 1 2 240.350 3.927 20 0 BHADLO Cc1ccc(NCc2ccc(C)[nH+]c2C)c(C)c1 ZINC000187703360 387230724 /nfs/dbraw/zinc/23/07/24/387230724.db2.gz IQJNWHSQVUXYBI-UHFFFAOYSA-N 1 2 240.350 3.927 20 0 BHADLO Cc1ccc(CNc2ccccc2Cl)c(C)[nH+]1 ZINC000187703496 387231954 /nfs/dbraw/zinc/23/19/54/387231954.db2.gz BRVPHGIVTJRHMZ-UHFFFAOYSA-N 1 2 246.741 3.964 20 0 BHADLO Cc1ccc(CNc2cccc(Cl)c2)c(C)[nH+]1 ZINC000187703544 387231438 /nfs/dbraw/zinc/23/14/38/387231438.db2.gz OEWVFCNDXSVNPG-UHFFFAOYSA-N 1 2 246.741 3.964 20 0 BHADLO Cc1ccc(CNc2ccc(Cl)cc2)c(C)[nH+]1 ZINC000187703662 387230689 /nfs/dbraw/zinc/23/06/89/387230689.db2.gz JEIIHVDAOFGXHE-UHFFFAOYSA-N 1 2 246.741 3.964 20 0 BHADLO Cc1ccc(CNc2cc(F)ccc2C)c(C)[nH+]1 ZINC000187704225 387231354 /nfs/dbraw/zinc/23/13/54/387231354.db2.gz FTDKENOIJZHKRR-UHFFFAOYSA-N 1 2 244.313 3.758 20 0 BHADLO Cc1ccc(CNc2ccc(C)c(F)c2)c(C)[nH+]1 ZINC000187704394 387231277 /nfs/dbraw/zinc/23/12/77/387231277.db2.gz STXWKINFOVFHPM-UHFFFAOYSA-N 1 2 244.313 3.758 20 0 BHADLO Cc1ccc(NCc2ccc(C)[nH+]c2C)c(F)c1 ZINC000187704657 387232652 /nfs/dbraw/zinc/23/26/52/387232652.db2.gz CFXLSZFTJKCIBS-UHFFFAOYSA-N 1 2 244.313 3.758 20 0 BHADLO CCc1ccccc1NCc1ccc(C)[nH+]c1C ZINC000187705565 387230595 /nfs/dbraw/zinc/23/05/95/387230595.db2.gz SFNYLUALJSPOSX-UHFFFAOYSA-N 1 2 240.350 3.873 20 0 BHADLO Cc1ccc(CNc2ccc(F)cc2C)c(C)[nH+]1 ZINC000187705697 387232173 /nfs/dbraw/zinc/23/21/73/387232173.db2.gz HWMWBTYBHIXZJN-UHFFFAOYSA-N 1 2 244.313 3.758 20 0 BHADLO Cc1ccc(CNc2cc(F)cc(F)c2)c(C)[nH+]1 ZINC000187706737 387232781 /nfs/dbraw/zinc/23/27/81/387232781.db2.gz QYVYWORGVPCACW-UHFFFAOYSA-N 1 2 248.276 3.589 20 0 BHADLO Cc1ccc(CNc2cc(F)ccc2F)c(C)[nH+]1 ZINC000187707036 387232040 /nfs/dbraw/zinc/23/20/40/387232040.db2.gz HKUPUACSXZRBDX-UHFFFAOYSA-N 1 2 248.276 3.589 20 0 BHADLO Cc1ccc(CNc2c(C)cccc2C)c(C)[nH+]1 ZINC000187707697 387231159 /nfs/dbraw/zinc/23/11/59/387231159.db2.gz RSZDAGGITWVRBY-UHFFFAOYSA-N 1 2 240.350 3.927 20 0 BHADLO Cc1ccc(CNc2c(F)cccc2F)c(C)[nH+]1 ZINC000187708106 387231941 /nfs/dbraw/zinc/23/19/41/387231941.db2.gz PUJAJDZIIVQXGW-UHFFFAOYSA-N 1 2 248.276 3.589 20 0 BHADLO Cc1ccc(CNc2ccc(F)c(F)c2)c(C)[nH+]1 ZINC000187708159 387232375 /nfs/dbraw/zinc/23/23/75/387232375.db2.gz WPIHUUNYBWFLIF-UHFFFAOYSA-N 1 2 248.276 3.589 20 0 BHADLO CCc1ccc(NCc2ccc(C)[nH+]c2C)cc1 ZINC000187708617 387230803 /nfs/dbraw/zinc/23/08/03/387230803.db2.gz PIFRZWJDJJTILO-UHFFFAOYSA-N 1 2 240.350 3.873 20 0 BHADLO Cc1cccc(NCc2ccc(C)[nH+]c2C)c1 ZINC000187708698 387232546 /nfs/dbraw/zinc/23/25/46/387232546.db2.gz SVGIAYXUWVHLIR-UHFFFAOYSA-N 1 2 226.323 3.619 20 0 BHADLO Cc1ccc(CNc2ccc(C)c(C)c2)c(C)[nH+]1 ZINC000187708766 387232055 /nfs/dbraw/zinc/23/20/55/387232055.db2.gz GYVDBXLQSQXNCF-UHFFFAOYSA-N 1 2 240.350 3.927 20 0 BHADLO Cc1ccc(NCc2ccc(C)[nH+]c2C)cc1 ZINC000187708858 387230561 /nfs/dbraw/zinc/23/05/61/387230561.db2.gz XDNZXSCXJYLXDQ-UHFFFAOYSA-N 1 2 226.323 3.619 20 0 BHADLO Cc1cc(C)cc(NCc2ccc(C)[nH+]c2C)c1 ZINC000187710254 387230764 /nfs/dbraw/zinc/23/07/64/387230764.db2.gz UUCDBKZKFRPGCX-UHFFFAOYSA-N 1 2 240.350 3.927 20 0 BHADLO CC[C@H]1CC[C@H](C(=O)Nc2cc[nH+]cc2C)CC1 ZINC000188602113 171032460 /nfs/dbraw/zinc/03/24/60/171032460.db2.gz CNGFBIBDKVQLGL-BETUJISGSA-N 1 2 246.354 3.545 20 0 BHADLO Cc1ccc(N[C@@H]2CCC23CCCC3)c[nH+]1 ZINC000189201424 385952787 /nfs/dbraw/zinc/95/27/87/385952787.db2.gz HOKZPPBKWLBDCW-CYBMUJFWSA-N 1 2 216.328 3.525 20 0 BHADLO Cc1ccc(N[C@H]2CCC23CCCC3)c[nH+]1 ZINC000189201448 385950994 /nfs/dbraw/zinc/95/09/94/385950994.db2.gz HOKZPPBKWLBDCW-ZDUSSCGKSA-N 1 2 216.328 3.525 20 0 BHADLO Cc1ccc2cc(CNc3cccc[nH+]3)ccc2n1 ZINC000189267005 385979689 /nfs/dbraw/zinc/97/96/89/385979689.db2.gz QGZMDCHSPNURTI-UHFFFAOYSA-N 1 2 249.317 3.550 20 0 BHADLO CC(C)[C@@H](C)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000191452970 388662661 /nfs/dbraw/zinc/66/26/61/388662661.db2.gz ZXINOVIZEIYKQG-GFCCVEGCSA-N 1 2 243.354 3.544 20 0 BHADLO CC(C)[C@H](C)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000191452987 388663444 /nfs/dbraw/zinc/66/34/44/388663444.db2.gz ZXINOVIZEIYKQG-LBPRGKRZSA-N 1 2 243.354 3.544 20 0 BHADLO CCC(CC)(CC)SCCn1cc[nH+]c1 ZINC000191930567 168318656 /nfs/dbraw/zinc/31/86/56/168318656.db2.gz ZESOZHDAZVQNGI-UHFFFAOYSA-N 1 2 226.389 3.585 20 0 BHADLO CCC(CC)(CC)SCCCn1cc[nH+]c1 ZINC000191933545 634224056 /nfs/dbraw/zinc/22/40/56/634224056.db2.gz OKTCXFOEUGUJJL-UHFFFAOYSA-N 1 2 240.416 3.975 20 0 BHADLO CC(=O)Nc1c2ccccc2[nH+]c(C)c1C(C)C ZINC000191957834 388672132 /nfs/dbraw/zinc/67/21/32/388672132.db2.gz LEMMJZVILXZAMA-UHFFFAOYSA-N 1 2 242.322 3.625 20 0 BHADLO Fc1c[nH+]ccc1NCc1ccc(Cl)s1 ZINC000192149028 205946504 /nfs/dbraw/zinc/94/65/04/205946504.db2.gz IYUWMVKQTOPAGP-UHFFFAOYSA-N 1 2 242.706 3.548 20 0 BHADLO Fc1c[nH+]ccc1NCc1cc2ccccc2o1 ZINC000192149524 357823993 /nfs/dbraw/zinc/82/39/93/357823993.db2.gz VJIXXDBQACJHRO-UHFFFAOYSA-N 1 2 242.253 3.579 20 0 BHADLO Fc1c[nH+]ccc1NCc1coc2ccccc12 ZINC000192149961 357824562 /nfs/dbraw/zinc/82/45/62/357824562.db2.gz CUDNZRIYBCPANP-UHFFFAOYSA-N 1 2 242.253 3.579 20 0 BHADLO CSCCCOc1cc(C)[nH+]c2ccccc21 ZINC000192191606 357825999 /nfs/dbraw/zinc/82/59/99/357825999.db2.gz YZVIGUVMYGJHDU-UHFFFAOYSA-N 1 2 247.363 3.675 20 0 BHADLO Cc1ccc2[nH+]c(CSC3CCCC3)cn2c1 ZINC000192456430 398138160 /nfs/dbraw/zinc/13/81/60/398138160.db2.gz SHSRJPMEHYJPSE-UHFFFAOYSA-N 1 2 246.379 3.819 20 0 BHADLO Cc1ccc(NCc2sccc2Cl)c[nH+]1 ZINC000192750504 387529700 /nfs/dbraw/zinc/52/97/00/387529700.db2.gz ZGASTQXMLQYUBH-UHFFFAOYSA-N 1 2 238.743 3.717 20 0 BHADLO Cc1c[nH+]cc(NCc2cc(Cl)cs2)c1 ZINC000192753077 387530201 /nfs/dbraw/zinc/53/02/01/387530201.db2.gz ZRWSOJHQGHALSW-UHFFFAOYSA-N 1 2 238.743 3.717 20 0 BHADLO Cc1cc[nH+]cc1NCc1sccc1Cl ZINC000192756488 387529983 /nfs/dbraw/zinc/52/99/83/387529983.db2.gz UZVKQASDSSZRTD-UHFFFAOYSA-N 1 2 238.743 3.717 20 0 BHADLO Fc1c[nH+]ccc1NCc1cc(Cl)cs1 ZINC000192757856 387337552 /nfs/dbraw/zinc/33/75/52/387337552.db2.gz KBYOKYCSTLOPQN-UHFFFAOYSA-N 1 2 242.706 3.548 20 0 BHADLO Fc1c[nH+]ccc1NCc1sccc1Cl ZINC000192757876 387529872 /nfs/dbraw/zinc/52/98/72/387529872.db2.gz CPSOZEPJNAPNKO-UHFFFAOYSA-N 1 2 242.706 3.548 20 0 BHADLO Cc1ccccc1[C@@H](C)[N@@H+](C)Cc1cscn1 ZINC000193426220 367175709 /nfs/dbraw/zinc/17/57/09/367175709.db2.gz RETSMWATJRFEPJ-GFCCVEGCSA-N 1 2 246.379 3.645 20 0 BHADLO Cc1ccccc1[C@@H](C)[N@H+](C)Cc1cscn1 ZINC000193426220 367175706 /nfs/dbraw/zinc/17/57/06/367175706.db2.gz RETSMWATJRFEPJ-GFCCVEGCSA-N 1 2 246.379 3.645 20 0 BHADLO Cc1ccccc1[C@H](C)[N@@H+](C)Cc1cscn1 ZINC000193426233 367175809 /nfs/dbraw/zinc/17/58/09/367175809.db2.gz RETSMWATJRFEPJ-LBPRGKRZSA-N 1 2 246.379 3.645 20 0 BHADLO Cc1ccccc1[C@H](C)[N@H+](C)Cc1cscn1 ZINC000193426233 367175805 /nfs/dbraw/zinc/17/58/05/367175805.db2.gz RETSMWATJRFEPJ-LBPRGKRZSA-N 1 2 246.379 3.645 20 0 BHADLO CCCC[NH2+]c1ccc(SC)cc1OC ZINC000193498955 387590079 /nfs/dbraw/zinc/59/00/79/387590079.db2.gz FSONXQJIZHPENI-UHFFFAOYSA-N 1 2 225.357 3.629 20 0 BHADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1CCCCC1(C)C ZINC000194063346 385422955 /nfs/dbraw/zinc/42/29/55/385422955.db2.gz KFNBAFHSUHPYTJ-LBPRGKRZSA-N 1 2 246.354 3.545 20 0 BHADLO Cc1c[nH+]ccc1NC(=O)[C@H]1CCCCC1(C)C ZINC000194063366 385422965 /nfs/dbraw/zinc/42/29/65/385422965.db2.gz KFNBAFHSUHPYTJ-GFCCVEGCSA-N 1 2 246.354 3.545 20 0 BHADLO C[N@@H+](Cc1ccco1)Cc1sccc1Cl ZINC000194309015 385429237 /nfs/dbraw/zinc/42/92/37/385429237.db2.gz ORMFWPIPKVJQBK-UHFFFAOYSA-N 1 2 241.743 3.627 20 0 BHADLO C[N@H+](Cc1ccco1)Cc1sccc1Cl ZINC000194309015 385429230 /nfs/dbraw/zinc/42/92/30/385429230.db2.gz ORMFWPIPKVJQBK-UHFFFAOYSA-N 1 2 241.743 3.627 20 0 BHADLO Clc1ccsc1C[NH+]1Cc2ccccc2C1 ZINC000194382131 388730971 /nfs/dbraw/zinc/73/09/71/388730971.db2.gz FEFHCTLFPHOJTM-UHFFFAOYSA-N 1 2 249.766 3.917 20 0 BHADLO Clc1csc(C[NH+]2Cc3ccccc3C2)c1 ZINC000194382147 388730562 /nfs/dbraw/zinc/73/05/62/388730562.db2.gz PQPMMEUORXMLHC-UHFFFAOYSA-N 1 2 249.766 3.917 20 0 BHADLO CC[N@@H+](CC[C@@H](C)c1ccccc1)CC(F)F ZINC000194669063 206105004 /nfs/dbraw/zinc/10/50/04/206105004.db2.gz GDAZXGDLFSAJSS-GFCCVEGCSA-N 1 2 241.325 3.767 20 0 BHADLO CC[N@H+](CC[C@@H](C)c1ccccc1)CC(F)F ZINC000194669063 206105001 /nfs/dbraw/zinc/10/50/01/206105001.db2.gz GDAZXGDLFSAJSS-GFCCVEGCSA-N 1 2 241.325 3.767 20 0 BHADLO CC[N@@H+](CC[C@H](C)c1ccccc1)CC(F)F ZINC000194669086 206104572 /nfs/dbraw/zinc/10/45/72/206104572.db2.gz GDAZXGDLFSAJSS-LBPRGKRZSA-N 1 2 241.325 3.767 20 0 BHADLO CC[N@H+](CC[C@H](C)c1ccccc1)CC(F)F ZINC000194669086 206104570 /nfs/dbraw/zinc/10/45/70/206104570.db2.gz GDAZXGDLFSAJSS-LBPRGKRZSA-N 1 2 241.325 3.767 20 0 BHADLO CCC[C@@H](C)CC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000195226900 541470001 /nfs/dbraw/zinc/47/00/01/541470001.db2.gz RLNUZHVJRTZODN-SNVBAGLBSA-N 1 2 248.370 3.772 20 0 BHADLO CCC[C@H](C)CC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000195226913 388701658 /nfs/dbraw/zinc/70/16/58/388701658.db2.gz RLNUZHVJRTZODN-JTQLQIEISA-N 1 2 248.370 3.772 20 0 BHADLO Cc1ccc(CNc2cccc[nH+]2)cc1Cl ZINC000195438130 388164189 /nfs/dbraw/zinc/16/41/89/388164189.db2.gz YFVVXIWPZGPTJK-UHFFFAOYSA-N 1 2 232.714 3.656 20 0 BHADLO CCC(CC)(CC)SCc1cc[nH+]c(N)c1 ZINC000195502842 712730582 /nfs/dbraw/zinc/73/05/82/712730582.db2.gz WYZORIMYZHNFRC-UHFFFAOYSA-N 1 2 238.400 3.866 20 0 BHADLO c1ccc2cc(CCOc3cc[nH+]cc3)ccc2c1 ZINC000198782913 345727627 /nfs/dbraw/zinc/72/76/27/345727627.db2.gz RNSNCVPSLRXDJI-UHFFFAOYSA-N 1 2 249.313 3.856 20 0 BHADLO Cc1c[nH+]ccc1NC(=O)C[C@@H](C)CC(C)(C)C ZINC000199746556 349284694 /nfs/dbraw/zinc/28/46/94/349284694.db2.gz SYXGNTGAUXNTPZ-LLVKDONJSA-N 1 2 248.370 3.791 20 0 BHADLO Cc1c[nH+]ccc1NC(=O)C[C@H](C)CC(C)(C)C ZINC000199746572 349284714 /nfs/dbraw/zinc/28/47/14/349284714.db2.gz SYXGNTGAUXNTPZ-NSHDSACASA-N 1 2 248.370 3.791 20 0 BHADLO CCCCCCNc1cc(C)[nH+]c(C2CC2)n1 ZINC000202457598 589174025 /nfs/dbraw/zinc/17/40/25/589174025.db2.gz MTRRDFLMSYALBM-UHFFFAOYSA-N 1 2 233.359 3.655 20 0 BHADLO Cc1cc(N[C@@H](C)CC(C)C)nc(C2CC2)[nH+]1 ZINC000202459848 343135867 /nfs/dbraw/zinc/13/58/67/343135867.db2.gz XHCDKRGFLPMGFC-JTQLQIEISA-N 1 2 233.359 3.509 20 0 BHADLO Cc1cc(N[C@H](C)CC(C)C)nc(C2CC2)[nH+]1 ZINC000202459869 348020093 /nfs/dbraw/zinc/02/00/93/348020093.db2.gz XHCDKRGFLPMGFC-SNVBAGLBSA-N 1 2 233.359 3.509 20 0 BHADLO Cc1[nH]cc(-c2ccc(C(C)C)cc2)[nH+]1 ZINC000204783192 589373952 /nfs/dbraw/zinc/37/39/52/589373952.db2.gz OGUDJCLWYRPAJS-UHFFFAOYSA-N 1 2 200.285 3.509 20 0 BHADLO c1cn(Cc2ccc(-c3ccsc3)cc2)c[nH+]1 ZINC000205318205 363083716 /nfs/dbraw/zinc/08/37/16/363083716.db2.gz PRPFZUVPVMWBBA-UHFFFAOYSA-N 1 2 240.331 3.660 20 0 BHADLO Cc1ccc(N[C@@H]2CCc3c2cccc3F)c[nH+]1 ZINC000214561037 358875384 /nfs/dbraw/zinc/87/53/84/358875384.db2.gz VJVPWSVFMWJFAR-OAHLLOKOSA-N 1 2 242.297 3.629 20 0 BHADLO Cc1ccc(N[C@H]2CCc3c2cccc3F)c[nH+]1 ZINC000214561090 358875822 /nfs/dbraw/zinc/87/58/22/358875822.db2.gz VJVPWSVFMWJFAR-HNNXBMFYSA-N 1 2 242.297 3.629 20 0 BHADLO Cc1ccc(NCc2c(C)cccc2C)c(C)[nH+]1 ZINC000215820435 386833432 /nfs/dbraw/zinc/83/34/32/386833432.db2.gz PBKSOYMUNXUZON-UHFFFAOYSA-N 1 2 240.350 3.927 20 0 BHADLO CCCCSCc1cn2c(cccc2C)[nH+]1 ZINC000218924537 134269007 /nfs/dbraw/zinc/26/90/07/134269007.db2.gz ZRZXSLHESYSZEF-UHFFFAOYSA-N 1 2 234.368 3.676 20 0 BHADLO Cc1cccc2[nH+]c(CSCC(C)C)cn21 ZINC000218932763 350108192 /nfs/dbraw/zinc/10/81/92/350108192.db2.gz VESXJCAWLKXZCH-UHFFFAOYSA-N 1 2 234.368 3.532 20 0 BHADLO Cc1c[nH+]cc(N[C@@H](C)Cc2ccccc2F)c1 ZINC000219228318 388589260 /nfs/dbraw/zinc/58/92/60/388589260.db2.gz WAKSEQLLIBCYIE-LBPRGKRZSA-N 1 2 244.313 3.572 20 0 BHADLO Cc1c[nH+]cc(N[C@H](C)Cc2ccccc2F)c1 ZINC000219228401 388589115 /nfs/dbraw/zinc/58/91/15/388589115.db2.gz WAKSEQLLIBCYIE-GFCCVEGCSA-N 1 2 244.313 3.572 20 0 BHADLO CCCCSCc1cn2cccc(C)c2[nH+]1 ZINC000219370836 256857623 /nfs/dbraw/zinc/85/76/23/256857623.db2.gz XEOHOOCLFTUWFR-UHFFFAOYSA-N 1 2 234.368 3.676 20 0 BHADLO Cc1c[nH+]cc(NCC[C@@H](C)c2ccccc2)c1 ZINC000219439851 388591729 /nfs/dbraw/zinc/59/17/29/388591729.db2.gz NGXYQYRKTQSTFD-CQSZACIVSA-N 1 2 240.350 3.996 20 0 BHADLO Cc1c[nH+]cc(NCC[C@H](C)c2ccccc2)c1 ZINC000219439933 388592378 /nfs/dbraw/zinc/59/23/78/388592378.db2.gz NGXYQYRKTQSTFD-AWEZNQCLSA-N 1 2 240.350 3.996 20 0 BHADLO Cc1c[nH+]cc(NC[C@@H](C)c2ccccc2)c1 ZINC000219440029 388592213 /nfs/dbraw/zinc/59/22/13/388592213.db2.gz XNWIOSDRNAPFSO-CYBMUJFWSA-N 1 2 226.323 3.606 20 0 BHADLO Cc1c[nH+]cc(NC[C@H](C)c2ccccc2)c1 ZINC000219440099 256858344 /nfs/dbraw/zinc/85/83/44/256858344.db2.gz XNWIOSDRNAPFSO-ZDUSSCGKSA-N 1 2 226.323 3.606 20 0 BHADLO CCCC[C@@H](CC)CNc1cccc[nH+]1 ZINC000220565163 388606594 /nfs/dbraw/zinc/60/65/94/388606594.db2.gz GQDWWQBAPQOPMR-GFCCVEGCSA-N 1 2 206.333 3.710 20 0 BHADLO CCCC[C@H](CC)CNc1cccc[nH+]1 ZINC000220565226 388606127 /nfs/dbraw/zinc/60/61/27/388606127.db2.gz GQDWWQBAPQOPMR-LBPRGKRZSA-N 1 2 206.333 3.710 20 0 BHADLO Cc1cnc([C@@H](C)[NH2+][C@@H](C)c2ccc(F)cc2)o1 ZINC000220884949 134316748 /nfs/dbraw/zinc/31/67/48/134316748.db2.gz ZFRXROYCDVVZSU-WDEREUQCSA-N 1 2 248.301 3.534 20 0 BHADLO Cc1cnc([C@H](C)[NH2+][C@@H](C)c2ccc(F)cc2)o1 ZINC000220885006 134316738 /nfs/dbraw/zinc/31/67/38/134316738.db2.gz ZFRXROYCDVVZSU-QWRGUYRKSA-N 1 2 248.301 3.534 20 0 BHADLO Cc1cnc([C@@H](C)[NH2+][C@H](C)c2ccc(F)cc2)o1 ZINC000220885069 134316394 /nfs/dbraw/zinc/31/63/94/134316394.db2.gz ZFRXROYCDVVZSU-GHMZBOCLSA-N 1 2 248.301 3.534 20 0 BHADLO Cc1cnc([C@H](C)[NH2+][C@H](C)c2ccc(F)cc2)o1 ZINC000220885134 134316643 /nfs/dbraw/zinc/31/66/43/134316643.db2.gz ZFRXROYCDVVZSU-MNOVXSKESA-N 1 2 248.301 3.534 20 0 BHADLO Cc1cnc([C@@H](C)[NH2+][C@@H](C)c2ccccc2F)o1 ZINC000220888461 134313070 /nfs/dbraw/zinc/31/30/70/134313070.db2.gz KLBCFJFEYFMMOJ-WDEREUQCSA-N 1 2 248.301 3.534 20 0 BHADLO Cc1cnc([C@H](C)[NH2+][C@@H](C)c2ccccc2F)o1 ZINC000220888528 134313359 /nfs/dbraw/zinc/31/33/59/134313359.db2.gz KLBCFJFEYFMMOJ-QWRGUYRKSA-N 1 2 248.301 3.534 20 0 BHADLO Cc1cnc([C@@H](C)[NH2+][C@H](C)c2ccccc2F)o1 ZINC000220888601 134313403 /nfs/dbraw/zinc/31/34/03/134313403.db2.gz KLBCFJFEYFMMOJ-GHMZBOCLSA-N 1 2 248.301 3.534 20 0 BHADLO Cc1cnc([C@H](C)[NH2+][C@H](C)c2ccccc2F)o1 ZINC000220888671 134313430 /nfs/dbraw/zinc/31/34/30/134313430.db2.gz KLBCFJFEYFMMOJ-MNOVXSKESA-N 1 2 248.301 3.534 20 0 BHADLO Cc1cnc([C@@H](C)[NH2+][C@@H](C)c2ccc(C)cc2)o1 ZINC000220912752 134315352 /nfs/dbraw/zinc/31/53/52/134315352.db2.gz KSFZAFJFFLBUMV-QWHCGFSZSA-N 1 2 244.338 3.703 20 0 BHADLO Cc1cnc([C@H](C)[NH2+][C@@H](C)c2ccc(C)cc2)o1 ZINC000220912808 134314934 /nfs/dbraw/zinc/31/49/34/134314934.db2.gz KSFZAFJFFLBUMV-STQMWFEESA-N 1 2 244.338 3.703 20 0 BHADLO Cc1cnc([C@@H](C)[NH2+][C@H](C)c2ccc(C)cc2)o1 ZINC000220912861 134315386 /nfs/dbraw/zinc/31/53/86/134315386.db2.gz KSFZAFJFFLBUMV-CHWSQXEVSA-N 1 2 244.338 3.703 20 0 BHADLO Cc1cnc([C@H](C)[NH2+][C@H](C)c2ccc(C)cc2)o1 ZINC000220912928 134315117 /nfs/dbraw/zinc/31/51/17/134315117.db2.gz KSFZAFJFFLBUMV-OLZOCXBDSA-N 1 2 244.338 3.703 20 0 BHADLO CC[C@H](Nc1ccc(OC)c[nH+]1)c1ccccc1 ZINC000223798266 491140071 /nfs/dbraw/zinc/14/00/71/491140071.db2.gz IAEOARREVHVWEB-AWEZNQCLSA-N 1 2 242.322 3.653 20 0 BHADLO CC[C@@H](Nc1ccc(OC)c[nH+]1)c1ccccc1 ZINC000223798304 491140059 /nfs/dbraw/zinc/14/00/59/491140059.db2.gz IAEOARREVHVWEB-CQSZACIVSA-N 1 2 242.322 3.653 20 0 BHADLO Cc1cc2ccccc2[nH+]c1NCC1(C)CC1 ZINC000225360423 388721530 /nfs/dbraw/zinc/72/15/30/388721530.db2.gz BEYRGKZKOZYMGH-UHFFFAOYSA-N 1 2 226.323 3.755 20 0 BHADLO CCC[C@@H](CC)[NH2+]c1ccc(OC)cc1OC ZINC000225618218 635412700 /nfs/dbraw/zinc/41/27/00/635412700.db2.gz WMWNIGJOBVJHFU-LLVKDONJSA-N 1 2 237.343 3.694 20 0 BHADLO CCC[C@H](CC)[NH2+]c1ccc(OC)cc1OC ZINC000225618246 635412068 /nfs/dbraw/zinc/41/20/68/635412068.db2.gz WMWNIGJOBVJHFU-NSHDSACASA-N 1 2 237.343 3.694 20 0 BHADLO Cc1c[nH+]cc(NCc2ccc3cnccc3c2)c1 ZINC000225819297 538114105 /nfs/dbraw/zinc/11/41/05/538114105.db2.gz GEWJPQGDWPSETN-UHFFFAOYSA-N 1 2 249.317 3.550 20 0 BHADLO CC[C@@H](Nc1ccc(OC)c[nH+]1)c1cccs1 ZINC000225833312 566330949 /nfs/dbraw/zinc/33/09/49/566330949.db2.gz LHFDTJJHYOMPMO-LLVKDONJSA-N 1 2 248.351 3.715 20 0 BHADLO CC[C@H](Nc1ccc(OC)c[nH+]1)c1cccs1 ZINC000225833329 491096872 /nfs/dbraw/zinc/09/68/72/491096872.db2.gz LHFDTJJHYOMPMO-NSHDSACASA-N 1 2 248.351 3.715 20 0 BHADLO COc1ccc(N[C@@H](C)c2ccccc2C)[nH+]c1 ZINC000225833932 491096977 /nfs/dbraw/zinc/09/69/77/491096977.db2.gz QYZTVKBNHXOASS-LBPRGKRZSA-N 1 2 242.322 3.572 20 0 BHADLO COc1ccc(N[C@H](C)c2ccccc2C)[nH+]c1 ZINC000225833962 491096949 /nfs/dbraw/zinc/09/69/49/491096949.db2.gz QYZTVKBNHXOASS-GFCCVEGCSA-N 1 2 242.322 3.572 20 0 BHADLO COc1ccc(N[C@@H](C)c2ccc(C)s2)[nH+]c1 ZINC000225835209 538114250 /nfs/dbraw/zinc/11/42/50/538114250.db2.gz KWDNHMNSYDOTOF-JTQLQIEISA-N 1 2 248.351 3.633 20 0 BHADLO COc1ccc(N[C@H](C)c2ccc(C)s2)[nH+]c1 ZINC000225835230 538114278 /nfs/dbraw/zinc/11/42/78/538114278.db2.gz KWDNHMNSYDOTOF-SNVBAGLBSA-N 1 2 248.351 3.633 20 0 BHADLO COc1ccc(N[C@@H](C)c2ccc(C)cc2)[nH+]c1 ZINC000225835987 538114288 /nfs/dbraw/zinc/11/42/88/538114288.db2.gz GFNJSUCJJCZPOB-LBPRGKRZSA-N 1 2 242.322 3.572 20 0 BHADLO COc1ccc(N[C@H](C)c2ccc(C)cc2)[nH+]c1 ZINC000225836003 538114351 /nfs/dbraw/zinc/11/43/51/538114351.db2.gz GFNJSUCJJCZPOB-GFCCVEGCSA-N 1 2 242.322 3.572 20 0 BHADLO CCC[C@@H](CC)Nc1ccc(N2CCCC2)[nH+]c1 ZINC000225846296 388691725 /nfs/dbraw/zinc/69/17/25/388691725.db2.gz HBKTVZOXPOPJTE-CYBMUJFWSA-N 1 2 247.386 3.672 20 0 BHADLO CCC[C@H](CC)Nc1ccc(N2CCCC2)[nH+]c1 ZINC000225846314 397845482 /nfs/dbraw/zinc/84/54/82/397845482.db2.gz HBKTVZOXPOPJTE-ZDUSSCGKSA-N 1 2 247.386 3.672 20 0 BHADLO CCCC[C@@H](CCC)Nc1cc[nH+]c(C)n1 ZINC000226261691 134362588 /nfs/dbraw/zinc/36/25/88/134362588.db2.gz PSPPXAJEMJLFFD-GFCCVEGCSA-N 1 2 221.348 3.556 20 0 BHADLO CCCC[C@H](CCC)Nc1cc[nH+]c(C)n1 ZINC000226261698 134362586 /nfs/dbraw/zinc/36/25/86/134362586.db2.gz PSPPXAJEMJLFFD-LBPRGKRZSA-N 1 2 221.348 3.556 20 0 BHADLO CCCC[C@@H](CCC)Nc1cc(C)[nH+]cn1 ZINC000226261826 345224238 /nfs/dbraw/zinc/22/42/38/345224238.db2.gz JGHVYOVKXDJRBD-GFCCVEGCSA-N 1 2 221.348 3.556 20 0 BHADLO CCCC[C@H](CCC)Nc1cc(C)[nH+]cn1 ZINC000226261835 169002220 /nfs/dbraw/zinc/00/22/20/169002220.db2.gz JGHVYOVKXDJRBD-LBPRGKRZSA-N 1 2 221.348 3.556 20 0 BHADLO Cc1ccc(NCc2cc(F)ccc2C)c(C)[nH+]1 ZINC000226514086 134364034 /nfs/dbraw/zinc/36/40/34/134364034.db2.gz SQTLIQZKVIXIDM-UHFFFAOYSA-N 1 2 244.313 3.758 20 0 BHADLO CC1(C)C[C@@H]1CNc1ccc2ccccc2[nH+]1 ZINC000226531200 385983981 /nfs/dbraw/zinc/98/39/81/385983981.db2.gz DYIDLOMGKHRUJM-GFCCVEGCSA-N 1 2 226.323 3.693 20 0 BHADLO CC1(C)C[C@H]1CNc1ccc2ccccc2[nH+]1 ZINC000226531202 385984858 /nfs/dbraw/zinc/98/48/58/385984858.db2.gz DYIDLOMGKHRUJM-LBPRGKRZSA-N 1 2 226.323 3.693 20 0 BHADLO CC1(C)C[C@@H]1CNc1cc(C(F)(F)F)cc[nH+]1 ZINC000226800793 134369733 /nfs/dbraw/zinc/36/97/33/134369733.db2.gz DXXRJXQHOTZAOI-SECBINFHSA-N 1 2 244.260 3.558 20 0 BHADLO CC1(C)C[C@H]1CNc1cc(C(F)(F)F)cc[nH+]1 ZINC000226800797 134369668 /nfs/dbraw/zinc/36/96/68/134369668.db2.gz DXXRJXQHOTZAOI-VIFPVBQESA-N 1 2 244.260 3.558 20 0 BHADLO CCC1(CNc2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000226807973 385056201 /nfs/dbraw/zinc/05/62/01/385056201.db2.gz GVSRLOWVTCSPMW-UHFFFAOYSA-N 1 2 244.260 3.703 20 0 BHADLO CCC1(CNc2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000226808510 385056097 /nfs/dbraw/zinc/05/60/97/385056097.db2.gz WHNWKRRIEZTSCL-UHFFFAOYSA-N 1 2 233.359 3.511 20 0 BHADLO CC1(CNc2cc(C(F)(F)F)cc[nH+]2)CCC1 ZINC000226809663 168046566 /nfs/dbraw/zinc/04/65/66/168046566.db2.gz OSECMGBTOUOYLO-UHFFFAOYSA-N 1 2 244.260 3.703 20 0 BHADLO Cc1cc(NCC2(C)CCC2)nc(C(C)C)[nH+]1 ZINC000226810161 178156591 /nfs/dbraw/zinc/15/65/91/178156591.db2.gz BDAHEKOJMYSKSJ-UHFFFAOYSA-N 1 2 233.359 3.511 20 0 BHADLO Cc1ccc(F)c(CNc2ccc(C)[nH+]c2C)c1 ZINC000227600932 134387746 /nfs/dbraw/zinc/38/77/46/134387746.db2.gz YMQJLANSIDLZSM-UHFFFAOYSA-N 1 2 244.313 3.758 20 0 BHADLO CCc1ccc(CNc2c[nH+]cc(C)c2)s1 ZINC000227602932 384466903 /nfs/dbraw/zinc/46/69/03/384466903.db2.gz QUWOGLVDACPUIE-UHFFFAOYSA-N 1 2 232.352 3.626 20 0 BHADLO Cc1cc(CNc2c[nH+]cc(C)c2)c(C)s1 ZINC000227603222 322971985 /nfs/dbraw/zinc/97/19/85/322971985.db2.gz GNTKQMSPKMLMOJ-UHFFFAOYSA-N 1 2 232.352 3.680 20 0 BHADLO Cc1c[nH+]cc(NCc2cc(C)c(C)cc2C)c1 ZINC000227603245 388753640 /nfs/dbraw/zinc/75/36/40/388753640.db2.gz PSQVLOVXSIAUJV-UHFFFAOYSA-N 1 2 240.350 3.927 20 0 BHADLO Cc1c[nH+]cc(NCc2cc3ccccc3o2)c1 ZINC000227603257 134387568 /nfs/dbraw/zinc/38/75/68/134387568.db2.gz PNHRRDJIQFNGAL-UHFFFAOYSA-N 1 2 238.290 3.748 20 0 BHADLO CCc1ccc(CNc2c[nH+]cc(C)c2)cc1 ZINC000227603344 387056899 /nfs/dbraw/zinc/05/68/99/387056899.db2.gz CJDSUMXGUOXYSG-UHFFFAOYSA-N 1 2 226.323 3.565 20 0 BHADLO Cc1ccc(C)c(CNc2c[nH+]cc(C)c2)c1 ZINC000227603534 387055979 /nfs/dbraw/zinc/05/59/79/387055979.db2.gz BYVNEERUKIAHJR-UHFFFAOYSA-N 1 2 226.323 3.619 20 0 BHADLO Cc1c[nH+]cc(NCc2c(C)cc(C)cc2C)c1 ZINC000227603611 388754038 /nfs/dbraw/zinc/75/40/38/388754038.db2.gz IPUARCSKAPRCDS-UHFFFAOYSA-N 1 2 240.350 3.927 20 0 BHADLO Cc1c[nH+]cc(NCc2ccc(C)c(C)c2)c1 ZINC000227603618 387056761 /nfs/dbraw/zinc/05/67/61/387056761.db2.gz CSVOLADPWOGHSH-UHFFFAOYSA-N 1 2 226.323 3.619 20 0 BHADLO Cc1c[nH+]cc(NCc2cc(C)cc(C)c2)c1 ZINC000227603663 387056450 /nfs/dbraw/zinc/05/64/50/387056450.db2.gz KMIKGFOIYUBVDA-UHFFFAOYSA-N 1 2 226.323 3.619 20 0 BHADLO Cc1c[nH+]cc(NCc2ccnc3ccccc23)c1 ZINC000227603696 384478124 /nfs/dbraw/zinc/47/81/24/384478124.db2.gz LEWLVQWMTSZHMR-UHFFFAOYSA-N 1 2 249.317 3.550 20 0 BHADLO Cc1ccc(CNc2c[nH+]cc(C)c2)c(C)c1 ZINC000227603957 387056987 /nfs/dbraw/zinc/05/69/87/387056987.db2.gz OVDJUBXTCPDTCX-UHFFFAOYSA-N 1 2 226.323 3.619 20 0 BHADLO CC[C@@H](C)c1ccc(OCc2c[nH+]cn2C)cc1 ZINC000227777835 134393613 /nfs/dbraw/zinc/39/36/13/134393613.db2.gz PCHBBQLACVNZBP-GFCCVEGCSA-N 1 2 244.338 3.513 20 0 BHADLO CC[C@H](C)c1ccc(OCc2c[nH+]cn2C)cc1 ZINC000227777841 134394879 /nfs/dbraw/zinc/39/48/79/134394879.db2.gz PCHBBQLACVNZBP-LBPRGKRZSA-N 1 2 244.338 3.513 20 0 BHADLO FC(F)(C[NH2+]Cc1ccccc1)c1ccccc1 ZINC000227898007 388761288 /nfs/dbraw/zinc/76/12/88/388761288.db2.gz SNMFJQBRIHRYHX-UHFFFAOYSA-N 1 2 247.288 3.568 20 0 BHADLO CSC1(CNc2ccc3ccccc3[nH+]2)CC1 ZINC000227989750 386530388 /nfs/dbraw/zinc/53/03/88/386530388.db2.gz AANBYCMICQOMEH-UHFFFAOYSA-N 1 2 244.363 3.542 20 0 BHADLO C[C@@H]([NH2+][C@@H](C)C(F)F)c1ccc(Cl)cc1 ZINC000228482576 487656810 /nfs/dbraw/zinc/65/68/10/487656810.db2.gz AJRUCDBEASSRPM-SFYZADRCSA-N 1 2 233.689 3.644 20 0 BHADLO C[C@H]([NH2+][C@@H](C)C(F)F)c1ccc(Cl)cc1 ZINC000228482583 487656694 /nfs/dbraw/zinc/65/66/94/487656694.db2.gz AJRUCDBEASSRPM-YUMQZZPRSA-N 1 2 233.689 3.644 20 0 BHADLO C[C@@H]([NH2+][C@H](C)C(F)F)c1ccc(Cl)cc1 ZINC000228482590 487656880 /nfs/dbraw/zinc/65/68/80/487656880.db2.gz AJRUCDBEASSRPM-HTQZYQBOSA-N 1 2 233.689 3.644 20 0 BHADLO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1)C(F)F ZINC000228482595 487656710 /nfs/dbraw/zinc/65/67/10/487656710.db2.gz AJRUCDBEASSRPM-JGVFFNPUSA-N 1 2 233.689 3.644 20 0 BHADLO C[C@@H]([NH2+][C@@H](C)C(F)F)c1cccc(Cl)c1 ZINC000228482947 487656840 /nfs/dbraw/zinc/65/68/40/487656840.db2.gz JWNKOVWQYIBLIK-SFYZADRCSA-N 1 2 233.689 3.644 20 0 BHADLO C[C@H]([NH2+][C@@H](C)C(F)F)c1cccc(Cl)c1 ZINC000228482955 487656702 /nfs/dbraw/zinc/65/67/02/487656702.db2.gz JWNKOVWQYIBLIK-YUMQZZPRSA-N 1 2 233.689 3.644 20 0 BHADLO C[C@@H]([NH2+][C@H](C)C(F)F)c1cccc(Cl)c1 ZINC000228482958 487656901 /nfs/dbraw/zinc/65/69/01/487656901.db2.gz JWNKOVWQYIBLIK-HTQZYQBOSA-N 1 2 233.689 3.644 20 0 BHADLO C[C@@H]([NH2+][C@@H](C)c1cccc(Cl)c1)C(F)F ZINC000228482967 487656717 /nfs/dbraw/zinc/65/67/17/487656717.db2.gz JWNKOVWQYIBLIK-JGVFFNPUSA-N 1 2 233.689 3.644 20 0 BHADLO Cc1c[nH+]cc(NCc2cccc3cnccc32)c1 ZINC000228491878 491095438 /nfs/dbraw/zinc/09/54/38/491095438.db2.gz RTKDIOUTAYVXGJ-UHFFFAOYSA-N 1 2 249.317 3.550 20 0 BHADLO CCc1ccc([C@@H](C)[NH2+][C@@H](C)C(F)F)cc1 ZINC000228491911 491095445 /nfs/dbraw/zinc/09/54/45/491095445.db2.gz DSRODMYISJROEX-ZJUUUORDSA-N 1 2 227.298 3.553 20 0 BHADLO CCc1ccc([C@H](C)[NH2+][C@@H](C)C(F)F)cc1 ZINC000228491919 491095409 /nfs/dbraw/zinc/09/54/09/491095409.db2.gz DSRODMYISJROEX-UWVGGRQHSA-N 1 2 227.298 3.553 20 0 BHADLO CCc1ccc([C@@H](C)[NH2+][C@H](C)C(F)F)cc1 ZINC000228491923 491095486 /nfs/dbraw/zinc/09/54/86/491095486.db2.gz DSRODMYISJROEX-NXEZZACHSA-N 1 2 227.298 3.553 20 0 BHADLO CCc1ccc([C@H](C)[NH2+][C@H](C)C(F)F)cc1 ZINC000228491926 491095428 /nfs/dbraw/zinc/09/54/28/491095428.db2.gz DSRODMYISJROEX-VHSXEESVSA-N 1 2 227.298 3.553 20 0 BHADLO C[C@@H]([NH2+][C@@H](C)C(F)F)c1ccc(Cl)s1 ZINC000228493655 488012954 /nfs/dbraw/zinc/01/29/54/488012954.db2.gz NDDILIIPEKOOTL-RITPCOANSA-N 1 2 239.718 3.706 20 0 BHADLO C[C@H]([NH2+][C@@H](C)C(F)F)c1ccc(Cl)s1 ZINC000228493663 488012837 /nfs/dbraw/zinc/01/28/37/488012837.db2.gz NDDILIIPEKOOTL-WDSKDSINSA-N 1 2 239.718 3.706 20 0 BHADLO C[C@@H]([NH2+][C@H](C)C(F)F)c1ccc(Cl)s1 ZINC000228493669 487662786 /nfs/dbraw/zinc/66/27/86/487662786.db2.gz NDDILIIPEKOOTL-PHDIDXHHSA-N 1 2 239.718 3.706 20 0 BHADLO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)s1)C(F)F ZINC000228493676 487662970 /nfs/dbraw/zinc/66/29/70/487662970.db2.gz NDDILIIPEKOOTL-NTSWFWBYSA-N 1 2 239.718 3.706 20 0 BHADLO CSc1ccc([C@@H](C)[NH2+][C@@H](C)C(F)F)cc1 ZINC000228493828 487663257 /nfs/dbraw/zinc/66/32/57/487663257.db2.gz FHDWSJRFHMSBJN-BDAKNGLRSA-N 1 2 245.338 3.713 20 0 BHADLO CSc1ccc([C@H](C)[NH2+][C@@H](C)C(F)F)cc1 ZINC000228493834 487662773 /nfs/dbraw/zinc/66/27/73/487662773.db2.gz FHDWSJRFHMSBJN-IUCAKERBSA-N 1 2 245.338 3.713 20 0 BHADLO CSc1ccc([C@@H](C)[NH2+][C@H](C)C(F)F)cc1 ZINC000228493843 487662921 /nfs/dbraw/zinc/66/29/21/487662921.db2.gz FHDWSJRFHMSBJN-RKDXNWHRSA-N 1 2 245.338 3.713 20 0 BHADLO CSc1ccc([C@H](C)[NH2+][C@H](C)C(F)F)cc1 ZINC000228493850 487662574 /nfs/dbraw/zinc/66/25/74/487662574.db2.gz FHDWSJRFHMSBJN-DTWKUNHWSA-N 1 2 245.338 3.713 20 0 BHADLO C[C@@H]([NH2+][C@@H](C)C(F)F)c1cc2ccccc2o1 ZINC000228497631 487665138 /nfs/dbraw/zinc/66/51/38/487665138.db2.gz ZQXVRZJDSIKDAI-BDAKNGLRSA-N 1 2 239.265 3.737 20 0 BHADLO C[C@H]([NH2+][C@@H](C)C(F)F)c1cc2ccccc2o1 ZINC000228497639 487665033 /nfs/dbraw/zinc/66/50/33/487665033.db2.gz ZQXVRZJDSIKDAI-IUCAKERBSA-N 1 2 239.265 3.737 20 0 BHADLO C[C@@H]([NH2+][C@H](C)C(F)F)c1cc2ccccc2o1 ZINC000228497646 487665196 /nfs/dbraw/zinc/66/51/96/487665196.db2.gz ZQXVRZJDSIKDAI-RKDXNWHRSA-N 1 2 239.265 3.737 20 0 BHADLO C[C@@H]([NH2+][C@@H](C)c1cc2ccccc2o1)C(F)F ZINC000228497653 487665128 /nfs/dbraw/zinc/66/51/28/487665128.db2.gz ZQXVRZJDSIKDAI-DTWKUNHWSA-N 1 2 239.265 3.737 20 0 BHADLO Cc1cc([C@@H](C)[NH2+][C@@H](C)C(F)F)c(C)s1 ZINC000228501530 711767245 /nfs/dbraw/zinc/76/72/45/711767245.db2.gz BEDBUKCBTDSCLV-SFYZADRCSA-N 1 2 233.327 3.669 20 0 BHADLO Cc1cc([C@H](C)[NH2+][C@@H](C)C(F)F)c(C)s1 ZINC000228501536 711767175 /nfs/dbraw/zinc/76/71/75/711767175.db2.gz BEDBUKCBTDSCLV-YUMQZZPRSA-N 1 2 233.327 3.669 20 0 BHADLO Cc1cc([C@@H](C)[NH2+][C@H](C)C(F)F)c(C)s1 ZINC000228501542 711767187 /nfs/dbraw/zinc/76/71/87/711767187.db2.gz BEDBUKCBTDSCLV-HTQZYQBOSA-N 1 2 233.327 3.669 20 0 BHADLO Cc1cc([C@H](C)[NH2+][C@H](C)C(F)F)c(C)s1 ZINC000228501549 711767180 /nfs/dbraw/zinc/76/71/80/711767180.db2.gz BEDBUKCBTDSCLV-JGVFFNPUSA-N 1 2 233.327 3.669 20 0 BHADLO CC(C)c1ccc(C[NH2+][C@@H](C)C(F)F)cc1 ZINC000228511267 491095524 /nfs/dbraw/zinc/09/55/24/491095524.db2.gz HDASZEGFBIXNOW-JTQLQIEISA-N 1 2 227.298 3.553 20 0 BHADLO CC(C)c1ccc(C[NH2+][C@H](C)C(F)F)cc1 ZINC000228511274 491095508 /nfs/dbraw/zinc/09/55/08/491095508.db2.gz HDASZEGFBIXNOW-SNVBAGLBSA-N 1 2 227.298 3.553 20 0 BHADLO Cc1cc(NCC2(C3CC3)CC2)nc(C(C)C)[nH+]1 ZINC000228665628 178155952 /nfs/dbraw/zinc/15/59/52/178155952.db2.gz MAKGSSNDFIQDFU-UHFFFAOYSA-N 1 2 245.370 3.511 20 0 BHADLO Cc1c[nH+]cc(NC2CC(c3ccccc3)C2)c1 ZINC000228829666 388775130 /nfs/dbraw/zinc/77/51/30/388775130.db2.gz CNCXVTBXEOGRSM-UHFFFAOYSA-N 1 2 238.334 3.748 20 0 BHADLO Cc1c[nH+]cc(N[C@@H](C)CCCC(F)(F)F)c1 ZINC000229568975 388795081 /nfs/dbraw/zinc/79/50/81/388795081.db2.gz BYZDSLNLUFYUCX-JTQLQIEISA-N 1 2 246.276 3.923 20 0 BHADLO Cc1c[nH+]cc(N[C@H](C)CCCC(F)(F)F)c1 ZINC000229568985 388794667 /nfs/dbraw/zinc/79/46/67/388794667.db2.gz BYZDSLNLUFYUCX-SNVBAGLBSA-N 1 2 246.276 3.923 20 0 BHADLO Cc1cnc([C@@H](C)[NH2+][C@@H](C)c2cc(C)oc2C)o1 ZINC000230636643 353513427 /nfs/dbraw/zinc/51/34/27/353513427.db2.gz ZKXWOOQUDCRDER-WDEREUQCSA-N 1 2 248.326 3.605 20 0 BHADLO Cc1cnc([C@H](C)[NH2+][C@@H](C)c2cc(C)oc2C)o1 ZINC000230636650 353513595 /nfs/dbraw/zinc/51/35/95/353513595.db2.gz ZKXWOOQUDCRDER-QWRGUYRKSA-N 1 2 248.326 3.605 20 0 BHADLO Cc1cnc([C@@H](C)[NH2+][C@H](C)c2cc(C)oc2C)o1 ZINC000230636655 353513656 /nfs/dbraw/zinc/51/36/56/353513656.db2.gz ZKXWOOQUDCRDER-GHMZBOCLSA-N 1 2 248.326 3.605 20 0 BHADLO Cc1cnc([C@H](C)[NH2+][C@H](C)c2cc(C)oc2C)o1 ZINC000230636662 353513592 /nfs/dbraw/zinc/51/35/92/353513592.db2.gz ZKXWOOQUDCRDER-MNOVXSKESA-N 1 2 248.326 3.605 20 0 BHADLO CC(C)C[C@@H]1CCC[C@@H]([NH2+]CC(F)(F)F)C1 ZINC000230764460 388831008 /nfs/dbraw/zinc/83/10/08/388831008.db2.gz IZNKAIGPTMZRFG-WDEREUQCSA-N 1 2 237.309 3.743 20 0 BHADLO CC(C)C[C@H]1CCC[C@@H]([NH2+]CC(F)(F)F)C1 ZINC000230764463 388831199 /nfs/dbraw/zinc/83/11/99/388831199.db2.gz IZNKAIGPTMZRFG-GHMZBOCLSA-N 1 2 237.309 3.743 20 0 BHADLO CC(C)C[C@@H]1CCC[C@H]([NH2+]CC(F)(F)F)C1 ZINC000230764465 388830765 /nfs/dbraw/zinc/83/07/65/388830765.db2.gz IZNKAIGPTMZRFG-QWRGUYRKSA-N 1 2 237.309 3.743 20 0 BHADLO CC(C)C[C@H]1CCC[C@H]([NH2+]CC(F)(F)F)C1 ZINC000230764467 388830626 /nfs/dbraw/zinc/83/06/26/388830626.db2.gz IZNKAIGPTMZRFG-MNOVXSKESA-N 1 2 237.309 3.743 20 0 BHADLO Cc1c[nH+]cc(NCc2ccc(C(F)F)cc2)c1 ZINC000232073482 325117460 /nfs/dbraw/zinc/11/74/60/325117460.db2.gz BAFCJPWCQPLQHE-UHFFFAOYSA-N 1 2 248.276 3.940 20 0 BHADLO Cc1ccc(NC2CC(C(C)C)C2)c(C)[nH+]1 ZINC000232540822 388852437 /nfs/dbraw/zinc/85/24/37/388852437.db2.gz XLXORACXTRDPLK-UHFFFAOYSA-N 1 2 218.344 3.545 20 0 BHADLO CC(C)=CCNc1ccc2ccccc2[nH+]1 ZINC000232649487 353744560 /nfs/dbraw/zinc/74/45/60/353744560.db2.gz SDJNZLKJPBOKEF-UHFFFAOYSA-N 1 2 212.296 3.613 20 0 BHADLO Cc1cc[nH+]cc1NCc1ccc2cnccc2c1 ZINC000235787710 537904063 /nfs/dbraw/zinc/90/40/63/537904063.db2.gz CICQKGOAMDEHEG-UHFFFAOYSA-N 1 2 249.317 3.550 20 0 BHADLO Cc1[nH+]cccc1NCc1ccc2cnccc2c1 ZINC000235804765 537903886 /nfs/dbraw/zinc/90/38/86/537903886.db2.gz GHMOKQHJQIZFTK-UHFFFAOYSA-N 1 2 249.317 3.550 20 0 BHADLO Cc1ccc(NCc2ccc(C)c(Cl)c2)c[nH+]1 ZINC000235876487 387864549 /nfs/dbraw/zinc/86/45/49/387864549.db2.gz VHCKSSIUWWOSON-UHFFFAOYSA-N 1 2 246.741 3.964 20 0 BHADLO Cc1ccc(CNc2ccc[nH+]c2C)cc1Cl ZINC000235897660 387866513 /nfs/dbraw/zinc/86/65/13/387866513.db2.gz FAWIYQABGOQSIR-UHFFFAOYSA-N 1 2 246.741 3.964 20 0 BHADLO Cc1ccc(CNc2c[nH+]ccc2C)cc1Cl ZINC000235899160 388376225 /nfs/dbraw/zinc/37/62/25/388376225.db2.gz LDCVJRXVEIEUFP-UHFFFAOYSA-N 1 2 246.741 3.964 20 0 BHADLO Cc1c[nH+]cc(NCc2ccc(C)c(Cl)c2)c1 ZINC000235944185 388376252 /nfs/dbraw/zinc/37/62/52/388376252.db2.gz XRQXNWDEOVAGIJ-UHFFFAOYSA-N 1 2 246.741 3.964 20 0 BHADLO Cc1ccc(NCc2ccc3cnccc3c2)c[nH+]1 ZINC000235979707 537908149 /nfs/dbraw/zinc/90/81/49/537908149.db2.gz PYLUWOOHZHNXAV-UHFFFAOYSA-N 1 2 249.317 3.550 20 0 BHADLO CC[C@H]1CC[C@H](C(=O)Nc2cc[nH+]cc2C)CC1 ZINC000249088469 325636482 /nfs/dbraw/zinc/63/64/82/325636482.db2.gz CNGFBIBDKVQLGL-JOCQHMNTSA-N 1 2 246.354 3.545 20 0 BHADLO C[C@@H](c1ccccc1)[N@@H+](C)C/C(Cl)=C\Cl ZINC000254957226 643181213 /nfs/dbraw/zinc/18/12/13/643181213.db2.gz GIJYWLRTYLAILX-MJWAUXSNSA-N 1 2 244.165 3.998 20 0 BHADLO C[C@@H](c1ccccc1)[N@H+](C)C/C(Cl)=C\Cl ZINC000254957226 643181207 /nfs/dbraw/zinc/18/12/07/643181207.db2.gz GIJYWLRTYLAILX-MJWAUXSNSA-N 1 2 244.165 3.998 20 0 BHADLO C[C@H](c1ccccc1)[N@@H+](C)C/C(Cl)=C\Cl ZINC000254957229 643181432 /nfs/dbraw/zinc/18/14/32/643181432.db2.gz GIJYWLRTYLAILX-ZDIKFAODSA-N 1 2 244.165 3.998 20 0 BHADLO C[C@H](c1ccccc1)[N@H+](C)C/C(Cl)=C\Cl ZINC000254957229 643181430 /nfs/dbraw/zinc/18/14/30/643181430.db2.gz GIJYWLRTYLAILX-ZDIKFAODSA-N 1 2 244.165 3.998 20 0 BHADLO C/C(=C/c1ccccc1)CNc1cccc[nH+]1 ZINC000255596121 343669892 /nfs/dbraw/zinc/66/98/92/343669892.db2.gz ZITUSMHQDYZRKC-QBFSEMIESA-N 1 2 224.307 3.597 20 0 BHADLO CC(C)[N@@H+](C/C=C\c1ccccc1)CC(F)F ZINC000255710274 384956666 /nfs/dbraw/zinc/95/66/66/384956666.db2.gz PYSRBPHHXBHDPT-TWGQIWQCSA-N 1 2 239.309 3.675 20 0 BHADLO CC(C)[N@H+](C/C=C\c1ccccc1)CC(F)F ZINC000255710274 384956658 /nfs/dbraw/zinc/95/66/58/384956658.db2.gz PYSRBPHHXBHDPT-TWGQIWQCSA-N 1 2 239.309 3.675 20 0 BHADLO CCCC[C@@H](CC)C(=O)Nc1cc[nH+]cc1C ZINC000264564659 351244475 /nfs/dbraw/zinc/24/44/75/351244475.db2.gz VPUNOVKGVMFXCZ-GFCCVEGCSA-N 1 2 234.343 3.545 20 0 BHADLO CCCC[C@H](CC)C(=O)Nc1cc[nH+]cc1C ZINC000264564661 351244491 /nfs/dbraw/zinc/24/44/91/351244491.db2.gz VPUNOVKGVMFXCZ-LBPRGKRZSA-N 1 2 234.343 3.545 20 0 BHADLO CCc1c[nH+]ccc1NC(=O)CCC1CCCC1 ZINC000264994039 351260294 /nfs/dbraw/zinc/26/02/94/351260294.db2.gz KQUHZMWYVHGBEB-UHFFFAOYSA-N 1 2 246.354 3.553 20 0 BHADLO CCc1c[nH+]ccc1NC(=O)CC1CCCCC1 ZINC000265061909 351262439 /nfs/dbraw/zinc/26/24/39/351262439.db2.gz RAFYDBCMVZBAJF-UHFFFAOYSA-N 1 2 246.354 3.553 20 0 BHADLO CCc1c[nH+]ccc1NC(=O)C1CCCCCC1 ZINC000265196416 351265470 /nfs/dbraw/zinc/26/54/70/351265470.db2.gz JEQUQCPMGJAWDT-UHFFFAOYSA-N 1 2 246.354 3.553 20 0 BHADLO CCCCCCC(=O)Nc1cc[nH+]cc1CC ZINC000265233530 386322183 /nfs/dbraw/zinc/32/21/83/386322183.db2.gz PSVBVEHBRPWCBB-UHFFFAOYSA-N 1 2 234.343 3.553 20 0 BHADLO Cc1ccccc1[C@@H]1CCCN1c1cccc[nH+]1 ZINC000267170530 179329127 /nfs/dbraw/zinc/32/91/27/179329127.db2.gz BXXIZMNSYYSWEJ-HNNXBMFYSA-N 1 2 238.334 3.732 20 0 BHADLO Cc1ccccc1[C@H]1CCCN1c1cccc[nH+]1 ZINC000267170533 179346569 /nfs/dbraw/zinc/34/65/69/179346569.db2.gz BXXIZMNSYYSWEJ-OAHLLOKOSA-N 1 2 238.334 3.732 20 0 BHADLO CCc1c[nH+]ccc1NC(=O)C(C)(C)CC(C)C ZINC000267812909 351321664 /nfs/dbraw/zinc/32/16/64/351321664.db2.gz UDWIFCBBUWNAGY-UHFFFAOYSA-N 1 2 248.370 3.655 20 0 BHADLO Cc1ccc(NC(=O)C=C2CCCCC2)c(C)[nH+]1 ZINC000268028487 386609704 /nfs/dbraw/zinc/60/97/04/386609704.db2.gz WQFDMHSOAQVASA-UHFFFAOYSA-N 1 2 244.338 3.527 20 0 BHADLO CCc1c[nH+]ccc1NC(=O)C1(CC)CCCC1 ZINC000268231113 386633926 /nfs/dbraw/zinc/63/39/26/386633926.db2.gz YGHAEFMBTQRHCE-UHFFFAOYSA-N 1 2 246.354 3.553 20 0 BHADLO CCC[C@@H](C(=O)Nc1cc[nH+]cc1CC)C(C)C ZINC000270761934 169346577 /nfs/dbraw/zinc/34/65/77/169346577.db2.gz YEUKZVODUXSGJX-CYBMUJFWSA-N 1 2 248.370 3.655 20 0 BHADLO CCC[C@H](C(=O)Nc1cc[nH+]cc1CC)C(C)C ZINC000270761935 385740296 /nfs/dbraw/zinc/74/02/96/385740296.db2.gz YEUKZVODUXSGJX-ZDUSSCGKSA-N 1 2 248.370 3.655 20 0 BHADLO C[C@@H]1CCN(c2cccc[nH+]2)[C@@H](c2ccco2)C1 ZINC000271931823 132200104 /nfs/dbraw/zinc/20/01/04/132200104.db2.gz INCDUTMIXYVFKE-CHWSQXEVSA-N 1 2 242.322 3.652 20 0 BHADLO C[C@@H]1CCN(c2cccc[nH+]2)[C@H](c2ccco2)C1 ZINC000271931825 132200188 /nfs/dbraw/zinc/20/01/88/132200188.db2.gz INCDUTMIXYVFKE-OLZOCXBDSA-N 1 2 242.322 3.652 20 0 BHADLO C[C@H]1CCN(c2cccc[nH+]2)[C@@H](c2ccco2)C1 ZINC000271931826 132200231 /nfs/dbraw/zinc/20/02/31/132200231.db2.gz INCDUTMIXYVFKE-QWHCGFSZSA-N 1 2 242.322 3.652 20 0 BHADLO C[C@H]1CCN(c2cccc[nH+]2)[C@H](c2ccco2)C1 ZINC000271931828 132200021 /nfs/dbraw/zinc/20/00/21/132200021.db2.gz INCDUTMIXYVFKE-STQMWFEESA-N 1 2 242.322 3.652 20 0 BHADLO FC1=CCC[N@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000274029521 490287346 /nfs/dbraw/zinc/28/73/46/490287346.db2.gz DFNQJNWGYAJURR-UHFFFAOYSA-N 1 2 241.256 3.683 20 0 BHADLO FC1=CCC[N@@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000274029521 490287335 /nfs/dbraw/zinc/28/73/35/490287335.db2.gz DFNQJNWGYAJURR-UHFFFAOYSA-N 1 2 241.256 3.683 20 0 BHADLO CCc1c[nH+]ccc1NC(=O)/C(C)=C/C(C)(C)C ZINC000274660114 582461491 /nfs/dbraw/zinc/46/14/91/582461491.db2.gz GNJKEDUUEIRGHW-PKNBQFBNSA-N 1 2 246.354 3.575 20 0 BHADLO c1cc(C2CCN(c3cccc[nH+]3)CC2)cs1 ZINC000274959801 132204327 /nfs/dbraw/zinc/20/43/27/132204327.db2.gz GJVPALMLZJIKAO-UHFFFAOYSA-N 1 2 244.363 3.527 20 0 BHADLO CCC[C@](C)(CC)C(=O)Nc1cc[nH+]cc1C ZINC000279644805 386712571 /nfs/dbraw/zinc/71/25/71/386712571.db2.gz AZFVMERVPMWCLA-AWEZNQCLSA-N 1 2 234.343 3.545 20 0 BHADLO CCC[C@@](C)(CC)C(=O)Nc1cc[nH+]cc1C ZINC000279644807 386713706 /nfs/dbraw/zinc/71/37/06/386713706.db2.gz AZFVMERVPMWCLA-CQSZACIVSA-N 1 2 234.343 3.545 20 0 BHADLO FC1=CCC[N@H+](Cc2cccc(C(F)F)c2)C1 ZINC000279734838 386731868 /nfs/dbraw/zinc/73/18/68/386731868.db2.gz ODRLEHPFZAUPJK-UHFFFAOYSA-N 1 2 241.256 3.683 20 0 BHADLO FC1=CCC[N@@H+](Cc2cccc(C(F)F)c2)C1 ZINC000279734838 386731858 /nfs/dbraw/zinc/73/18/58/386731858.db2.gz ODRLEHPFZAUPJK-UHFFFAOYSA-N 1 2 241.256 3.683 20 0 BHADLO CCC[C@](C)(CC)C(=O)Nc1cc[nH+]cc1CC ZINC000280149785 386784111 /nfs/dbraw/zinc/78/41/11/386784111.db2.gz NQLIECWXHLZHDS-HNNXBMFYSA-N 1 2 248.370 3.799 20 0 BHADLO CCC[C@@](C)(CC)C(=O)Nc1cc[nH+]cc1CC ZINC000280149789 386784755 /nfs/dbraw/zinc/78/47/55/386784755.db2.gz NQLIECWXHLZHDS-OAHLLOKOSA-N 1 2 248.370 3.799 20 0 BHADLO CC[C@@H]1CCCC[C@H]1C(=O)Nc1cc[nH+]cc1C ZINC000280598995 351852335 /nfs/dbraw/zinc/85/23/35/351852335.db2.gz UNODIRPOXMSWAA-CHWSQXEVSA-N 1 2 246.354 3.545 20 0 BHADLO CC[C@@H]1CCCC[C@@H]1C(=O)Nc1cc[nH+]cc1C ZINC000280598997 351852625 /nfs/dbraw/zinc/85/26/25/351852625.db2.gz UNODIRPOXMSWAA-OLZOCXBDSA-N 1 2 246.354 3.545 20 0 BHADLO CC[C@H]1CCCC[C@H]1C(=O)Nc1cc[nH+]cc1C ZINC000280598999 386828881 /nfs/dbraw/zinc/82/88/81/386828881.db2.gz UNODIRPOXMSWAA-QWHCGFSZSA-N 1 2 246.354 3.545 20 0 BHADLO CC[C@H]1CCCC[C@@H]1C(=O)Nc1cc[nH+]cc1C ZINC000280599002 188031952 /nfs/dbraw/zinc/03/19/52/188031952.db2.gz UNODIRPOXMSWAA-STQMWFEESA-N 1 2 246.354 3.545 20 0 BHADLO C[C@@H]([NH2+]CCF)c1cc(Cl)sc1Cl ZINC000281191636 385408378 /nfs/dbraw/zinc/40/83/78/385408378.db2.gz XNFHWTNNKUWAOK-RXMQYKEDSA-N 1 2 242.146 3.675 20 0 BHADLO C[C@H]([NH2+]CCF)c1cc(Cl)sc1Cl ZINC000281191641 385408165 /nfs/dbraw/zinc/40/81/65/385408165.db2.gz XNFHWTNNKUWAOK-YFKPBYRVSA-N 1 2 242.146 3.675 20 0 BHADLO Cc1c[nH+]cc(NC2CCC(C(F)F)CC2)c1 ZINC000282344716 491111414 /nfs/dbraw/zinc/11/14/14/491111414.db2.gz OXTDKJZDECWBNR-UHFFFAOYSA-N 1 2 240.297 3.626 20 0 BHADLO Cc1[nH+]cccc1NC1CCC(C(F)F)CC1 ZINC000282397610 180225613 /nfs/dbraw/zinc/22/56/13/180225613.db2.gz RMBSHTDXNQKSSI-UHFFFAOYSA-N 1 2 240.297 3.626 20 0 BHADLO Cc1ccc(NC2CCC(C(F)F)CC2)c[nH+]1 ZINC000282500426 385767419 /nfs/dbraw/zinc/76/74/19/385767419.db2.gz YBFCYHJFRYGVQT-UHFFFAOYSA-N 1 2 240.297 3.626 20 0 BHADLO Cc1ccc(F)c(NCc2[nH+]ccn2C(C)C)c1 ZINC000284981037 385891816 /nfs/dbraw/zinc/89/18/16/385891816.db2.gz AZTMVHPMNRYWNN-UHFFFAOYSA-N 1 2 247.317 3.524 20 0 BHADLO CCc1ccc(N[C@H](C)c2[nH]cc[nH+]2)cc1Cl ZINC000285709960 538941920 /nfs/dbraw/zinc/94/19/20/538941920.db2.gz PKSRBSBAOAAYDN-SECBINFHSA-N 1 2 249.745 3.799 20 0 BHADLO CCc1ccc(N[C@@H](C)c2[nH]cc[nH+]2)cc1Cl ZINC000285709962 538941812 /nfs/dbraw/zinc/94/18/12/538941812.db2.gz PKSRBSBAOAAYDN-VIFPVBQESA-N 1 2 249.745 3.799 20 0 BHADLO CSc1cccc(N[C@@H](C)c2[nH]cc[nH+]2)c1C ZINC000285913302 538942651 /nfs/dbraw/zinc/94/26/51/538942651.db2.gz BZSWGLKTXUOTIO-JTQLQIEISA-N 1 2 247.367 3.613 20 0 BHADLO CSc1cccc(N[C@H](C)c2[nH]cc[nH+]2)c1C ZINC000285913309 538942750 /nfs/dbraw/zinc/94/27/50/538942750.db2.gz BZSWGLKTXUOTIO-SNVBAGLBSA-N 1 2 247.367 3.613 20 0 BHADLO Cc1cccc(N[C@H](C)c2[nH]cc[nH+]2)c1Cl ZINC000285936681 538942256 /nfs/dbraw/zinc/94/22/56/538942256.db2.gz DEIYEKUZWMRSPX-SECBINFHSA-N 1 2 235.718 3.545 20 0 BHADLO Cc1cccc(N[C@@H](C)c2[nH]cc[nH+]2)c1Cl ZINC000285936689 538942522 /nfs/dbraw/zinc/94/25/22/538942522.db2.gz DEIYEKUZWMRSPX-VIFPVBQESA-N 1 2 235.718 3.545 20 0 BHADLO Cc1c(Cl)cccc1N[C@H](C)c1[nH]cc[nH+]1 ZINC000285938789 537807530 /nfs/dbraw/zinc/80/75/30/537807530.db2.gz DHLCQHMGVQEUEI-SECBINFHSA-N 1 2 235.718 3.545 20 0 BHADLO Cc1c(Cl)cccc1N[C@@H](C)c1[nH]cc[nH+]1 ZINC000285938791 537807241 /nfs/dbraw/zinc/80/72/41/537807241.db2.gz DHLCQHMGVQEUEI-VIFPVBQESA-N 1 2 235.718 3.545 20 0 BHADLO CC(C)c1ccc(N[C@H](C)c2[nH]cc[nH+]2)cc1 ZINC000285942190 538942601 /nfs/dbraw/zinc/94/26/01/538942601.db2.gz DLAZNDGZFUXUCZ-LLVKDONJSA-N 1 2 229.327 3.706 20 0 BHADLO CC(C)c1ccc(N[C@@H](C)c2[nH]cc[nH+]2)cc1 ZINC000285942195 538942567 /nfs/dbraw/zinc/94/25/67/538942567.db2.gz DLAZNDGZFUXUCZ-NSHDSACASA-N 1 2 229.327 3.706 20 0 BHADLO Cc1ccc(N[C@H](C)c2[nH]cc[nH+]2)c(Cl)c1 ZINC000285954870 538942319 /nfs/dbraw/zinc/94/23/19/538942319.db2.gz FEFRBZPCNSKTCT-SECBINFHSA-N 1 2 235.718 3.545 20 0 BHADLO Cc1ccc(N[C@@H](C)c2[nH]cc[nH+]2)c(Cl)c1 ZINC000285954871 538942261 /nfs/dbraw/zinc/94/22/61/538942261.db2.gz FEFRBZPCNSKTCT-VIFPVBQESA-N 1 2 235.718 3.545 20 0 BHADLO CCSc1cccc(N[C@@H](C)c2[nH]cc[nH+]2)c1 ZINC000285970970 538942725 /nfs/dbraw/zinc/94/27/25/538942725.db2.gz GBNVWRFWCREMMQ-JTQLQIEISA-N 1 2 247.367 3.695 20 0 BHADLO CCSc1cccc(N[C@H](C)c2[nH]cc[nH+]2)c1 ZINC000285970974 537807157 /nfs/dbraw/zinc/80/71/57/537807157.db2.gz GBNVWRFWCREMMQ-SNVBAGLBSA-N 1 2 247.367 3.695 20 0 BHADLO C[C@@H](Nc1ccc(C(C)(C)C)cc1)c1[nH]cc[nH+]1 ZINC000285977020 538942259 /nfs/dbraw/zinc/94/22/59/538942259.db2.gz GJFMMCOZSWJTAD-LLVKDONJSA-N 1 2 243.354 3.880 20 0 BHADLO C[C@H](Nc1ccc(C(C)(C)C)cc1)c1[nH]cc[nH+]1 ZINC000285977023 538942624 /nfs/dbraw/zinc/94/26/24/538942624.db2.gz GJFMMCOZSWJTAD-NSHDSACASA-N 1 2 243.354 3.880 20 0 BHADLO CCCCc1ccc(N[C@H](C)c2[nH]cc[nH+]2)cc1 ZINC000286084890 538943005 /nfs/dbraw/zinc/94/30/05/538943005.db2.gz LRMQXUZEEZIDQU-GFCCVEGCSA-N 1 2 243.354 3.925 20 0 BHADLO CCCCc1ccc(N[C@@H](C)c2[nH]cc[nH+]2)cc1 ZINC000286084894 538942978 /nfs/dbraw/zinc/94/29/78/538942978.db2.gz LRMQXUZEEZIDQU-LBPRGKRZSA-N 1 2 243.354 3.925 20 0 BHADLO Cc1ccc(N[C@H](C)c2[nH]cc[nH+]2)cc1Cl ZINC000286127061 538943413 /nfs/dbraw/zinc/94/34/13/538943413.db2.gz NWKQQQIPKXCDQM-SECBINFHSA-N 1 2 235.718 3.545 20 0 BHADLO Cc1ccc(N[C@@H](C)c2[nH]cc[nH+]2)cc1Cl ZINC000286127062 538943460 /nfs/dbraw/zinc/94/34/60/538943460.db2.gz NWKQQQIPKXCDQM-VIFPVBQESA-N 1 2 235.718 3.545 20 0 BHADLO CSc1ccc(C)c(N[C@@H](C)c2[nH]cc[nH+]2)c1 ZINC000286179746 538943327 /nfs/dbraw/zinc/94/33/27/538943327.db2.gz QGQPXUYFUDJEEZ-JTQLQIEISA-N 1 2 247.367 3.613 20 0 BHADLO CSc1ccc(C)c(N[C@H](C)c2[nH]cc[nH+]2)c1 ZINC000286179751 538943113 /nfs/dbraw/zinc/94/31/13/538943113.db2.gz QGQPXUYFUDJEEZ-SNVBAGLBSA-N 1 2 247.367 3.613 20 0 BHADLO Cc1ccc(Cl)cc1N[C@H](C)c1[nH]cc[nH+]1 ZINC000286182115 538943428 /nfs/dbraw/zinc/94/34/28/538943428.db2.gz QKNKIWMJIFHDHO-SECBINFHSA-N 1 2 235.718 3.545 20 0 BHADLO Cc1ccc(Cl)cc1N[C@@H](C)c1[nH]cc[nH+]1 ZINC000286182120 538943445 /nfs/dbraw/zinc/94/34/45/538943445.db2.gz QKNKIWMJIFHDHO-VIFPVBQESA-N 1 2 235.718 3.545 20 0 BHADLO CC(C)c1cccc(N[C@H](C)c2[nH]cc[nH+]2)c1 ZINC000286273151 538110468 /nfs/dbraw/zinc/11/04/68/538110468.db2.gz VQMURYBNACTZSA-LLVKDONJSA-N 1 2 229.327 3.706 20 0 BHADLO CC(C)c1cccc(N[C@@H](C)c2[nH]cc[nH+]2)c1 ZINC000286273155 538944166 /nfs/dbraw/zinc/94/41/66/538944166.db2.gz VQMURYBNACTZSA-NSHDSACASA-N 1 2 229.327 3.706 20 0 BHADLO Cc1ccc(Cl)c(N[C@H](C)c2[nH]cc[nH+]2)c1 ZINC000286364433 538943995 /nfs/dbraw/zinc/94/39/95/538943995.db2.gz ZWZWQJYISTYOFP-SECBINFHSA-N 1 2 235.718 3.545 20 0 BHADLO Cc1ccc(Cl)c(N[C@@H](C)c2[nH]cc[nH+]2)c1 ZINC000286364435 538944087 /nfs/dbraw/zinc/94/40/87/538944087.db2.gz ZWZWQJYISTYOFP-VIFPVBQESA-N 1 2 235.718 3.545 20 0 BHADLO Cc1ccnc([C@@H](C)Nc2ccc(C)[nH+]c2C)c1 ZINC000286366272 386029058 /nfs/dbraw/zinc/02/90/58/386029058.db2.gz ZZWNDJMHTXMSPC-CYBMUJFWSA-N 1 2 241.338 3.575 20 0 BHADLO Cc1ccnc([C@H](C)Nc2ccc(C)[nH+]c2C)c1 ZINC000286366276 386028147 /nfs/dbraw/zinc/02/81/47/386028147.db2.gz ZZWNDJMHTXMSPC-ZDUSSCGKSA-N 1 2 241.338 3.575 20 0 BHADLO FCCCC[N@H+](Cc1ccccc1)CC(F)F ZINC000286435986 386039045 /nfs/dbraw/zinc/03/90/45/386039045.db2.gz NGLJNOKXQYVQTO-UHFFFAOYSA-N 1 2 245.288 3.503 20 0 BHADLO FCCCC[N@@H+](Cc1ccccc1)CC(F)F ZINC000286435986 386039040 /nfs/dbraw/zinc/03/90/40/386039040.db2.gz NGLJNOKXQYVQTO-UHFFFAOYSA-N 1 2 245.288 3.503 20 0 BHADLO C[C@@H](Nc1ccc(C2CCC2)cc1)c1[nH]cc[nH+]1 ZINC000287362720 538944540 /nfs/dbraw/zinc/94/45/40/538944540.db2.gz HJNFZOVVYIXWSF-LLVKDONJSA-N 1 2 241.338 3.850 20 0 BHADLO C[C@H](Nc1ccc(C2CCC2)cc1)c1[nH]cc[nH+]1 ZINC000287362723 538944435 /nfs/dbraw/zinc/94/44/35/538944435.db2.gz HJNFZOVVYIXWSF-NSHDSACASA-N 1 2 241.338 3.850 20 0 BHADLO FC(F)(F)CC[N@H+]1Cc2cccc(Cl)c2C1 ZINC000287424837 386123841 /nfs/dbraw/zinc/12/38/41/386123841.db2.gz PCXOMAMGHSOFLS-UHFFFAOYSA-N 1 2 249.663 3.608 20 0 BHADLO FC(F)(F)CC[N@@H+]1Cc2cccc(Cl)c2C1 ZINC000287424837 386123834 /nfs/dbraw/zinc/12/38/34/386123834.db2.gz PCXOMAMGHSOFLS-UHFFFAOYSA-N 1 2 249.663 3.608 20 0 BHADLO Cc1cc(N[C@@H](C)c2[nH]cc[nH+]2)cc(C)c1Cl ZINC000287723364 538945137 /nfs/dbraw/zinc/94/51/37/538945137.db2.gz YBWIXMQGMGIIAM-JTQLQIEISA-N 1 2 249.745 3.853 20 0 BHADLO Cc1cc(N[C@H](C)c2[nH]cc[nH+]2)cc(C)c1Cl ZINC000287723379 538944903 /nfs/dbraw/zinc/94/49/03/538944903.db2.gz YBWIXMQGMGIIAM-SNVBAGLBSA-N 1 2 249.745 3.853 20 0 BHADLO Clc1nc(C[NH+]2CCCCCCC2)cs1 ZINC000289312123 386569966 /nfs/dbraw/zinc/56/99/66/386569966.db2.gz JHCWNFVJIVHKPW-UHFFFAOYSA-N 1 2 244.791 3.563 20 0 BHADLO CC[N@@H+](CC1CCC(=O)CC1)c1ccccc1C ZINC000289968186 386375515 /nfs/dbraw/zinc/37/55/15/386375515.db2.gz IYBXXQKRRMQQAM-UHFFFAOYSA-N 1 2 245.366 3.581 20 0 BHADLO CC[N@H+](CC1CCC(=O)CC1)c1ccccc1C ZINC000289968186 386375506 /nfs/dbraw/zinc/37/55/06/386375506.db2.gz IYBXXQKRRMQQAM-UHFFFAOYSA-N 1 2 245.366 3.581 20 0 BHADLO Cc1ccc(NC(=O)CC2(C)CCCC2)c(C)[nH+]1 ZINC000290095437 386393370 /nfs/dbraw/zinc/39/33/70/386393370.db2.gz JYAMAJWLJAATPV-UHFFFAOYSA-N 1 2 246.354 3.607 20 0 BHADLO CCc1c[nH+]ccc1NC(=O)CC1(C)CCCC1 ZINC000290165963 352212184 /nfs/dbraw/zinc/21/21/84/352212184.db2.gz QLRGRBHEYAQWED-UHFFFAOYSA-N 1 2 246.354 3.553 20 0 BHADLO C[C@@H](Nc1cccc(C2CCC2)c1)c1[nH]cc[nH+]1 ZINC000291330142 384303577 /nfs/dbraw/zinc/30/35/77/384303577.db2.gz VMKVGNIATLLCGB-LLVKDONJSA-N 1 2 241.338 3.850 20 0 BHADLO C[C@H](Nc1cccc(C2CCC2)c1)c1[nH]cc[nH+]1 ZINC000291330147 384303306 /nfs/dbraw/zinc/30/33/06/384303306.db2.gz VMKVGNIATLLCGB-NSHDSACASA-N 1 2 241.338 3.850 20 0 BHADLO FC1(F)CC(CNc2ccc3ccccc3[nH+]2)C1 ZINC000291937849 386011950 /nfs/dbraw/zinc/01/19/50/386011950.db2.gz SVYCVIMYMUMKJD-UHFFFAOYSA-N 1 2 248.276 3.692 20 0 BHADLO Cc1[nH+]c(C(C)C)ccc1CSc1ncco1 ZINC000292582433 386694234 /nfs/dbraw/zinc/69/42/34/386694234.db2.gz GCPBBFHARBNHHP-UHFFFAOYSA-N 1 2 248.351 3.794 20 0 BHADLO Cc1[nH+]c(C(C)C)ccc1CSc1ncc[nH]1 ZINC000292657903 386705195 /nfs/dbraw/zinc/70/51/95/386705195.db2.gz NCQBMVAECOAZST-UHFFFAOYSA-N 1 2 247.367 3.529 20 0 BHADLO FCCCCC[NH2+][C@H](c1ccccc1)C(F)F ZINC000292829106 386733575 /nfs/dbraw/zinc/73/35/75/386733575.db2.gz UAMGFTPHIXQTRI-GFCCVEGCSA-N 1 2 245.288 3.722 20 0 BHADLO FCCCCC[NH2+][C@@H](c1ccccc1)C(F)F ZINC000292829111 386732608 /nfs/dbraw/zinc/73/26/08/386732608.db2.gz UAMGFTPHIXQTRI-LBPRGKRZSA-N 1 2 245.288 3.722 20 0 BHADLO CC(C)c1ccc(N[C@H]2CCn3cc[nH+]c32)cc1 ZINC000293857716 398297434 /nfs/dbraw/zinc/29/74/34/398297434.db2.gz DAVLCRMNNVKWAG-AWEZNQCLSA-N 1 2 241.338 3.563 20 0 BHADLO CC(C)c1ccc(N[C@@H]2CCn3cc[nH+]c32)cc1 ZINC000293857719 398297353 /nfs/dbraw/zinc/29/73/53/398297353.db2.gz DAVLCRMNNVKWAG-CQSZACIVSA-N 1 2 241.338 3.563 20 0 BHADLO CC(C)c1cccc(N[C@H]2CCn3cc[nH+]c32)c1 ZINC000293904570 398205813 /nfs/dbraw/zinc/20/58/13/398205813.db2.gz HNSRLRKYMOXPFY-AWEZNQCLSA-N 1 2 241.338 3.563 20 0 BHADLO CC(C)c1cccc(N[C@@H]2CCn3cc[nH+]c32)c1 ZINC000293904574 398206363 /nfs/dbraw/zinc/20/63/63/398206363.db2.gz HNSRLRKYMOXPFY-CQSZACIVSA-N 1 2 241.338 3.563 20 0 BHADLO Cc1ccc(N[C@@H]2C[C@H](C)n3cc[nH+]c32)c(C)c1 ZINC000294044818 384272208 /nfs/dbraw/zinc/27/22/08/384272208.db2.gz IXIDHBLJUZZRLJ-GXTWGEPZSA-N 1 2 241.338 3.618 20 0 BHADLO Cc1ccc(N[C@H]2C[C@H](C)n3cc[nH+]c32)c(C)c1 ZINC000294044821 384267798 /nfs/dbraw/zinc/26/77/98/384267798.db2.gz IXIDHBLJUZZRLJ-JSGCOSHPSA-N 1 2 241.338 3.618 20 0 BHADLO Cc1ccc(N[C@H]2C[C@@H](C)n3cc[nH+]c32)c(C)c1 ZINC000294044824 384269139 /nfs/dbraw/zinc/26/91/39/384269139.db2.gz IXIDHBLJUZZRLJ-OCCSQVGLSA-N 1 2 241.338 3.618 20 0 BHADLO Cc1ccc(N[C@@H]2C[C@@H](C)n3cc[nH+]c32)c(C)c1 ZINC000294044827 384269801 /nfs/dbraw/zinc/26/98/01/384269801.db2.gz IXIDHBLJUZZRLJ-TZMCWYRMSA-N 1 2 241.338 3.618 20 0 BHADLO Cc1cccc(N[C@@H]2C[C@@H](C)n3cc[nH+]c32)c1C ZINC000294093855 179154980 /nfs/dbraw/zinc/15/49/80/179154980.db2.gz MFMIYHKPVWIHOW-BXUZGUMPSA-N 1 2 241.338 3.618 20 0 BHADLO Cc1cccc(N[C@H]2C[C@H](C)n3cc[nH+]c32)c1C ZINC000294093857 179158433 /nfs/dbraw/zinc/15/84/33/179158433.db2.gz MFMIYHKPVWIHOW-FZMZJTMJSA-N 1 2 241.338 3.618 20 0 BHADLO Cc1cccc(N[C@H]2C[C@@H](C)n3cc[nH+]c32)c1C ZINC000294093859 179158609 /nfs/dbraw/zinc/15/86/09/179158609.db2.gz MFMIYHKPVWIHOW-RISCZKNCSA-N 1 2 241.338 3.618 20 0 BHADLO Cc1cccc(N[C@@H]2C[C@H](C)n3cc[nH+]c32)c1C ZINC000294093861 179154762 /nfs/dbraw/zinc/15/47/62/179154762.db2.gz MFMIYHKPVWIHOW-SMDDNHRTSA-N 1 2 241.338 3.618 20 0 BHADLO C[C@@H]1C[C@@H](Nc2ccc(Cl)cc2)c2[nH+]ccn21 ZINC000294138801 176380315 /nfs/dbraw/zinc/38/03/15/176380315.db2.gz PEZPFENRZCPUMV-BXKDBHETSA-N 1 2 247.729 3.654 20 0 BHADLO C[C@H]1C[C@H](Nc2ccc(Cl)cc2)c2[nH+]ccn21 ZINC000294138806 177371966 /nfs/dbraw/zinc/37/19/66/177371966.db2.gz PEZPFENRZCPUMV-CABZTGNLSA-N 1 2 247.729 3.654 20 0 BHADLO C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2[nH+]ccn21 ZINC000294138813 177334390 /nfs/dbraw/zinc/33/43/90/177334390.db2.gz PEZPFENRZCPUMV-JOYOIKCWSA-N 1 2 247.729 3.654 20 0 BHADLO C[C@@H]1C[C@H](Nc2ccc(Cl)cc2)c2[nH+]ccn21 ZINC000294138820 384976609 /nfs/dbraw/zinc/97/66/09/384976609.db2.gz PEZPFENRZCPUMV-SKDRFNHKSA-N 1 2 247.729 3.654 20 0 BHADLO CCc1ccc(N[C@@H]2C[C@@H](C)n3cc[nH+]c32)cc1 ZINC000294143262 385101378 /nfs/dbraw/zinc/10/13/78/385101378.db2.gz PNWNHEORZDLZGM-BXUZGUMPSA-N 1 2 241.338 3.563 20 0 BHADLO CCc1ccc(N[C@H]2C[C@H](C)n3cc[nH+]c32)cc1 ZINC000294143264 385100902 /nfs/dbraw/zinc/10/09/02/385100902.db2.gz PNWNHEORZDLZGM-FZMZJTMJSA-N 1 2 241.338 3.563 20 0 BHADLO CCc1ccc(N[C@H]2C[C@@H](C)n3cc[nH+]c32)cc1 ZINC000294143266 385101577 /nfs/dbraw/zinc/10/15/77/385101577.db2.gz PNWNHEORZDLZGM-RISCZKNCSA-N 1 2 241.338 3.563 20 0 BHADLO CCc1ccc(N[C@@H]2C[C@H](C)n3cc[nH+]c32)cc1 ZINC000294143268 385100330 /nfs/dbraw/zinc/10/03/30/385100330.db2.gz PNWNHEORZDLZGM-SMDDNHRTSA-N 1 2 241.338 3.563 20 0 BHADLO C[C@@H]1C[C@@H](Nc2cccc(Cl)c2)c2[nH+]ccn21 ZINC000294169910 176380595 /nfs/dbraw/zinc/38/05/95/176380595.db2.gz RIYZMVLJXCUQCO-BXKDBHETSA-N 1 2 247.729 3.654 20 0 BHADLO C[C@H]1C[C@H](Nc2cccc(Cl)c2)c2[nH+]ccn21 ZINC000294169912 177372307 /nfs/dbraw/zinc/37/23/07/177372307.db2.gz RIYZMVLJXCUQCO-CABZTGNLSA-N 1 2 247.729 3.654 20 0 BHADLO C[C@H]1C[C@@H](Nc2cccc(Cl)c2)c2[nH+]ccn21 ZINC000294169914 177334444 /nfs/dbraw/zinc/33/44/44/177334444.db2.gz RIYZMVLJXCUQCO-JOYOIKCWSA-N 1 2 247.729 3.654 20 0 BHADLO C[C@@H]1C[C@H](Nc2cccc(Cl)c2)c2[nH+]ccn21 ZINC000294169916 385353349 /nfs/dbraw/zinc/35/33/49/385353349.db2.gz RIYZMVLJXCUQCO-SKDRFNHKSA-N 1 2 247.729 3.654 20 0 BHADLO Cc1ccc(C)c(N[C@@H]2C[C@H](C)n3cc[nH+]c32)c1 ZINC000294200219 388396615 /nfs/dbraw/zinc/39/66/15/388396615.db2.gz SWNWKQHNJFVHRB-GXTWGEPZSA-N 1 2 241.338 3.618 20 0 BHADLO Cc1ccc(C)c(N[C@H]2C[C@H](C)n3cc[nH+]c32)c1 ZINC000294200222 384560697 /nfs/dbraw/zinc/56/06/97/384560697.db2.gz SWNWKQHNJFVHRB-JSGCOSHPSA-N 1 2 241.338 3.618 20 0 BHADLO Cc1ccc(C)c(N[C@H]2C[C@@H](C)n3cc[nH+]c32)c1 ZINC000294200225 410472411 /nfs/dbraw/zinc/47/24/11/410472411.db2.gz SWNWKQHNJFVHRB-OCCSQVGLSA-N 1 2 241.338 3.618 20 0 BHADLO Cc1ccc(C)c(N[C@@H]2C[C@@H](C)n3cc[nH+]c32)c1 ZINC000294200228 398342946 /nfs/dbraw/zinc/34/29/46/398342946.db2.gz SWNWKQHNJFVHRB-TZMCWYRMSA-N 1 2 241.338 3.618 20 0 BHADLO CC(F)(F)CCNc1ccc2ccccc2[nH+]1 ZINC000294218278 384669863 /nfs/dbraw/zinc/66/98/63/384669863.db2.gz NDSQTIDGOJQYQL-UHFFFAOYSA-N 1 2 236.265 3.692 20 0 BHADLO CCc1ccccc1N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000294233229 388396626 /nfs/dbraw/zinc/39/66/26/388396626.db2.gz VQJAONYDACCCTR-BXUZGUMPSA-N 1 2 241.338 3.563 20 0 BHADLO CCc1ccccc1N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000294233234 171889767 /nfs/dbraw/zinc/88/97/67/171889767.db2.gz VQJAONYDACCCTR-FZMZJTMJSA-N 1 2 241.338 3.563 20 0 BHADLO CCc1ccccc1N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000294233240 384690438 /nfs/dbraw/zinc/69/04/38/384690438.db2.gz VQJAONYDACCCTR-RISCZKNCSA-N 1 2 241.338 3.563 20 0 BHADLO CCc1ccccc1N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000294233244 384689450 /nfs/dbraw/zinc/68/94/50/384689450.db2.gz VQJAONYDACCCTR-SMDDNHRTSA-N 1 2 241.338 3.563 20 0 BHADLO CCc1cccc(N[C@@H]2C[C@@H](C)n3cc[nH+]c32)c1 ZINC000294264326 384706657 /nfs/dbraw/zinc/70/66/57/384706657.db2.gz XMEZPTUOPBCYBH-BXUZGUMPSA-N 1 2 241.338 3.563 20 0 BHADLO CCc1cccc(N[C@H]2C[C@H](C)n3cc[nH+]c32)c1 ZINC000294264329 384706981 /nfs/dbraw/zinc/70/69/81/384706981.db2.gz XMEZPTUOPBCYBH-FZMZJTMJSA-N 1 2 241.338 3.563 20 0 BHADLO CCc1cccc(N[C@H]2C[C@@H](C)n3cc[nH+]c32)c1 ZINC000294264332 384707024 /nfs/dbraw/zinc/70/70/24/384707024.db2.gz XMEZPTUOPBCYBH-RISCZKNCSA-N 1 2 241.338 3.563 20 0 BHADLO CCc1cccc(N[C@@H]2C[C@H](C)n3cc[nH+]c32)c1 ZINC000294264335 384706309 /nfs/dbraw/zinc/70/63/09/384706309.db2.gz XMEZPTUOPBCYBH-SMDDNHRTSA-N 1 2 241.338 3.563 20 0 BHADLO Cc1sccc1C[N@H+](CC(F)F)C(C)C ZINC000294271629 180564105 /nfs/dbraw/zinc/56/41/05/180564105.db2.gz OLQOGQSILVNXOM-UHFFFAOYSA-N 1 2 233.327 3.532 20 0 BHADLO Cc1sccc1C[N@@H+](CC(F)F)C(C)C ZINC000294271629 180564103 /nfs/dbraw/zinc/56/41/03/180564103.db2.gz OLQOGQSILVNXOM-UHFFFAOYSA-N 1 2 233.327 3.532 20 0 BHADLO CCC[C@@H]1CCC[C@H]1C(=O)Nc1cc[nH+]cc1C ZINC000294760412 385891148 /nfs/dbraw/zinc/89/11/48/385891148.db2.gz YCFOOTNZTWISCJ-CHWSQXEVSA-N 1 2 246.354 3.545 20 0 BHADLO CCC[C@@H]1CCC[C@@H]1C(=O)Nc1cc[nH+]cc1C ZINC000294760414 385890888 /nfs/dbraw/zinc/89/08/88/385890888.db2.gz YCFOOTNZTWISCJ-OLZOCXBDSA-N 1 2 246.354 3.545 20 0 BHADLO CCC[C@H]1CCC[C@H]1C(=O)Nc1cc[nH+]cc1C ZINC000294760418 385891420 /nfs/dbraw/zinc/89/14/20/385891420.db2.gz YCFOOTNZTWISCJ-QWHCGFSZSA-N 1 2 246.354 3.545 20 0 BHADLO CCC[C@H]1CCC[C@@H]1C(=O)Nc1cc[nH+]cc1C ZINC000294760420 385890881 /nfs/dbraw/zinc/89/08/81/385890881.db2.gz YCFOOTNZTWISCJ-STQMWFEESA-N 1 2 246.354 3.545 20 0 BHADLO C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1csc(Cl)n1 ZINC000294926043 177117636 /nfs/dbraw/zinc/11/76/36/177117636.db2.gz IUAGEJIKCPBUAH-DTORHVGOSA-N 1 2 244.791 3.559 20 0 BHADLO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1csc(Cl)n1 ZINC000294926043 177117632 /nfs/dbraw/zinc/11/76/32/177117632.db2.gz IUAGEJIKCPBUAH-DTORHVGOSA-N 1 2 244.791 3.559 20 0 BHADLO Cc1cccc(CSCCCn2cc[nH+]c2)c1 ZINC000295182102 385983923 /nfs/dbraw/zinc/98/39/23/385983923.db2.gz IYEHIQYPUOQHRJ-UHFFFAOYSA-N 1 2 246.379 3.515 20 0 BHADLO CC[N@@H+](CC1CCC(=O)CC1)c1cccc(C)c1 ZINC000295669335 386069431 /nfs/dbraw/zinc/06/94/31/386069431.db2.gz JQOOHSRWTCLSTC-UHFFFAOYSA-N 1 2 245.366 3.581 20 0 BHADLO CC[N@H+](CC1CCC(=O)CC1)c1cccc(C)c1 ZINC000295669335 386069427 /nfs/dbraw/zinc/06/94/27/386069427.db2.gz JQOOHSRWTCLSTC-UHFFFAOYSA-N 1 2 245.366 3.581 20 0 BHADLO CCOc1ccc([NH2+]CC2CC(F)(F)C2)cc1 ZINC000296036860 388416617 /nfs/dbraw/zinc/41/66/17/388416617.db2.gz QLPWCZNOUQHJQV-UHFFFAOYSA-N 1 2 241.281 3.543 20 0 BHADLO CCn1cc[nH+]c1[C@H](C)Nc1ccc(Cl)cc1 ZINC000296279170 172229283 /nfs/dbraw/zinc/22/92/83/172229283.db2.gz CFVHAEDWPKYGEA-JTQLQIEISA-N 1 2 249.745 3.730 20 0 BHADLO CCn1cc[nH+]c1[C@@H](C)Nc1ccc(Cl)cc1 ZINC000296279176 172228945 /nfs/dbraw/zinc/22/89/45/172228945.db2.gz CFVHAEDWPKYGEA-SNVBAGLBSA-N 1 2 249.745 3.730 20 0 BHADLO CCn1cc[nH+]c1[C@@H](C)Nc1cccc(F)c1C ZINC000296570452 172229271 /nfs/dbraw/zinc/22/92/71/172229271.db2.gz VBFRJTAVACPBDF-LLVKDONJSA-N 1 2 247.317 3.524 20 0 BHADLO CCn1cc[nH+]c1[C@H](C)Nc1cccc(F)c1C ZINC000296570455 172229161 /nfs/dbraw/zinc/22/91/61/172229161.db2.gz VBFRJTAVACPBDF-NSHDSACASA-N 1 2 247.317 3.524 20 0 BHADLO CCn1cc[nH+]c1[C@@H](C)Nc1ccc(C)cc1F ZINC000296646521 172229085 /nfs/dbraw/zinc/22/90/85/172229085.db2.gz DEHXDVNVIWLBLA-LLVKDONJSA-N 1 2 247.317 3.524 20 0 BHADLO CCn1cc[nH+]c1[C@H](C)Nc1ccc(C)cc1F ZINC000296646523 172229153 /nfs/dbraw/zinc/22/91/53/172229153.db2.gz DEHXDVNVIWLBLA-NSHDSACASA-N 1 2 247.317 3.524 20 0 BHADLO CCn1cc[nH+]c1[C@@H](C)Nc1cc(C)ccc1F ZINC000296654186 172229836 /nfs/dbraw/zinc/22/98/36/172229836.db2.gz DQVJEEPEBLWEIK-LLVKDONJSA-N 1 2 247.317 3.524 20 0 BHADLO CCn1cc[nH+]c1[C@H](C)Nc1cc(C)ccc1F ZINC000296654188 172230078 /nfs/dbraw/zinc/23/00/78/172230078.db2.gz DQVJEEPEBLWEIK-NSHDSACASA-N 1 2 247.317 3.524 20 0 BHADLO CCn1cc[nH+]c1[C@@H](C)Nc1cc(C)ccc1C ZINC000296677820 172230069 /nfs/dbraw/zinc/23/00/69/172230069.db2.gz GIKAGWWTTVDTIK-CYBMUJFWSA-N 1 2 243.354 3.693 20 0 BHADLO CCn1cc[nH+]c1[C@H](C)Nc1cc(C)ccc1C ZINC000296677824 172230102 /nfs/dbraw/zinc/23/01/02/172230102.db2.gz GIKAGWWTTVDTIK-ZDUSSCGKSA-N 1 2 243.354 3.693 20 0 BHADLO CCc1ccccc1N[C@H](C)c1[nH+]ccn1CC ZINC000296781426 171889302 /nfs/dbraw/zinc/88/93/02/171889302.db2.gz KUGUTAHACRIWDQ-GFCCVEGCSA-N 1 2 243.354 3.639 20 0 BHADLO CCc1ccccc1N[C@@H](C)c1[nH+]ccn1CC ZINC000296781430 386200884 /nfs/dbraw/zinc/20/08/84/386200884.db2.gz KUGUTAHACRIWDQ-LBPRGKRZSA-N 1 2 243.354 3.639 20 0 BHADLO CCn1cc[nH+]c1[C@@H](C)Nc1cccc(C)c1C ZINC000296890432 172229247 /nfs/dbraw/zinc/22/92/47/172229247.db2.gz ONKDMWCNTOUNMO-CYBMUJFWSA-N 1 2 243.354 3.693 20 0 BHADLO CCn1cc[nH+]c1[C@H](C)Nc1cccc(C)c1C ZINC000296890436 172228937 /nfs/dbraw/zinc/22/89/37/172228937.db2.gz ONKDMWCNTOUNMO-ZDUSSCGKSA-N 1 2 243.354 3.693 20 0 BHADLO CCn1cc[nH+]c1[C@@H](C)Nc1ccc(C)cc1C ZINC000296960817 172229495 /nfs/dbraw/zinc/22/94/95/172229495.db2.gz RDLVJUVTXCZOLM-CYBMUJFWSA-N 1 2 243.354 3.693 20 0 BHADLO CCn1cc[nH+]c1[C@H](C)Nc1ccc(C)cc1C ZINC000296960825 172229258 /nfs/dbraw/zinc/22/92/58/172229258.db2.gz RDLVJUVTXCZOLM-ZDUSSCGKSA-N 1 2 243.354 3.693 20 0 BHADLO CCn1cc[nH+]c1[C@@H](C)Nc1ccc(F)cc1C ZINC000296973744 172228911 /nfs/dbraw/zinc/22/89/11/172228911.db2.gz RSAFQPCLJMAICU-LLVKDONJSA-N 1 2 247.317 3.524 20 0 BHADLO CCn1cc[nH+]c1[C@H](C)Nc1ccc(F)cc1C ZINC000296973746 172229156 /nfs/dbraw/zinc/22/91/56/172229156.db2.gz RSAFQPCLJMAICU-NSHDSACASA-N 1 2 247.317 3.524 20 0 BHADLO CCc1cccc(N[C@H](C)c2[nH+]ccn2CC)c1 ZINC000296976649 171863277 /nfs/dbraw/zinc/86/32/77/171863277.db2.gz RSVGZHRXXPXZAS-GFCCVEGCSA-N 1 2 243.354 3.639 20 0 BHADLO CCc1cccc(N[C@@H](C)c2[nH+]ccn2CC)c1 ZINC000296976651 386215880 /nfs/dbraw/zinc/21/58/80/386215880.db2.gz RSVGZHRXXPXZAS-LBPRGKRZSA-N 1 2 243.354 3.639 20 0 BHADLO CCc1ccc(N[C@H](C)c2[nH+]ccn2CC)cc1 ZINC000297112397 386225847 /nfs/dbraw/zinc/22/58/47/386225847.db2.gz YCKBOPIKGHXFCD-GFCCVEGCSA-N 1 2 243.354 3.639 20 0 BHADLO CCc1ccc(N[C@@H](C)c2[nH+]ccn2CC)cc1 ZINC000297112400 386225405 /nfs/dbraw/zinc/22/54/05/386225405.db2.gz YCKBOPIKGHXFCD-LBPRGKRZSA-N 1 2 243.354 3.639 20 0 BHADLO CCn1cc[nH+]c1[C@H](C)Nc1cccc(Cl)c1 ZINC000297142538 172229979 /nfs/dbraw/zinc/22/99/79/172229979.db2.gz ZNSOZBBKWNBCFJ-JTQLQIEISA-N 1 2 249.745 3.730 20 0 BHADLO CCn1cc[nH+]c1[C@@H](C)Nc1cccc(Cl)c1 ZINC000297142539 172229903 /nfs/dbraw/zinc/22/99/03/172229903.db2.gz ZNSOZBBKWNBCFJ-SNVBAGLBSA-N 1 2 249.745 3.730 20 0 BHADLO C[C@H]1CCC[C@H](C)[NH+]1Cc1csc(Cl)n1 ZINC000297442997 177132051 /nfs/dbraw/zinc/13/20/51/177132051.db2.gz IUAGEJIKCPBUAH-IUCAKERBSA-N 1 2 244.791 3.559 20 0 BHADLO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1csc(Cl)n1 ZINC000297443007 176115973 /nfs/dbraw/zinc/11/59/73/176115973.db2.gz IUAGEJIKCPBUAH-RKDXNWHRSA-N 1 2 244.791 3.559 20 0 BHADLO c1ccc([C@H](Nc2cccc[nH+]2)C2CC2)cc1 ZINC000298116930 386298089 /nfs/dbraw/zinc/29/80/89/386298089.db2.gz XLWCSMFVEPFQFH-HNNXBMFYSA-N 1 2 224.307 3.645 20 0 BHADLO c1ccc([C@@H](Nc2cccc[nH+]2)C2CC2)cc1 ZINC000298116933 386297583 /nfs/dbraw/zinc/29/75/83/386297583.db2.gz XLWCSMFVEPFQFH-OAHLLOKOSA-N 1 2 224.307 3.645 20 0 BHADLO Cc1ccc([C@@H](C)[N@@H+](C)Cc2cscn2)cc1 ZINC000298711838 386375223 /nfs/dbraw/zinc/37/52/23/386375223.db2.gz IBDYZNXXVIYLHX-GFCCVEGCSA-N 1 2 246.379 3.645 20 0 BHADLO Cc1ccc([C@@H](C)[N@H+](C)Cc2cscn2)cc1 ZINC000298711838 386375219 /nfs/dbraw/zinc/37/52/19/386375219.db2.gz IBDYZNXXVIYLHX-GFCCVEGCSA-N 1 2 246.379 3.645 20 0 BHADLO Cc1ccc([C@H](C)[N@@H+](C)Cc2cscn2)cc1 ZINC000298711849 386376178 /nfs/dbraw/zinc/37/61/78/386376178.db2.gz IBDYZNXXVIYLHX-LBPRGKRZSA-N 1 2 246.379 3.645 20 0 BHADLO Cc1ccc([C@H](C)[N@H+](C)Cc2cscn2)cc1 ZINC000298711849 386376172 /nfs/dbraw/zinc/37/61/72/386376172.db2.gz IBDYZNXXVIYLHX-LBPRGKRZSA-N 1 2 246.379 3.645 20 0 BHADLO c1ccc(SCCCNc2cccc[nH+]2)cc1 ZINC000301062126 386815010 /nfs/dbraw/zinc/81/50/10/386815010.db2.gz SNGUCIGBKMROQH-UHFFFAOYSA-N 1 2 244.363 3.676 20 0 BHADLO CC[C@@H]1CCCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC000301065038 132250564 /nfs/dbraw/zinc/25/05/64/132250564.db2.gz DNZSGYXMKLNXQD-CYBMUJFWSA-N 1 2 247.386 3.535 20 0 BHADLO CC[C@H]1CCCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC000301065040 132250813 /nfs/dbraw/zinc/25/08/13/132250813.db2.gz DNZSGYXMKLNXQD-ZDUSSCGKSA-N 1 2 247.386 3.535 20 0 BHADLO CN(Cc1cccc2ccccc21)c1cccc[nH+]1 ZINC000301068783 386815693 /nfs/dbraw/zinc/81/56/93/386815693.db2.gz GHAFHLZLTXCOBR-UHFFFAOYSA-N 1 2 248.329 3.871 20 0 BHADLO c1ccc(C2(CNc3cccc[nH+]3)CCC2)cc1 ZINC000301070986 183388082 /nfs/dbraw/zinc/38/80/82/183388082.db2.gz HXBBCPPVYLFGEQ-UHFFFAOYSA-N 1 2 238.334 3.615 20 0 BHADLO CN(CCCCc1ccccc1)c1cccc[nH+]1 ZINC000301080077 386814577 /nfs/dbraw/zinc/81/45/77/386814577.db2.gz JQUVMZZSPHVHQS-UHFFFAOYSA-N 1 2 240.350 3.541 20 0 BHADLO Cc1cc(N2CCC[C@@H](C)CC2)nc(C(C)C)[nH+]1 ZINC000301093242 178114524 /nfs/dbraw/zinc/11/45/24/178114524.db2.gz LLEVRTDVWNPYLK-GFCCVEGCSA-N 1 2 247.386 3.535 20 0 BHADLO Cc1cc(N2CCC[C@H](C)CC2)nc(C(C)C)[nH+]1 ZINC000301093243 178116239 /nfs/dbraw/zinc/11/62/39/178116239.db2.gz LLEVRTDVWNPYLK-LBPRGKRZSA-N 1 2 247.386 3.535 20 0 BHADLO c1ccc(NCCc2ccc3ccccc3c2)[nH+]c1 ZINC000301104340 386817229 /nfs/dbraw/zinc/81/72/29/386817229.db2.gz MMWLZEHCHICCIU-UHFFFAOYSA-N 1 2 248.329 3.889 20 0 BHADLO Clc1cccc(CCCNc2cccc[nH+]2)c1 ZINC000301107272 386817834 /nfs/dbraw/zinc/81/78/34/386817834.db2.gz QHWZJLSSMBSHAM-UHFFFAOYSA-N 1 2 246.741 3.780 20 0 BHADLO c1ccc(NCCc2cccc3ccccc32)[nH+]c1 ZINC000301114530 183415674 /nfs/dbraw/zinc/41/56/74/183415674.db2.gz QCPHHAOCFCLKGW-UHFFFAOYSA-N 1 2 248.329 3.889 20 0 BHADLO CC[C@@H]1CCCCN1c1cc(C)[nH+]c(C(C)C)n1 ZINC000301116823 132251098 /nfs/dbraw/zinc/25/10/98/132251098.db2.gz YOUCURUZCFLSCJ-CYBMUJFWSA-N 1 2 247.386 3.677 20 0 BHADLO CC[C@H]1CCCCN1c1cc(C)[nH+]c(C(C)C)n1 ZINC000301116826 132251311 /nfs/dbraw/zinc/25/13/11/132251311.db2.gz YOUCURUZCFLSCJ-ZDUSSCGKSA-N 1 2 247.386 3.677 20 0 BHADLO Clc1cccc2c1CC[C@H]2Nc1cccc[nH+]1 ZINC000301120921 386818033 /nfs/dbraw/zinc/81/80/33/386818033.db2.gz XNXSVFASHBMZTM-CYBMUJFWSA-N 1 2 244.725 3.834 20 0 BHADLO Clc1cccc2c1CC[C@@H]2Nc1cccc[nH+]1 ZINC000301120923 386818348 /nfs/dbraw/zinc/81/83/48/386818348.db2.gz XNXSVFASHBMZTM-ZDUSSCGKSA-N 1 2 244.725 3.834 20 0 BHADLO CC(C)(CNc1cccc[nH+]1)c1ccccc1F ZINC000301125990 187371314 /nfs/dbraw/zinc/37/13/14/187371314.db2.gz OHWGYIOUCMSWTK-UHFFFAOYSA-N 1 2 244.313 3.610 20 0 BHADLO c1ccc(NC[C@@H]2CCCc3ccccc32)[nH+]c1 ZINC000301129755 386820251 /nfs/dbraw/zinc/82/02/51/386820251.db2.gz ZMYGRSNTFWPNCS-AWEZNQCLSA-N 1 2 238.334 3.614 20 0 BHADLO c1ccc(NC[C@H]2CCCc3ccccc32)[nH+]c1 ZINC000301129756 386820699 /nfs/dbraw/zinc/82/06/99/386820699.db2.gz ZMYGRSNTFWPNCS-CQSZACIVSA-N 1 2 238.334 3.614 20 0 BHADLO Clc1ccc(CCCNc2cccc[nH+]2)cc1 ZINC000301130215 386820617 /nfs/dbraw/zinc/82/06/17/386820617.db2.gz QSBVOGAOEVHYDR-UHFFFAOYSA-N 1 2 246.741 3.780 20 0 BHADLO Cc1ccccc1C(C)(C)CNc1cccc[nH+]1 ZINC000301150126 179253266 /nfs/dbraw/zinc/25/32/66/179253266.db2.gz OHZBTOGFARAGAE-UHFFFAOYSA-N 1 2 240.350 3.780 20 0 BHADLO Cc1cc(C)cc([C@@H](C)Nc2cccc[nH+]2)c1 ZINC000301174246 386822047 /nfs/dbraw/zinc/82/20/47/386822047.db2.gz FQRYGSOBEHOGAJ-CYBMUJFWSA-N 1 2 226.323 3.872 20 0 BHADLO Cc1cc(C)cc([C@H](C)Nc2cccc[nH+]2)c1 ZINC000301174247 386822556 /nfs/dbraw/zinc/82/25/56/386822556.db2.gz FQRYGSOBEHOGAJ-ZDUSSCGKSA-N 1 2 226.323 3.872 20 0 BHADLO Cc1ccccc1C1(CNc2cccc[nH+]2)CC1 ZINC000301187527 136264993 /nfs/dbraw/zinc/26/49/93/136264993.db2.gz PZIWSAPHRPLENS-UHFFFAOYSA-N 1 2 238.334 3.534 20 0 BHADLO CCN(c1cc[nH+]c(C2CC2)n1)C1CCCCC1 ZINC000301210849 356510979 /nfs/dbraw/zinc/51/09/79/356510979.db2.gz VBEXZPWWGYFTRJ-UHFFFAOYSA-N 1 2 245.370 3.513 20 0 BHADLO CC(C)(CNc1cccc[nH+]1)c1ccc(F)cc1 ZINC000301211009 386826156 /nfs/dbraw/zinc/82/61/56/386826156.db2.gz UZINHTZPIMJZPK-UHFFFAOYSA-N 1 2 244.313 3.610 20 0 BHADLO Cc1ccc(C[C@H](C)Nc2cccc[nH+]2)c(C)c1 ZINC000301212399 386825411 /nfs/dbraw/zinc/82/54/11/386825411.db2.gz VNAFINIALVJXAH-AWEZNQCLSA-N 1 2 240.350 3.742 20 0 BHADLO Cc1ccc(C[C@@H](C)Nc2cccc[nH+]2)c(C)c1 ZINC000301212400 386826064 /nfs/dbraw/zinc/82/60/64/386826064.db2.gz VNAFINIALVJXAH-CQSZACIVSA-N 1 2 240.350 3.742 20 0 BHADLO CC(C)CC[C@@H](C)Nc1cc[nH+]c(C2CC2)n1 ZINC000301226057 386826570 /nfs/dbraw/zinc/82/65/70/386826570.db2.gz FZLXRYSHMBLIAK-LLVKDONJSA-N 1 2 233.359 3.591 20 0 BHADLO CC(C)CC[C@H](C)Nc1cc[nH+]c(C2CC2)n1 ZINC000301226058 356512056 /nfs/dbraw/zinc/51/20/56/356512056.db2.gz FZLXRYSHMBLIAK-NSHDSACASA-N 1 2 233.359 3.591 20 0 BHADLO Cc1cc(NCc2ccc3ccccc3c2)nc[nH+]1 ZINC000301241758 178172725 /nfs/dbraw/zinc/17/27/25/178172725.db2.gz MQASTGZOIMFVOS-UHFFFAOYSA-N 1 2 249.317 3.550 20 0 BHADLO c1cc(NCCC2=CCCCC2)nc(C2CC2)[nH+]1 ZINC000301243356 386827632 /nfs/dbraw/zinc/82/76/32/386827632.db2.gz NDNBLENFOKAERO-UHFFFAOYSA-N 1 2 243.354 3.656 20 0 BHADLO Cc1cccc([C@@H](C)Nc2cccc[nH+]2)c1C ZINC000301253983 179183700 /nfs/dbraw/zinc/18/37/00/179183700.db2.gz CZIVZFXVELWBQG-CYBMUJFWSA-N 1 2 226.323 3.872 20 0 BHADLO Cc1cccc([C@H](C)Nc2cccc[nH+]2)c1C ZINC000301253985 179197895 /nfs/dbraw/zinc/19/78/95/179197895.db2.gz CZIVZFXVELWBQG-ZDUSSCGKSA-N 1 2 226.323 3.872 20 0 BHADLO Cc1c2ccccc2oc1CNc1cccc[nH+]1 ZINC000301256132 386829388 /nfs/dbraw/zinc/82/93/88/386829388.db2.gz DIUWUAIVDIMFKR-UHFFFAOYSA-N 1 2 238.290 3.748 20 0 BHADLO Cc1cc(N2CCCC(C)(C)C2)nc(C(C)C)[nH+]1 ZINC000301269705 132252097 /nfs/dbraw/zinc/25/20/97/132252097.db2.gz XNUVNDFWWVBLII-UHFFFAOYSA-N 1 2 247.386 3.535 20 0 BHADLO CCCCC[C@@H](C)Nc1cc[nH+]c(C2CC2)n1 ZINC000301272778 386830580 /nfs/dbraw/zinc/83/05/80/386830580.db2.gz YMDCPUYUOAYBQD-LLVKDONJSA-N 1 2 233.359 3.735 20 0 BHADLO CCCCC[C@H](C)Nc1cc[nH+]c(C2CC2)n1 ZINC000301272780 386830805 /nfs/dbraw/zinc/83/08/05/386830805.db2.gz YMDCPUYUOAYBQD-NSHDSACASA-N 1 2 233.359 3.735 20 0 BHADLO Cc1cc(N[C@H](c2ccccc2)C(C)C)nc[nH+]1 ZINC000301280548 178187974 /nfs/dbraw/zinc/18/79/74/178187974.db2.gz XKYPLQDJRNYGJK-HNNXBMFYSA-N 1 2 241.338 3.594 20 0 BHADLO Cc1cc(N[C@@H](c2ccccc2)C(C)C)nc[nH+]1 ZINC000301280550 178180384 /nfs/dbraw/zinc/18/03/84/178180384.db2.gz XKYPLQDJRNYGJK-OAHLLOKOSA-N 1 2 241.338 3.594 20 0 BHADLO CC(C)(CNc1cccc[nH+]1)c1cccc(F)c1 ZINC000301285443 386832249 /nfs/dbraw/zinc/83/22/49/386832249.db2.gz MNDHRNXXLUUOJB-UHFFFAOYSA-N 1 2 244.313 3.610 20 0 BHADLO CC(C)(CNc1cccc[nH+]1)Cc1ccccc1 ZINC000301290609 386832125 /nfs/dbraw/zinc/83/21/25/386832125.db2.gz OVKHYFDHFKNZTQ-UHFFFAOYSA-N 1 2 240.350 3.762 20 0 BHADLO CN(c1cc[nH+]c(C2CC2)n1)C1CCCCCC1 ZINC000301294240 411493543 /nfs/dbraw/zinc/49/35/43/411493543.db2.gz UZVNMWMPPFXGOE-UHFFFAOYSA-N 1 2 245.370 3.513 20 0 BHADLO Cc1cc(C)cc([C@@H](C)Nc2cc(C)[nH+]cn2)c1 ZINC000301294697 386833494 /nfs/dbraw/zinc/83/34/94/386833494.db2.gz XVVWCAPETLFNKA-CYBMUJFWSA-N 1 2 241.338 3.575 20 0 BHADLO Cc1cc(C)cc([C@H](C)Nc2cc(C)[nH+]cn2)c1 ZINC000301294698 386833538 /nfs/dbraw/zinc/83/35/38/386833538.db2.gz XVVWCAPETLFNKA-ZDUSSCGKSA-N 1 2 241.338 3.575 20 0 BHADLO CC(C)(C)[C@@H]1CCCN(c2cccc[nH+]2)CC1 ZINC000301308622 386833092 /nfs/dbraw/zinc/83/30/92/386833092.db2.gz CXKMICUCCQQSAS-CYBMUJFWSA-N 1 2 232.371 3.734 20 0 BHADLO CC(C)(C)[C@H]1CCCN(c2cccc[nH+]2)CC1 ZINC000301308623 386835074 /nfs/dbraw/zinc/83/50/74/386835074.db2.gz CXKMICUCCQQSAS-ZDUSSCGKSA-N 1 2 232.371 3.734 20 0 BHADLO Cc1cc(N[C@H](C)c2cccc(C)c2C)nc[nH+]1 ZINC000301309962 178186783 /nfs/dbraw/zinc/18/67/83/178186783.db2.gz YLHWCPMGJYMPDX-CYBMUJFWSA-N 1 2 241.338 3.575 20 0 BHADLO Cc1cc(N[C@@H](C)c2cccc(C)c2C)nc[nH+]1 ZINC000301309963 178178824 /nfs/dbraw/zinc/17/88/24/178178824.db2.gz YLHWCPMGJYMPDX-ZDUSSCGKSA-N 1 2 241.338 3.575 20 0 BHADLO c1ccc(C[C@H](Nc2cccc[nH+]2)C2CC2)cc1 ZINC000301320581 386833875 /nfs/dbraw/zinc/83/38/75/386833875.db2.gz GEQWDPZXTVCMRU-HNNXBMFYSA-N 1 2 238.334 3.515 20 0 BHADLO c1ccc(C[C@@H](Nc2cccc[nH+]2)C2CC2)cc1 ZINC000301320582 386834690 /nfs/dbraw/zinc/83/46/90/386834690.db2.gz GEQWDPZXTVCMRU-OAHLLOKOSA-N 1 2 238.334 3.515 20 0 BHADLO Cc1cccc([C@H](C)CNc2cccc[nH+]2)c1 ZINC000301353737 179193015 /nfs/dbraw/zinc/19/30/15/179193015.db2.gz MGMGGZSPRFSQRB-CYBMUJFWSA-N 1 2 226.323 3.606 20 0 BHADLO Cc1cccc([C@@H](C)CNc2cccc[nH+]2)c1 ZINC000301353738 179178740 /nfs/dbraw/zinc/17/87/40/179178740.db2.gz MGMGGZSPRFSQRB-ZDUSSCGKSA-N 1 2 226.323 3.606 20 0 BHADLO C[C@H](CCC(C)(C)C)Nc1cccc[nH+]1 ZINC000301358551 384871372 /nfs/dbraw/zinc/87/13/72/384871372.db2.gz ZMHZCCHIFUVOQS-LLVKDONJSA-N 1 2 206.333 3.708 20 0 BHADLO C[C@@H](CCC(C)(C)C)Nc1cccc[nH+]1 ZINC000301358552 384872446 /nfs/dbraw/zinc/87/24/46/384872446.db2.gz ZMHZCCHIFUVOQS-NSHDSACASA-N 1 2 206.333 3.708 20 0 BHADLO CC[C@H](Nc1cc(C)[nH+]cn1)c1ccc(C)cc1 ZINC000301367458 386841352 /nfs/dbraw/zinc/84/13/52/386841352.db2.gz QYRNKAFVVVEPHW-AWEZNQCLSA-N 1 2 241.338 3.657 20 0 BHADLO CC[C@@H](Nc1cc(C)[nH+]cn1)c1ccc(C)cc1 ZINC000301367459 356529309 /nfs/dbraw/zinc/52/93/09/356529309.db2.gz QYRNKAFVVVEPHW-CQSZACIVSA-N 1 2 241.338 3.657 20 0 BHADLO Cc1ccc([C@H](C)CNc2cccc[nH+]2)cc1 ZINC000301390785 386841363 /nfs/dbraw/zinc/84/13/63/386841363.db2.gz ZHZITSDHLRXQTR-CYBMUJFWSA-N 1 2 226.323 3.606 20 0 BHADLO Cc1ccc([C@@H](C)CNc2cccc[nH+]2)cc1 ZINC000301390786 386840942 /nfs/dbraw/zinc/84/09/42/386840942.db2.gz ZHZITSDHLRXQTR-ZDUSSCGKSA-N 1 2 226.323 3.606 20 0 BHADLO C[C@@H](Nc1cc[nH+]c(C2CC2)n1)C1CCCCC1 ZINC000301415168 386841884 /nfs/dbraw/zinc/84/18/84/386841884.db2.gz LQWSZOVFXCCORR-LLVKDONJSA-N 1 2 245.370 3.735 20 0 BHADLO C[C@H](Nc1cc[nH+]c(C2CC2)n1)C1CCCCC1 ZINC000301415169 386843468 /nfs/dbraw/zinc/84/34/68/386843468.db2.gz LQWSZOVFXCCORR-NSHDSACASA-N 1 2 245.370 3.735 20 0 BHADLO C[C@@H](c1cc(F)ccc1F)N(C)c1cccc[nH+]1 ZINC000301506638 176013339 /nfs/dbraw/zinc/01/33/39/176013339.db2.gz HCLSIXIFPFHJOR-JTQLQIEISA-N 1 2 248.276 3.557 20 0 BHADLO C[C@H](c1cc(F)ccc1F)N(C)c1cccc[nH+]1 ZINC000301506639 177031889 /nfs/dbraw/zinc/03/18/89/177031889.db2.gz HCLSIXIFPFHJOR-SNVBAGLBSA-N 1 2 248.276 3.557 20 0 BHADLO Cc1ccc([C@@H](C)N(C)c2cccc[nH+]2)cc1 ZINC000301514127 386851583 /nfs/dbraw/zinc/85/15/83/386851583.db2.gz JGGZDOGBXLFTOX-CYBMUJFWSA-N 1 2 226.323 3.587 20 0 BHADLO Cc1ccc([C@H](C)N(C)c2cccc[nH+]2)cc1 ZINC000301514128 386851172 /nfs/dbraw/zinc/85/11/72/386851172.db2.gz JGGZDOGBXLFTOX-ZDUSSCGKSA-N 1 2 226.323 3.587 20 0 BHADLO CC[C@@H](C)CN(C)c1cc(C(F)(F)F)cc[nH+]1 ZINC000301518316 386850584 /nfs/dbraw/zinc/85/05/84/386850584.db2.gz MJHUYDKLXKDKGY-SECBINFHSA-N 1 2 246.276 3.583 20 0 BHADLO CC[C@H](C)CN(C)c1cc(C(F)(F)F)cc[nH+]1 ZINC000301518317 171276163 /nfs/dbraw/zinc/27/61/63/171276163.db2.gz MJHUYDKLXKDKGY-VIFPVBQESA-N 1 2 246.276 3.583 20 0 BHADLO CCCOC1(CNc2cccc[nH+]2)CCCCC1 ZINC000301524201 169301263 /nfs/dbraw/zinc/30/12/63/169301263.db2.gz IDXMRHIPFAYPCH-UHFFFAOYSA-N 1 2 248.370 3.623 20 0 BHADLO Cc1cccc([C@@H]2CCCN2c2cccc[nH+]2)c1 ZINC000301531796 179190193 /nfs/dbraw/zinc/19/01/93/179190193.db2.gz PQOHMJDUIIHTMI-HNNXBMFYSA-N 1 2 238.334 3.732 20 0 BHADLO Cc1cccc([C@H]2CCCN2c2cccc[nH+]2)c1 ZINC000301531797 179204564 /nfs/dbraw/zinc/20/45/64/179204564.db2.gz PQOHMJDUIIHTMI-OAHLLOKOSA-N 1 2 238.334 3.732 20 0 BHADLO CC(C)(C)c1nc(NC2CCCCC2)cc[nH+]1 ZINC000301533392 187371621 /nfs/dbraw/zinc/37/16/21/187371621.db2.gz LVVPMGSPVRHHFC-UHFFFAOYSA-N 1 2 233.359 3.519 20 0 BHADLO CN(CC(C)(C)C)c1cc(C(F)(F)F)cc[nH+]1 ZINC000301540983 386854673 /nfs/dbraw/zinc/85/46/73/386854673.db2.gz VHZZSFZSZDTFAY-UHFFFAOYSA-N 1 2 246.276 3.583 20 0 BHADLO CCS[C@H]1CCCC[C@H]1Nc1cccc[nH+]1 ZINC000301543038 384890546 /nfs/dbraw/zinc/89/05/46/384890546.db2.gz KKORUFKQXLKWGJ-NEPJUHHUSA-N 1 2 236.384 3.558 20 0 BHADLO CCS[C@@H]1CCCC[C@@H]1Nc1cccc[nH+]1 ZINC000301543040 384890387 /nfs/dbraw/zinc/89/03/87/384890387.db2.gz KKORUFKQXLKWGJ-NWDGAFQWSA-N 1 2 236.384 3.558 20 0 BHADLO CCS[C@H]1CCCC[C@@H]1Nc1cccc[nH+]1 ZINC000301543042 384890988 /nfs/dbraw/zinc/89/09/88/384890988.db2.gz KKORUFKQXLKWGJ-RYUDHWBXSA-N 1 2 236.384 3.558 20 0 BHADLO CCS[C@@H]1CCCC[C@H]1Nc1cccc[nH+]1 ZINC000301543044 384891509 /nfs/dbraw/zinc/89/15/09/384891509.db2.gz KKORUFKQXLKWGJ-VXGBXAGGSA-N 1 2 236.384 3.558 20 0 BHADLO CC(C)CCN(C)c1cc(C(F)(F)F)cc[nH+]1 ZINC000301549663 386852792 /nfs/dbraw/zinc/85/27/92/386852792.db2.gz XWBOMTSLZDLGJE-UHFFFAOYSA-N 1 2 246.276 3.583 20 0 BHADLO CCS[C@H]1CCC[C@@H](Nc2cccc[nH+]2)C1 ZINC000301553009 384893302 /nfs/dbraw/zinc/89/33/02/384893302.db2.gz RKPPYKKZUIFBJB-NEPJUHHUSA-N 1 2 236.384 3.558 20 0 BHADLO CCS[C@@H]1CCC[C@H](Nc2cccc[nH+]2)C1 ZINC000301553012 384893395 /nfs/dbraw/zinc/89/33/95/384893395.db2.gz RKPPYKKZUIFBJB-NWDGAFQWSA-N 1 2 236.384 3.558 20 0 BHADLO CCS[C@H]1CCC[C@H](Nc2cccc[nH+]2)C1 ZINC000301553015 384894978 /nfs/dbraw/zinc/89/49/78/384894978.db2.gz RKPPYKKZUIFBJB-RYUDHWBXSA-N 1 2 236.384 3.558 20 0 BHADLO CCS[C@@H]1CCC[C@@H](Nc2cccc[nH+]2)C1 ZINC000301553018 384893916 /nfs/dbraw/zinc/89/39/16/384893916.db2.gz RKPPYKKZUIFBJB-VXGBXAGGSA-N 1 2 236.384 3.558 20 0 BHADLO C[C@H](c1cccc(Cl)c1)N(C)c1cccc[nH+]1 ZINC000301560791 177036498 /nfs/dbraw/zinc/03/64/98/177036498.db2.gz XYWPVZQACUKHQX-LLVKDONJSA-N 1 2 246.741 3.932 20 0 BHADLO C[C@@H](c1cccc(Cl)c1)N(C)c1cccc[nH+]1 ZINC000301560792 176018018 /nfs/dbraw/zinc/01/80/18/176018018.db2.gz XYWPVZQACUKHQX-NSHDSACASA-N 1 2 246.741 3.932 20 0 BHADLO Cc1cc2ccccc2[nH+]c1N1CCC[C@@H](C)C1 ZINC000301561143 132254936 /nfs/dbraw/zinc/25/49/36/132254936.db2.gz KJYSFKPHCLOVPL-GFCCVEGCSA-N 1 2 240.350 3.780 20 0 BHADLO Cc1cc2ccccc2[nH+]c1N1CCC[C@H](C)C1 ZINC000301561145 132254955 /nfs/dbraw/zinc/25/49/55/132254955.db2.gz KJYSFKPHCLOVPL-LBPRGKRZSA-N 1 2 240.350 3.780 20 0 BHADLO CC(C)(C)c1nc(NC[C@@H]2CC=CCC2)cc[nH+]1 ZINC000301563187 187206532 /nfs/dbraw/zinc/20/65/32/187206532.db2.gz YKUKZEGFTPNBPS-GFCCVEGCSA-N 1 2 245.370 3.542 20 0 BHADLO CC(C)(C)c1nc(NC[C@H]2CC=CCC2)cc[nH+]1 ZINC000301563190 187371372 /nfs/dbraw/zinc/37/13/72/187371372.db2.gz YKUKZEGFTPNBPS-LBPRGKRZSA-N 1 2 245.370 3.542 20 0 BHADLO Cc1cc2ccccc2[nH+]c1N1CCCCCC1 ZINC000301568258 178298752 /nfs/dbraw/zinc/29/87/52/178298752.db2.gz MYRAUIQUWHNPPH-UHFFFAOYSA-N 1 2 240.350 3.924 20 0 BHADLO CCCC[C@@H](Nc1cc(C)[nH+]cn1)C1CCC1 ZINC000301588240 356550702 /nfs/dbraw/zinc/55/07/02/356550702.db2.gz BYGSDGABRPXBNW-CYBMUJFWSA-N 1 2 233.359 3.556 20 0 BHADLO CCCC[C@H](Nc1cc(C)[nH+]cn1)C1CCC1 ZINC000301588241 169013330 /nfs/dbraw/zinc/01/33/30/169013330.db2.gz BYGSDGABRPXBNW-ZDUSSCGKSA-N 1 2 233.359 3.556 20 0 BHADLO C[C@H](Nc1cc[nH+]c(C(C)(C)C)n1)C(C)(C)C ZINC000301591937 386857917 /nfs/dbraw/zinc/85/79/17/386857917.db2.gz YLIXVECMIKUYLK-JTQLQIEISA-N 1 2 235.375 3.621 20 0 BHADLO C[C@@H](Nc1cc[nH+]c(C(C)(C)C)n1)C(C)(C)C ZINC000301591938 386859304 /nfs/dbraw/zinc/85/93/04/386859304.db2.gz YLIXVECMIKUYLK-SNVBAGLBSA-N 1 2 235.375 3.621 20 0 BHADLO CC(C)CC1(CNc2cc[nH+]c(C3CC3)n2)CC1 ZINC000301607565 386859059 /nfs/dbraw/zinc/85/90/59/386859059.db2.gz NUAPESNNALVWFD-UHFFFAOYSA-N 1 2 245.370 3.592 20 0 BHADLO CSc1cc(C)ccc1CNc1cccc[nH+]1 ZINC000301614801 386859911 /nfs/dbraw/zinc/85/99/11/386859911.db2.gz USJXZSRLBWFZRP-UHFFFAOYSA-N 1 2 244.363 3.724 20 0 BHADLO Cc1cc(N2CCCCC[C@H]2C)nc(C(C)C)[nH+]1 ZINC000301636999 178112805 /nfs/dbraw/zinc/11/28/05/178112805.db2.gz FLPSPPMVLRZXGB-CYBMUJFWSA-N 1 2 247.386 3.677 20 0 BHADLO Cc1cc(N2CCCCC[C@@H]2C)nc(C(C)C)[nH+]1 ZINC000301637002 178111995 /nfs/dbraw/zinc/11/19/95/178111995.db2.gz FLPSPPMVLRZXGB-ZDUSSCGKSA-N 1 2 247.386 3.677 20 0 BHADLO Cc1cc(N2CCC[C@H](C)[C@@H]2C)nc(C(C)C)[nH+]1 ZINC000301645977 132255963 /nfs/dbraw/zinc/25/59/63/132255963.db2.gz HWXYRQZRDRQQGQ-AAEUAGOBSA-N 1 2 247.386 3.533 20 0 BHADLO Cc1cc(N2CCC[C@@H](C)[C@H]2C)nc(C(C)C)[nH+]1 ZINC000301645978 132255769 /nfs/dbraw/zinc/25/57/69/132255769.db2.gz HWXYRQZRDRQQGQ-DGCLKSJQSA-N 1 2 247.386 3.533 20 0 BHADLO Cc1cc(N2CCC[C@H](C)[C@H]2C)nc(C(C)C)[nH+]1 ZINC000301645979 132256020 /nfs/dbraw/zinc/25/60/20/132256020.db2.gz HWXYRQZRDRQQGQ-WCQYABFASA-N 1 2 247.386 3.533 20 0 BHADLO Cc1cc(N2CCC[C@@H](C)[C@@H]2C)nc(C(C)C)[nH+]1 ZINC000301645980 132255900 /nfs/dbraw/zinc/25/59/00/132255900.db2.gz HWXYRQZRDRQQGQ-YPMHNXCESA-N 1 2 247.386 3.533 20 0 BHADLO Cc1cc(N(C)C2CCC2)c2cccc(F)c2[nH+]1 ZINC000301656427 178097590 /nfs/dbraw/zinc/09/75/90/178097590.db2.gz HYAWNUWGQOUYMS-UHFFFAOYSA-N 1 2 244.313 3.671 20 0 BHADLO Cc1cc(N(C)CC2CC2)c2cccc(F)c2[nH+]1 ZINC000301661394 178096833 /nfs/dbraw/zinc/09/68/33/178096833.db2.gz JQNSUVAGMMKZGF-UHFFFAOYSA-N 1 2 244.313 3.529 20 0 BHADLO Cc1cc(N(C)[C@H](C)C2(C)CC2)nc(C(C)C)[nH+]1 ZINC000301667817 178101011 /nfs/dbraw/zinc/10/10/11/178101011.db2.gz PDEIXQVFAUJJPX-GFCCVEGCSA-N 1 2 247.386 3.533 20 0 BHADLO Cc1cc(N(C)[C@@H](C)C2(C)CC2)nc(C(C)C)[nH+]1 ZINC000301667818 178099913 /nfs/dbraw/zinc/09/99/13/178099913.db2.gz PDEIXQVFAUJJPX-LBPRGKRZSA-N 1 2 247.386 3.533 20 0 BHADLO Cc1cc(N2C[C@@H](C)CC[C@@H]2C)nc(C(C)C)[nH+]1 ZINC000301673957 132256212 /nfs/dbraw/zinc/25/62/12/132256212.db2.gz RORFXHPGCPYUKQ-AAEUAGOBSA-N 1 2 247.386 3.533 20 0 BHADLO Cc1cc(N2C[C@H](C)CC[C@H]2C)nc(C(C)C)[nH+]1 ZINC000301673958 132256391 /nfs/dbraw/zinc/25/63/91/132256391.db2.gz RORFXHPGCPYUKQ-DGCLKSJQSA-N 1 2 247.386 3.533 20 0 BHADLO Cc1cc(N2C[C@@H](C)CC[C@H]2C)nc(C(C)C)[nH+]1 ZINC000301673959 132256460 /nfs/dbraw/zinc/25/64/60/132256460.db2.gz RORFXHPGCPYUKQ-WCQYABFASA-N 1 2 247.386 3.533 20 0 BHADLO Cc1cc(N2C[C@H](C)CC[C@@H]2C)nc(C(C)C)[nH+]1 ZINC000301673960 132256157 /nfs/dbraw/zinc/25/61/57/132256157.db2.gz RORFXHPGCPYUKQ-YPMHNXCESA-N 1 2 247.386 3.533 20 0 BHADLO Cc1cc(N2CCCC[C@H]2CCC(C)C)nc[nH+]1 ZINC000301676763 132256218 /nfs/dbraw/zinc/25/62/18/132256218.db2.gz SRCCPRKPPLVDKJ-AWEZNQCLSA-N 1 2 247.386 3.580 20 0 BHADLO Cc1cc(N2CCCC[C@@H]2CCC(C)C)nc[nH+]1 ZINC000301676764 132256417 /nfs/dbraw/zinc/25/64/17/132256417.db2.gz SRCCPRKPPLVDKJ-CQSZACIVSA-N 1 2 247.386 3.580 20 0 BHADLO Cc1cc(N2CC[C@H](C)C2)c2cccc(F)c2[nH+]1 ZINC000301685772 178119502 /nfs/dbraw/zinc/11/95/02/178119502.db2.gz ULMOVUDMAHGGTE-JTQLQIEISA-N 1 2 244.313 3.529 20 0 BHADLO Cc1cc(N2CC[C@@H](C)C2)c2cccc(F)c2[nH+]1 ZINC000301685775 178118266 /nfs/dbraw/zinc/11/82/66/178118266.db2.gz ULMOVUDMAHGGTE-SNVBAGLBSA-N 1 2 244.313 3.529 20 0 BHADLO CC[C@@H]1CCN(c2[nH+]c3ccccc3cc2C)C1 ZINC000301694458 171016764 /nfs/dbraw/zinc/01/67/64/171016764.db2.gz ALRSFUCFCOVISI-CYBMUJFWSA-N 1 2 240.350 3.780 20 0 BHADLO CC[C@H]1CCN(c2[nH+]c3ccccc3cc2C)C1 ZINC000301694623 386868765 /nfs/dbraw/zinc/86/87/65/386868765.db2.gz ALRSFUCFCOVISI-ZDUSSCGKSA-N 1 2 240.350 3.780 20 0 BHADLO Cc1cc(NCC2CC2)c2cccc(F)c2[nH+]1 ZINC000301697851 178158387 /nfs/dbraw/zinc/15/83/87/178158387.db2.gz ZXHUYRBGVNMCKV-UHFFFAOYSA-N 1 2 230.286 3.504 20 0 BHADLO Cc1cc2ccccc2[nH+]c1N1C[C@H](C)[C@H](C)C1 ZINC000301708455 178299451 /nfs/dbraw/zinc/29/94/51/178299451.db2.gz HBXQLVYMQHGYQK-BETUJISGSA-N 1 2 240.350 3.635 20 0 BHADLO Cc1cc2ccccc2[nH+]c1N1C[C@@H](C)[C@H](C)C1 ZINC000301708456 178298955 /nfs/dbraw/zinc/29/89/55/178298955.db2.gz HBXQLVYMQHGYQK-CHWSQXEVSA-N 1 2 240.350 3.635 20 0 BHADLO Cc1cc2ccccc2[nH+]c1N1C[C@H](C)[C@@H](C)C1 ZINC000301708457 178298865 /nfs/dbraw/zinc/29/88/65/178298865.db2.gz HBXQLVYMQHGYQK-STQMWFEESA-N 1 2 240.350 3.635 20 0 BHADLO Cc1cc(NC2CC=CC2)c2cccc(F)c2[nH+]1 ZINC000301708847 178154889 /nfs/dbraw/zinc/15/48/89/178154889.db2.gz JMHGPEJZAPUQJX-UHFFFAOYSA-N 1 2 242.297 3.813 20 0 BHADLO Cc1cc2ccccc2[nH+]c1N1CC[C@H](C)[C@@H]1C ZINC000301732868 178298743 /nfs/dbraw/zinc/29/87/43/178298743.db2.gz TWTIXVDHMQQYFK-AAEUAGOBSA-N 1 2 240.350 3.778 20 0 BHADLO Cc1cc2ccccc2[nH+]c1N1CC[C@@H](C)[C@H]1C ZINC000301732870 178299339 /nfs/dbraw/zinc/29/93/39/178299339.db2.gz TWTIXVDHMQQYFK-DGCLKSJQSA-N 1 2 240.350 3.778 20 0 BHADLO Cc1cc2ccccc2[nH+]c1N1CC[C@H](C)[C@H]1C ZINC000301732872 178299173 /nfs/dbraw/zinc/29/91/73/178299173.db2.gz TWTIXVDHMQQYFK-WCQYABFASA-N 1 2 240.350 3.778 20 0 BHADLO Cc1cc2ccccc2[nH+]c1N1CC[C@@H](C)[C@@H]1C ZINC000301732873 178299044 /nfs/dbraw/zinc/29/90/44/178299044.db2.gz TWTIXVDHMQQYFK-YPMHNXCESA-N 1 2 240.350 3.778 20 0 BHADLO Cc1cc2ccccc2[nH+]c1N1CCC(C)(C)C1 ZINC000301737007 178298706 /nfs/dbraw/zinc/29/87/06/178298706.db2.gz VOAXXMNANNTORJ-UHFFFAOYSA-N 1 2 240.350 3.780 20 0 BHADLO CC1(C)C[C@H](Nc2cccc[nH+]2)c2ccccc21 ZINC000301750520 188232928 /nfs/dbraw/zinc/23/29/28/188232928.db2.gz IHFQIDSHAHOGAE-AWEZNQCLSA-N 1 2 238.334 3.916 20 0 BHADLO CC1(C)C[C@@H](Nc2cccc[nH+]2)c2ccccc21 ZINC000301750521 356570604 /nfs/dbraw/zinc/57/06/04/356570604.db2.gz IHFQIDSHAHOGAE-CQSZACIVSA-N 1 2 238.334 3.916 20 0 BHADLO c1ccc(CC2(CNc3cccc[nH+]3)CC2)cc1 ZINC000301776022 183390298 /nfs/dbraw/zinc/39/02/98/183390298.db2.gz LGTGSJPWUYBZQW-UHFFFAOYSA-N 1 2 238.334 3.516 20 0 BHADLO CC(C)(C)c1nc(NCCC2=CCCC2)cc[nH+]1 ZINC000301780824 188233095 /nfs/dbraw/zinc/23/30/95/188233095.db2.gz RSMNOJHGNZYTFH-UHFFFAOYSA-N 1 2 245.370 3.686 20 0 BHADLO CC[C@@H](Cc1ccccc1)N(C)c1cccc[nH+]1 ZINC000301789784 386877344 /nfs/dbraw/zinc/87/73/44/386877344.db2.gz WHDHMVRLINUQEP-HNNXBMFYSA-N 1 2 240.350 3.539 20 0 BHADLO CC[C@H](Cc1ccccc1)N(C)c1cccc[nH+]1 ZINC000301789785 386878043 /nfs/dbraw/zinc/87/80/43/386878043.db2.gz WHDHMVRLINUQEP-OAHLLOKOSA-N 1 2 240.350 3.539 20 0 BHADLO CC(C)c1cc(N2CC[C@@H](C)C2)nc(C(C)C)[nH+]1 ZINC000301819678 386882059 /nfs/dbraw/zinc/88/20/59/386882059.db2.gz LCTCXYUAXKDCRD-GFCCVEGCSA-N 1 2 247.386 3.570 20 0 BHADLO CC(C)c1cc(N2CC[C@H](C)C2)nc(C(C)C)[nH+]1 ZINC000301819679 167573507 /nfs/dbraw/zinc/57/35/07/167573507.db2.gz LCTCXYUAXKDCRD-LBPRGKRZSA-N 1 2 247.386 3.570 20 0 BHADLO CC(C)Nc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC000301841653 167145496 /nfs/dbraw/zinc/14/54/96/167145496.db2.gz BZSCNJONPOXGCC-UHFFFAOYSA-N 1 2 221.348 3.544 20 0 BHADLO CC(C)c1cc(N[C@@H]2C[C@H]2C)nc(C(C)C)[nH+]1 ZINC000301845526 386885409 /nfs/dbraw/zinc/88/54/09/386885409.db2.gz ACMWLXUJKOTALO-ZYHUDNBSSA-N 1 2 233.359 3.544 20 0 BHADLO CC(C)c1cc(N(C)C(C)C)nc(C(C)C)[nH+]1 ZINC000301868040 134156807 /nfs/dbraw/zinc/15/68/07/134156807.db2.gz INKQETBNRUPHQB-UHFFFAOYSA-N 1 2 235.375 3.568 20 0 BHADLO CC(C)c1cc(N(C)C2CCC2)nc(C(C)C)[nH+]1 ZINC000301874775 386886979 /nfs/dbraw/zinc/88/69/79/386886979.db2.gz RFWHWQGTJMHZMM-UHFFFAOYSA-N 1 2 247.386 3.712 20 0 BHADLO CC(C)c1cc(NC2CC=CC2)nc(C(C)C)[nH+]1 ZINC000301879658 386887131 /nfs/dbraw/zinc/88/71/31/386887131.db2.gz VEESYUAWXBKLPA-UHFFFAOYSA-N 1 2 245.370 3.854 20 0 BHADLO CC(C)c1cc(NCC2CC2)nc(C(C)C)[nH+]1 ZINC000301887752 167576255 /nfs/dbraw/zinc/57/62/55/167576255.db2.gz REAFPFWCPGDJBP-UHFFFAOYSA-N 1 2 233.359 3.545 20 0 BHADLO C[C@@H](Nc1cccc[nH+]1)c1cccc(F)c1F ZINC000301915130 386891490 /nfs/dbraw/zinc/89/14/90/386891490.db2.gz INBGETVTPFZZRI-SECBINFHSA-N 1 2 234.249 3.533 20 0 BHADLO C[C@H](Nc1cccc[nH+]1)c1cccc(F)c1F ZINC000301915131 386891421 /nfs/dbraw/zinc/89/14/21/386891421.db2.gz INBGETVTPFZZRI-VIFPVBQESA-N 1 2 234.249 3.533 20 0 BHADLO CC(C)c1nc(N2CCCC[C@@H]2C(C)C)cc[nH+]1 ZINC000301976449 534907185 /nfs/dbraw/zinc/90/71/85/534907185.db2.gz MIXUBGLYRGFWLC-CYBMUJFWSA-N 1 2 247.386 3.615 20 0 BHADLO CC(C)c1nc(N2CCCC[C@H]2C(C)C)cc[nH+]1 ZINC000301976450 534907500 /nfs/dbraw/zinc/90/75/00/534907500.db2.gz MIXUBGLYRGFWLC-ZDUSSCGKSA-N 1 2 247.386 3.615 20 0 BHADLO CCC[C@@H]1CCCCN1c1cc[nH+]c(C2CC2)n1 ZINC000302112161 535411223 /nfs/dbraw/zinc/41/12/23/535411223.db2.gz AVAISDRLWVUZKY-CYBMUJFWSA-N 1 2 245.370 3.513 20 0 BHADLO CCC[C@H]1CCCCN1c1cc[nH+]c(C2CC2)n1 ZINC000302112162 132260573 /nfs/dbraw/zinc/26/05/73/132260573.db2.gz AVAISDRLWVUZKY-ZDUSSCGKSA-N 1 2 245.370 3.513 20 0 BHADLO CCC[C@@H]1CCCCN1c1cc[nH+]c(C(C)C)n1 ZINC000302124519 535411401 /nfs/dbraw/zinc/41/14/01/535411401.db2.gz HTSKLTDFOHAYBZ-CYBMUJFWSA-N 1 2 247.386 3.759 20 0 BHADLO CCC[C@H]1CCCCN1c1cc[nH+]c(C(C)C)n1 ZINC000302124520 132260565 /nfs/dbraw/zinc/26/05/65/132260565.db2.gz HTSKLTDFOHAYBZ-ZDUSSCGKSA-N 1 2 247.386 3.759 20 0 BHADLO FC(F)c1ccc(CNc2cccc[nH+]2)cc1 ZINC000302168639 386911472 /nfs/dbraw/zinc/91/14/72/386911472.db2.gz KPSQHJPRNMPRPF-UHFFFAOYSA-N 1 2 234.249 3.631 20 0 BHADLO c1ccc(NCCC2=CCCCCC2)[nH+]c1 ZINC000302192318 191119492 /nfs/dbraw/zinc/11/94/92/191119492.db2.gz MDKWTHLBJIMBJW-UHFFFAOYSA-N 1 2 216.328 3.774 20 0 BHADLO CC(C)c1nc(N[C@H](C)CCC2CC2)cc[nH+]1 ZINC000302217076 386915649 /nfs/dbraw/zinc/91/56/49/386915649.db2.gz JHYYQFKTVYYRJA-LLVKDONJSA-N 1 2 233.359 3.591 20 0 BHADLO CC(C)c1nc(N[C@@H](C)CCC2CC2)cc[nH+]1 ZINC000302217077 386915132 /nfs/dbraw/zinc/91/51/32/386915132.db2.gz JHYYQFKTVYYRJA-NSHDSACASA-N 1 2 233.359 3.591 20 0 BHADLO Cc1cc(N[C@H](C)c2c(C)cccc2C)nc[nH+]1 ZINC000302235083 178185512 /nfs/dbraw/zinc/18/55/12/178185512.db2.gz UPUBGDIRDKOJER-CYBMUJFWSA-N 1 2 241.338 3.575 20 0 BHADLO Cc1cc(N[C@@H](C)c2c(C)cccc2C)nc[nH+]1 ZINC000302235084 178178666 /nfs/dbraw/zinc/17/86/66/178178666.db2.gz UPUBGDIRDKOJER-ZDUSSCGKSA-N 1 2 241.338 3.575 20 0 BHADLO Cc1cccc(C)c1[C@@H](C)Nc1cccc[nH+]1 ZINC000302241215 179049601 /nfs/dbraw/zinc/04/96/01/179049601.db2.gz XWPPTDXJTDHICM-CYBMUJFWSA-N 1 2 226.323 3.872 20 0 BHADLO Cc1cccc(C)c1[C@H](C)Nc1cccc[nH+]1 ZINC000302241216 179049664 /nfs/dbraw/zinc/04/96/64/179049664.db2.gz XWPPTDXJTDHICM-ZDUSSCGKSA-N 1 2 226.323 3.872 20 0 BHADLO COc1cccc2c(NC3CCCC3)cc[nH+]c12 ZINC000302448962 175299674 /nfs/dbraw/zinc/29/96/74/175299674.db2.gz OULRNPWLRNQKNQ-UHFFFAOYSA-N 1 2 242.322 3.598 20 0 BHADLO Cc1cc(N2CCCC[C@@H](C)C2)nc(C(C)C)[nH+]1 ZINC000302463551 178113050 /nfs/dbraw/zinc/11/30/50/178113050.db2.gz VMIAYTJXPOZHCM-GFCCVEGCSA-N 1 2 247.386 3.535 20 0 BHADLO Cc1cc(N2CCCC[C@H](C)C2)nc(C(C)C)[nH+]1 ZINC000302463552 178114028 /nfs/dbraw/zinc/11/40/28/178114028.db2.gz VMIAYTJXPOZHCM-LBPRGKRZSA-N 1 2 247.386 3.535 20 0 BHADLO CC[C@H]1[C@@H](C)CCN1c1cc(C)[nH+]c(C(C)C)n1 ZINC000302463598 386924298 /nfs/dbraw/zinc/92/42/98/386924298.db2.gz VOKHXVGGZAXZCB-AAEUAGOBSA-N 1 2 247.386 3.533 20 0 BHADLO CC[C@@H]1[C@H](C)CCN1c1cc(C)[nH+]c(C(C)C)n1 ZINC000302463599 171160617 /nfs/dbraw/zinc/16/06/17/171160617.db2.gz VOKHXVGGZAXZCB-DGCLKSJQSA-N 1 2 247.386 3.533 20 0 BHADLO CC[C@@H]1[C@@H](C)CCN1c1cc(C)[nH+]c(C(C)C)n1 ZINC000302463600 171157344 /nfs/dbraw/zinc/15/73/44/171157344.db2.gz VOKHXVGGZAXZCB-WCQYABFASA-N 1 2 247.386 3.533 20 0 BHADLO CC[C@H]1[C@H](C)CCN1c1cc(C)[nH+]c(C(C)C)n1 ZINC000302463601 386924020 /nfs/dbraw/zinc/92/40/20/386924020.db2.gz VOKHXVGGZAXZCB-YPMHNXCESA-N 1 2 247.386 3.533 20 0 BHADLO COc1ccc([NH2+]C[C@H]2CCC(F)(F)C2)cc1 ZINC000302479589 592548189 /nfs/dbraw/zinc/54/81/89/592548189.db2.gz QULJFKLFOKEFRG-JTQLQIEISA-N 1 2 241.281 3.543 20 0 BHADLO COc1ccc([NH2+]C[C@@H]2CCC(F)(F)C2)cc1 ZINC000302479590 592548208 /nfs/dbraw/zinc/54/82/08/592548208.db2.gz QULJFKLFOKEFRG-SNVBAGLBSA-N 1 2 241.281 3.543 20 0 BHADLO C[C@H](C[NH2+]c1ccc2c(c1)OCCO2)C(C)(C)C ZINC000302497237 592548524 /nfs/dbraw/zinc/54/85/24/592548524.db2.gz WDDVLQHAWSEBBM-LLVKDONJSA-N 1 2 249.354 3.552 20 0 BHADLO C[C@@H](C[NH2+]c1ccc2c(c1)OCCO2)C(C)(C)C ZINC000302497238 592548299 /nfs/dbraw/zinc/54/82/99/592548299.db2.gz WDDVLQHAWSEBBM-NSHDSACASA-N 1 2 249.354 3.552 20 0 BHADLO CSCc1cccc(CNc2cccc[nH+]2)c1 ZINC000302524223 386925659 /nfs/dbraw/zinc/92/56/59/386925659.db2.gz ZCJCINZUPOOROT-UHFFFAOYSA-N 1 2 244.363 3.557 20 0 BHADLO c1ccc(NCc2ccc(C3CC3)cc2)[nH+]c1 ZINC000302698562 386931914 /nfs/dbraw/zinc/93/19/14/386931914.db2.gz HIYFLMLXVPNKJL-UHFFFAOYSA-N 1 2 224.307 3.571 20 0 BHADLO CC(C)=CCCNc1cc(C(F)(F)F)cc[nH+]1 ZINC000302706445 385015603 /nfs/dbraw/zinc/01/56/03/385015603.db2.gz JOBPXWRVFKJAKS-UHFFFAOYSA-N 1 2 244.260 3.869 20 0 BHADLO CCC1(CC)CCCN(c2cc[nH+]c(C)n2)CC1 ZINC000302739061 386933691 /nfs/dbraw/zinc/93/36/91/386933691.db2.gz CAHPOVBKUZYJSW-UHFFFAOYSA-N 1 2 247.386 3.582 20 0 BHADLO CCC1(CC)CCCN(c2cc(C)[nH+]cn2)CC1 ZINC000302740730 386934141 /nfs/dbraw/zinc/93/41/41/386934141.db2.gz CTKKBDKFWSKWEI-UHFFFAOYSA-N 1 2 247.386 3.582 20 0 BHADLO CC(C)=CCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000302742955 191121291 /nfs/dbraw/zinc/12/12/91/191121291.db2.gz ZUCFJPLGQXMDNJ-UHFFFAOYSA-N 1 2 233.359 3.677 20 0 BHADLO CCN(Cc1ccccc1Cl)c1cccc[nH+]1 ZINC000302826990 356630662 /nfs/dbraw/zinc/63/06/62/356630662.db2.gz NFNNHLJKAQLIJO-UHFFFAOYSA-N 1 2 246.741 3.762 20 0 BHADLO Cc1cc(N[C@H](C)CC2CCCCC2)nc[nH+]1 ZINC000302856669 178185767 /nfs/dbraw/zinc/18/57/67/178185767.db2.gz LZXNPGFLXDZGPX-GFCCVEGCSA-N 1 2 233.359 3.556 20 0 BHADLO c1ccc(NCC2CCCCCCC2)[nH+]c1 ZINC000302942333 644793732 /nfs/dbraw/zinc/79/37/32/644793732.db2.gz ICZLTPMLZTXLOG-UHFFFAOYSA-N 1 2 218.344 3.854 20 0 BHADLO c1ccc(NCCCC2CCCCC2)[nH+]c1 ZINC000302943994 534497198 /nfs/dbraw/zinc/49/71/98/534497198.db2.gz LYAVFQOFCWIXGP-UHFFFAOYSA-N 1 2 218.344 3.854 20 0 BHADLO CCC[N@H+](Cc1cc(C)ccc1C)CC(F)F ZINC000303052004 388851458 /nfs/dbraw/zinc/85/14/58/388851458.db2.gz VPYDPCBBFBOCTB-UHFFFAOYSA-N 1 2 241.325 3.781 20 0 BHADLO CCC[N@@H+](Cc1cc(C)ccc1C)CC(F)F ZINC000303052004 388851456 /nfs/dbraw/zinc/85/14/56/388851456.db2.gz VPYDPCBBFBOCTB-UHFFFAOYSA-N 1 2 241.325 3.781 20 0 BHADLO COCCCCC[N@@H+](C)c1cccc(C)c1C ZINC000303218446 229308546 /nfs/dbraw/zinc/30/85/46/229308546.db2.gz UPCYGAASXXEOLX-UHFFFAOYSA-N 1 2 235.371 3.556 20 0 BHADLO COCCCCC[N@H+](C)c1cccc(C)c1C ZINC000303218446 229308541 /nfs/dbraw/zinc/30/85/41/229308541.db2.gz UPCYGAASXXEOLX-UHFFFAOYSA-N 1 2 235.371 3.556 20 0 BHADLO CCCC[C@@H]1CCC[C@H]1Nc1cccc[nH+]1 ZINC000303413040 528875870 /nfs/dbraw/zinc/87/58/70/528875870.db2.gz VJJSKVLZCAMYLE-CHWSQXEVSA-N 1 2 218.344 3.852 20 0 BHADLO CCCC[C@@H]1CCC[C@@H]1Nc1cccc[nH+]1 ZINC000303413042 528870535 /nfs/dbraw/zinc/87/05/35/528870535.db2.gz VJJSKVLZCAMYLE-OLZOCXBDSA-N 1 2 218.344 3.852 20 0 BHADLO CCCC[C@H]1CCC[C@H]1Nc1cccc[nH+]1 ZINC000303413043 529005621 /nfs/dbraw/zinc/00/56/21/529005621.db2.gz VJJSKVLZCAMYLE-QWHCGFSZSA-N 1 2 218.344 3.852 20 0 BHADLO CCCC[C@H]1CCC[C@@H]1Nc1cccc[nH+]1 ZINC000303413045 529003420 /nfs/dbraw/zinc/00/34/20/529003420.db2.gz VJJSKVLZCAMYLE-STQMWFEESA-N 1 2 218.344 3.852 20 0 BHADLO CC[N@@H+](CC1CCOCC1)c1cc(C)cc(C)c1 ZINC000303521719 323159488 /nfs/dbraw/zinc/15/94/88/323159488.db2.gz PSLVLQNGPYUDTD-UHFFFAOYSA-N 1 2 247.382 3.556 20 0 BHADLO CC[N@H+](CC1CCOCC1)c1cc(C)cc(C)c1 ZINC000303521719 323159487 /nfs/dbraw/zinc/15/94/87/323159487.db2.gz PSLVLQNGPYUDTD-UHFFFAOYSA-N 1 2 247.382 3.556 20 0 BHADLO CCCC[N@H+](Cc1ccccc1)CC(F)F ZINC000303542850 528443993 /nfs/dbraw/zinc/44/39/93/528443993.db2.gz IEWOXDLJVNFNMZ-UHFFFAOYSA-N 1 2 227.298 3.554 20 0 BHADLO CCCC[N@@H+](Cc1ccccc1)CC(F)F ZINC000303542850 528443986 /nfs/dbraw/zinc/44/39/86/528443986.db2.gz IEWOXDLJVNFNMZ-UHFFFAOYSA-N 1 2 227.298 3.554 20 0 BHADLO CC[N@@H+](CC1CCOCC1)c1ccc(C)cc1C ZINC000303543299 644830079 /nfs/dbraw/zinc/83/00/79/644830079.db2.gz UKZJUFKWFXUEGK-UHFFFAOYSA-N 1 2 247.382 3.556 20 0 BHADLO CC[N@H+](CC1CCOCC1)c1ccc(C)cc1C ZINC000303543299 644830076 /nfs/dbraw/zinc/83/00/76/644830076.db2.gz UKZJUFKWFXUEGK-UHFFFAOYSA-N 1 2 247.382 3.556 20 0 BHADLO CC[N@@H+](CCCCCOC)c1ccccc1C ZINC000303638281 323159784 /nfs/dbraw/zinc/15/97/84/323159784.db2.gz HEMTTYDEQNUWNV-UHFFFAOYSA-N 1 2 235.371 3.638 20 0 BHADLO CC[N@H+](CCCCCOC)c1ccccc1C ZINC000303638281 323159783 /nfs/dbraw/zinc/15/97/83/323159783.db2.gz HEMTTYDEQNUWNV-UHFFFAOYSA-N 1 2 235.371 3.638 20 0 BHADLO COCCCC[N@H+](c1cc(C)ccc1C)C(C)C ZINC000303703311 229329251 /nfs/dbraw/zinc/32/92/51/229329251.db2.gz OLXCRDLOBIOMBC-UHFFFAOYSA-N 1 2 249.398 3.945 20 0 BHADLO COCCCC[N@@H+](c1cc(C)ccc1C)C(C)C ZINC000303703311 229329247 /nfs/dbraw/zinc/32/92/47/229329247.db2.gz OLXCRDLOBIOMBC-UHFFFAOYSA-N 1 2 249.398 3.945 20 0 BHADLO CCC[N@H+](Cc1c(C)cccc1C)CC(F)F ZINC000303750240 323160247 /nfs/dbraw/zinc/16/02/47/323160247.db2.gz LLNYOBXYNOIGAT-UHFFFAOYSA-N 1 2 241.325 3.781 20 0 BHADLO CCC[N@@H+](Cc1c(C)cccc1C)CC(F)F ZINC000303750240 323160246 /nfs/dbraw/zinc/16/02/46/323160246.db2.gz LLNYOBXYNOIGAT-UHFFFAOYSA-N 1 2 241.325 3.781 20 0 BHADLO Cc1cccc(C)c1C[N@@H+](CC(F)F)C1CC1 ZINC000303778002 179035135 /nfs/dbraw/zinc/03/51/35/179035135.db2.gz RZMSPFUVSJRPKV-UHFFFAOYSA-N 1 2 239.309 3.533 20 0 BHADLO Cc1cccc(C)c1C[N@H+](CC(F)F)C1CC1 ZINC000303778002 179035132 /nfs/dbraw/zinc/03/51/32/179035132.db2.gz RZMSPFUVSJRPKV-UHFFFAOYSA-N 1 2 239.309 3.533 20 0 BHADLO CCC(CC)Nc1[nH+]ccc(C)c1Cl ZINC000306241643 397963667 /nfs/dbraw/zinc/96/36/67/397963667.db2.gz LJVNGEOCWJAHBA-UHFFFAOYSA-N 1 2 212.724 3.644 20 0 BHADLO Cc1cc[nH+]c(NCCC(C)C)c1Cl ZINC000306302422 259308817 /nfs/dbraw/zinc/30/88/17/259308817.db2.gz AJMFMFCUQAIXCS-UHFFFAOYSA-N 1 2 212.724 3.501 20 0 BHADLO Clc1scc(C[NH+]2CCCC2)c1Cl ZINC000306478769 384982679 /nfs/dbraw/zinc/98/26/79/384982679.db2.gz ZTJUZTGCDHYYTG-UHFFFAOYSA-N 1 2 236.167 3.651 20 0 BHADLO CCCCNc1[nH+]ccc2ccsc21 ZINC000306497883 360231382 /nfs/dbraw/zinc/23/13/82/360231382.db2.gz CFRPTHVYFFYLBU-UHFFFAOYSA-N 1 2 206.314 3.508 20 0 BHADLO Cc1cc[nH+]c(NCC(C)(C)C)c1Cl ZINC000306534502 387266863 /nfs/dbraw/zinc/26/68/63/387266863.db2.gz DWRKAPOXWDIIIW-UHFFFAOYSA-N 1 2 212.724 3.501 20 0 BHADLO Cc1cc[nH+]c(NCc2ccccc2)c1Cl ZINC000306544540 179451985 /nfs/dbraw/zinc/45/19/85/179451985.db2.gz YPKLWLUNOALFTJ-UHFFFAOYSA-N 1 2 232.714 3.656 20 0 BHADLO CC1C[NH+](Cc2csc(Cl)c2Cl)C1 ZINC000307232663 168191831 /nfs/dbraw/zinc/19/18/31/168191831.db2.gz CTAFSONDHUHUKM-UHFFFAOYSA-N 1 2 236.167 3.507 20 0 BHADLO CC[C@H]1CCCC[N@H+]1Cc1csc(Cl)n1 ZINC000307301553 388389995 /nfs/dbraw/zinc/38/99/95/388389995.db2.gz LDMGTLIHXXAKEJ-JTQLQIEISA-N 1 2 244.791 3.561 20 0 BHADLO CC[C@H]1CCCC[N@@H+]1Cc1csc(Cl)n1 ZINC000307301553 388389993 /nfs/dbraw/zinc/38/99/93/388389993.db2.gz LDMGTLIHXXAKEJ-JTQLQIEISA-N 1 2 244.791 3.561 20 0 BHADLO CC[C@@H]1CCCC[N@H+]1Cc1csc(Cl)n1 ZINC000307301554 388390068 /nfs/dbraw/zinc/39/00/68/388390068.db2.gz LDMGTLIHXXAKEJ-SNVBAGLBSA-N 1 2 244.791 3.561 20 0 BHADLO CC[C@@H]1CCCC[N@@H+]1Cc1csc(Cl)n1 ZINC000307301554 388390066 /nfs/dbraw/zinc/39/00/66/388390066.db2.gz LDMGTLIHXXAKEJ-SNVBAGLBSA-N 1 2 244.791 3.561 20 0 BHADLO C[N@@H+](Cc1csc(Cl)c1Cl)C1CC1 ZINC000307663540 172920674 /nfs/dbraw/zinc/92/06/74/172920674.db2.gz IZBFCNJVIVOWKY-UHFFFAOYSA-N 1 2 236.167 3.649 20 0 BHADLO C[N@H+](Cc1csc(Cl)c1Cl)C1CC1 ZINC000307663540 172920672 /nfs/dbraw/zinc/92/06/72/172920672.db2.gz IZBFCNJVIVOWKY-UHFFFAOYSA-N 1 2 236.167 3.649 20 0 BHADLO C[C@@H]([NH2+][C@@H]1CCCC1(F)F)c1cccs1 ZINC000308825435 582896037 /nfs/dbraw/zinc/89/60/37/582896037.db2.gz DMJOLLGVYYTLPS-PSASIEDQSA-N 1 2 231.311 3.587 20 0 BHADLO C[C@@H]([NH2+][C@H]1CCCC1(F)F)c1cccs1 ZINC000308825439 582895875 /nfs/dbraw/zinc/89/58/75/582895875.db2.gz DMJOLLGVYYTLPS-SCZZXKLOSA-N 1 2 231.311 3.587 20 0 BHADLO C[C@H]([NH2+][C@@H]1CCCC1(F)F)c1cccs1 ZINC000308825443 582895869 /nfs/dbraw/zinc/89/58/69/582895869.db2.gz DMJOLLGVYYTLPS-WCBMZHEXSA-N 1 2 231.311 3.587 20 0 BHADLO C[C@H]([NH2+][C@H]1CCCC1(F)F)c1cccs1 ZINC000308825447 582895930 /nfs/dbraw/zinc/89/59/30/582895930.db2.gz DMJOLLGVYYTLPS-WPRPVWTQSA-N 1 2 231.311 3.587 20 0 BHADLO Cc1cc[nH+]c(NCCSC(C)C)c1Cl ZINC000308828226 384325424 /nfs/dbraw/zinc/32/54/24/384325424.db2.gz FENQMEXNJKANRU-UHFFFAOYSA-N 1 2 244.791 3.597 20 0 BHADLO C[C@@H]([NH2+][C@@H]1CCCC1(F)F)c1ccsc1 ZINC000308849147 491138910 /nfs/dbraw/zinc/13/89/10/491138910.db2.gz NNEZQASKNIGOOT-PSASIEDQSA-N 1 2 231.311 3.587 20 0 BHADLO C[C@@H]([NH2+][C@H]1CCCC1(F)F)c1ccsc1 ZINC000308849149 491138926 /nfs/dbraw/zinc/13/89/26/491138926.db2.gz NNEZQASKNIGOOT-SCZZXKLOSA-N 1 2 231.311 3.587 20 0 BHADLO C[C@H]([NH2+][C@@H]1CCCC1(F)F)c1ccsc1 ZINC000308849151 491138888 /nfs/dbraw/zinc/13/88/88/491138888.db2.gz NNEZQASKNIGOOT-WCBMZHEXSA-N 1 2 231.311 3.587 20 0 BHADLO C[C@H]([NH2+][C@H]1CCCC1(F)F)c1ccsc1 ZINC000308849153 491049019 /nfs/dbraw/zinc/04/90/19/491049019.db2.gz NNEZQASKNIGOOT-WPRPVWTQSA-N 1 2 231.311 3.587 20 0 BHADLO CC(C)[C@H]([NH2+]CCC(C)(C)C)C(F)(F)F ZINC000308858847 529120100 /nfs/dbraw/zinc/12/01/00/529120100.db2.gz QVOAVHFJKJKOIJ-VIFPVBQESA-N 1 2 225.298 3.599 20 0 BHADLO Fc1c[nH+]ccc1NCc1cscc1Cl ZINC000308869206 491139262 /nfs/dbraw/zinc/13/92/62/491139262.db2.gz IFOYYYAQATUJEO-UHFFFAOYSA-N 1 2 242.706 3.548 20 0 BHADLO FCC[NH2+]C1(c2c(Cl)cccc2Cl)CC1 ZINC000308875042 229254934 /nfs/dbraw/zinc/25/49/34/229254934.db2.gz MXSSGDDSXCEIQF-UHFFFAOYSA-N 1 2 248.128 3.542 20 0 BHADLO CC(C)CC[NH2+][C@H](C(C)(C)C)C(F)(F)F ZINC000308876050 353586929 /nfs/dbraw/zinc/58/69/29/353586929.db2.gz SGXXUHDRKGFVJJ-SECBINFHSA-N 1 2 225.298 3.599 20 0 BHADLO CC(C)CC[NH2+][C@@H](C(C)(C)C)C(F)(F)F ZINC000308876051 353587043 /nfs/dbraw/zinc/58/70/43/353587043.db2.gz SGXXUHDRKGFVJJ-VIFPVBQESA-N 1 2 225.298 3.599 20 0 BHADLO CSc1ccc(NCCC(C)(C)C)[nH+]c1 ZINC000308927007 188342730 /nfs/dbraw/zinc/34/27/30/188342730.db2.gz IMTJMODTPJFKEX-UHFFFAOYSA-N 1 2 224.373 3.652 20 0 BHADLO CC[C@H](C)C[C@H](CC)[NH2+][C@H](C)C(F)(F)F ZINC000308935497 529684080 /nfs/dbraw/zinc/68/40/80/529684080.db2.gz KSGWWPSLXLPQPZ-AEJSXWLSSA-N 1 2 225.298 3.742 20 0 BHADLO CC[C@H](C)C[C@H](CC)[NH2+][C@@H](C)C(F)(F)F ZINC000308935498 529683453 /nfs/dbraw/zinc/68/34/53/529683453.db2.gz KSGWWPSLXLPQPZ-GUBZILKMSA-N 1 2 225.298 3.742 20 0 BHADLO CC[C@H](C[C@@H](C)CC)[NH2+][C@H](C)C(F)(F)F ZINC000308935499 529418815 /nfs/dbraw/zinc/41/88/15/529418815.db2.gz KSGWWPSLXLPQPZ-IVZWLZJFSA-N 1 2 225.298 3.742 20 0 BHADLO CC[C@H](C[C@@H](C)CC)[NH2+][C@@H](C)C(F)(F)F ZINC000308935500 529418837 /nfs/dbraw/zinc/41/88/37/529418837.db2.gz KSGWWPSLXLPQPZ-LPEHRKFASA-N 1 2 225.298 3.742 20 0 BHADLO CCCC(CCC)[NH2+][C@@H](CC)C(F)(F)F ZINC000308971407 528000677 /nfs/dbraw/zinc/00/06/77/528000677.db2.gz ZRMDMUPZWADXMM-JTQLQIEISA-N 1 2 225.298 3.886 20 0 BHADLO CC(C)CC(C)(C)CNc1cccc[nH+]1 ZINC000308973463 527680758 /nfs/dbraw/zinc/68/07/58/527680758.db2.gz FWPRHSAVFFEELW-UHFFFAOYSA-N 1 2 206.333 3.566 20 0 BHADLO Cc1ccsc1[C@@H](C)[NH2+]C1(C(F)F)CC1 ZINC000308994372 385336076 /nfs/dbraw/zinc/33/60/76/385336076.db2.gz MABAIPUYVQXIIS-MRVPVSSYSA-N 1 2 231.311 3.505 20 0 BHADLO Cc1ccsc1[C@H](C)[NH2+]C1(C(F)F)CC1 ZINC000308994374 385336183 /nfs/dbraw/zinc/33/61/83/385336183.db2.gz MABAIPUYVQXIIS-QMMMGPOBSA-N 1 2 231.311 3.505 20 0 BHADLO CC(C)CCC[NH2+][C@@H](C(C)C)C(F)(F)F ZINC000309006224 527704931 /nfs/dbraw/zinc/70/49/31/527704931.db2.gz PXBFCZDCNDSDPL-JTQLQIEISA-N 1 2 225.298 3.599 20 0 BHADLO CCSCCCNc1[nH+]ccc(C)c1Cl ZINC000309030435 385378736 /nfs/dbraw/zinc/37/87/36/385378736.db2.gz DJHHKGHHOLJPKN-UHFFFAOYSA-N 1 2 244.791 3.599 20 0 BHADLO CC[C@H]([NH2+]C[C@@H](C)C(C)(C)C)C(F)(F)F ZINC000309032082 487624562 /nfs/dbraw/zinc/62/45/62/487624562.db2.gz FKUIGLZDYYGVML-BDAKNGLRSA-N 1 2 225.298 3.599 20 0 BHADLO CC[C@H]([NH2+]C[C@H](C)C(C)(C)C)C(F)(F)F ZINC000309032083 487624573 /nfs/dbraw/zinc/62/45/73/487624573.db2.gz FKUIGLZDYYGVML-IUCAKERBSA-N 1 2 225.298 3.599 20 0 BHADLO CC[C@H]([NH2+]C1CCCCCC1)C(F)(F)F ZINC000309036110 529583829 /nfs/dbraw/zinc/58/38/29/529583829.db2.gz IEQSTBWUUVYLJB-JTQLQIEISA-N 1 2 223.282 3.640 20 0 BHADLO Cc1cc[nH+]c(NC2CCCCC2)c1Cl ZINC000309067862 534402796 /nfs/dbraw/zinc/40/27/96/534402796.db2.gz AKGPJDRQIHRLIH-UHFFFAOYSA-N 1 2 224.735 3.788 20 0 BHADLO CCCC[C@H](CC)[NH2+][C@@H](CC)C(F)(F)F ZINC000309069981 528915558 /nfs/dbraw/zinc/91/55/58/528915558.db2.gz BANRLGYHVQPCMK-UWVGGRQHSA-N 1 2 225.298 3.886 20 0 BHADLO CCCC[C@@H](CC)[NH2+][C@@H](CC)C(F)(F)F ZINC000309069982 528782909 /nfs/dbraw/zinc/78/29/09/528782909.db2.gz BANRLGYHVQPCMK-ZJUUUORDSA-N 1 2 225.298 3.886 20 0 BHADLO CC(C)C[C@H](C)[NH2+][C@@H](C(C)C)C(F)(F)F ZINC000309085685 528475382 /nfs/dbraw/zinc/47/53/82/528475382.db2.gz XCYMXPSELWDPAZ-UWVGGRQHSA-N 1 2 225.298 3.598 20 0 BHADLO CC(C)C[C@@H](C)[NH2+][C@@H](C(C)C)C(F)(F)F ZINC000309085686 528268520 /nfs/dbraw/zinc/26/85/20/528268520.db2.gz XCYMXPSELWDPAZ-ZJUUUORDSA-N 1 2 225.298 3.598 20 0 BHADLO CC/C=C/CC[NH2+][C@@](C)(CC)C(F)(F)F ZINC000309088364 323315740 /nfs/dbraw/zinc/31/57/40/323315740.db2.gz BGBJZBNDJVHGCN-FGEFZZPRSA-N 1 2 223.282 3.663 20 0 BHADLO CC/C=C\CC[NH2+][C@@](C)(CC)C(F)(F)F ZINC000309088365 323315534 /nfs/dbraw/zinc/31/55/34/323315534.db2.gz BGBJZBNDJVHGCN-GFVADAIESA-N 1 2 223.282 3.663 20 0 BHADLO CC/C=C\CC[NH2+][C@](C)(CC)C(F)(F)F ZINC000309088366 323315674 /nfs/dbraw/zinc/31/56/74/323315674.db2.gz BGBJZBNDJVHGCN-JYESYGNLSA-N 1 2 223.282 3.663 20 0 BHADLO CC/C=C/CC[NH2+][C@](C)(CC)C(F)(F)F ZINC000309088367 323315365 /nfs/dbraw/zinc/31/53/65/323315365.db2.gz BGBJZBNDJVHGCN-VQCYPWCPSA-N 1 2 223.282 3.663 20 0 BHADLO CCC[C@H](C)C[NH2+][C@@H](C(C)C)C(F)(F)F ZINC000309092801 528034287 /nfs/dbraw/zinc/03/42/87/528034287.db2.gz CTUAFVDQOBXPGI-UWVGGRQHSA-N 1 2 225.298 3.599 20 0 BHADLO CCC[C@@H](C)C[NH2+][C@@H](C(C)C)C(F)(F)F ZINC000309092802 528877944 /nfs/dbraw/zinc/87/79/44/528877944.db2.gz CTUAFVDQOBXPGI-ZJUUUORDSA-N 1 2 225.298 3.599 20 0 BHADLO Cc1c[nH+]cc(NCc2sccc2Cl)c1 ZINC000309097172 385407420 /nfs/dbraw/zinc/40/74/20/385407420.db2.gz FJZSOOYPMLOVEL-UHFFFAOYSA-N 1 2 238.743 3.717 20 0 BHADLO Cc1cc[nH+]c(N[C@@H]2CC[C@@H](C)C2)c1Cl ZINC000309130523 385431338 /nfs/dbraw/zinc/43/13/38/385431338.db2.gz QZDXGAKXGRKBGY-PSASIEDQSA-N 1 2 224.735 3.644 20 0 BHADLO Cc1cc[nH+]c(N[C@H]2CC[C@@H](C)C2)c1Cl ZINC000309130524 179460172 /nfs/dbraw/zinc/46/01/72/179460172.db2.gz QZDXGAKXGRKBGY-SCZZXKLOSA-N 1 2 224.735 3.644 20 0 BHADLO Cc1cc[nH+]c(N[C@@H]2CC[C@H](C)C2)c1Cl ZINC000309130525 385431792 /nfs/dbraw/zinc/43/17/92/385431792.db2.gz QZDXGAKXGRKBGY-WCBMZHEXSA-N 1 2 224.735 3.644 20 0 BHADLO Cc1cc[nH+]c(N[C@H]2CC[C@H](C)C2)c1Cl ZINC000309130526 385430919 /nfs/dbraw/zinc/43/09/19/385430919.db2.gz QZDXGAKXGRKBGY-WPRPVWTQSA-N 1 2 224.735 3.644 20 0 BHADLO Cc1cc[nH+]c(N[C@@H]2CCC[C@H]2C)c1Cl ZINC000309136305 322895010 /nfs/dbraw/zinc/89/50/10/322895010.db2.gz SCTQDSYZTCFMCL-PSASIEDQSA-N 1 2 224.735 3.644 20 0 BHADLO Cc1cc[nH+]c(N[C@H]2CCC[C@H]2C)c1Cl ZINC000309136307 322894964 /nfs/dbraw/zinc/89/49/64/322894964.db2.gz SCTQDSYZTCFMCL-SCZZXKLOSA-N 1 2 224.735 3.644 20 0 BHADLO Cc1cc[nH+]c(N[C@@H]2CCC[C@@H]2C)c1Cl ZINC000309136309 385102335 /nfs/dbraw/zinc/10/23/35/385102335.db2.gz SCTQDSYZTCFMCL-WCBMZHEXSA-N 1 2 224.735 3.644 20 0 BHADLO Cc1cc[nH+]c(N[C@H]2CCC[C@@H]2C)c1Cl ZINC000309136311 385103040 /nfs/dbraw/zinc/10/30/40/385103040.db2.gz SCTQDSYZTCFMCL-WPRPVWTQSA-N 1 2 224.735 3.644 20 0 BHADLO CCC[C@H](C)[C@H](CC)[NH2+][C@H](C)C(F)(F)F ZINC000309191129 385200618 /nfs/dbraw/zinc/20/06/18/385200618.db2.gz PQKPMRQLIRGXFN-AEJSXWLSSA-N 1 2 225.298 3.742 20 0 BHADLO CCC[C@H](C)[C@H](CC)[NH2+][C@@H](C)C(F)(F)F ZINC000309191136 385200839 /nfs/dbraw/zinc/20/08/39/385200839.db2.gz PQKPMRQLIRGXFN-GUBZILKMSA-N 1 2 225.298 3.742 20 0 BHADLO CCC[C@H](C)[C@@H](CC)[NH2+][C@H](C)C(F)(F)F ZINC000309191141 385201322 /nfs/dbraw/zinc/20/13/22/385201322.db2.gz PQKPMRQLIRGXFN-IVZWLZJFSA-N 1 2 225.298 3.742 20 0 BHADLO CCC[C@H](C)[C@@H](CC)[NH2+][C@@H](C)C(F)(F)F ZINC000309191146 385200465 /nfs/dbraw/zinc/20/04/65/385200465.db2.gz PQKPMRQLIRGXFN-LPEHRKFASA-N 1 2 225.298 3.742 20 0 BHADLO Cc1c[nH+]cc(NCc2ccsc2Cl)c1 ZINC000309197715 384442083 /nfs/dbraw/zinc/44/20/83/384442083.db2.gz QTEZSSOVJORGNB-UHFFFAOYSA-N 1 2 238.743 3.717 20 0 BHADLO Cc1[nH+]cccc1NCc1ccsc1Cl ZINC000309209095 180225874 /nfs/dbraw/zinc/22/58/74/180225874.db2.gz SLRGIWKKCSNHLL-UHFFFAOYSA-N 1 2 238.743 3.717 20 0 BHADLO Cc1cc[nH+]c(NCCC2(C)CC2)c1Cl ZINC000309211758 385480227 /nfs/dbraw/zinc/48/02/27/385480227.db2.gz SXTULINXEVPQSC-UHFFFAOYSA-N 1 2 224.735 3.646 20 0 BHADLO Cc1cc[nH+]c(N[C@H]2CC=CCC2)c1Cl ZINC000309225499 385490202 /nfs/dbraw/zinc/49/02/02/385490202.db2.gz VZIZRIYAXRGYNH-JTQLQIEISA-N 1 2 222.719 3.564 20 0 BHADLO Cc1cc[nH+]c(N[C@@H]2CC=CCC2)c1Cl ZINC000309225500 385490514 /nfs/dbraw/zinc/49/05/14/385490514.db2.gz VZIZRIYAXRGYNH-SNVBAGLBSA-N 1 2 222.719 3.564 20 0 BHADLO Cc1cc[nH+]c(NCc2ccsc2)c1Cl ZINC000309231529 385492026 /nfs/dbraw/zinc/49/20/26/385492026.db2.gz WTSVLYWGQJMJBT-UHFFFAOYSA-N 1 2 238.743 3.717 20 0 BHADLO Cc1cc[nH+]c(NCCCC2CC2)c1Cl ZINC000309236028 350215987 /nfs/dbraw/zinc/21/59/87/350215987.db2.gz XOKSEVXVGYPWGT-UHFFFAOYSA-N 1 2 224.735 3.646 20 0 BHADLO CC(C)[C@H]([NH2+]C1CC(C(C)C)C1)C(F)(F)F ZINC000309305720 383866178 /nfs/dbraw/zinc/86/61/78/383866178.db2.gz AQPHPAFAKXQUQT-ILDUYXDCSA-N 1 2 237.309 3.598 20 0 BHADLO CC(C)[C@H]([NH2+][C@@H]1CC[C@H]1C(C)C)C(F)(F)F ZINC000309322222 491146917 /nfs/dbraw/zinc/14/69/17/491146917.db2.gz FKGGWYLNNYESPW-AXFHLTTASA-N 1 2 237.309 3.598 20 0 BHADLO CC(C)[C@H]([NH2+][C@H]1CC[C@H]1C(C)C)C(F)(F)F ZINC000309322227 491146886 /nfs/dbraw/zinc/14/68/86/491146886.db2.gz FKGGWYLNNYESPW-DCAQKATOSA-N 1 2 237.309 3.598 20 0 BHADLO CC(C)[C@H]([NH2+][C@@H]1CC[C@@H]1C(C)C)C(F)(F)F ZINC000309322230 491146879 /nfs/dbraw/zinc/14/68/79/491146879.db2.gz FKGGWYLNNYESPW-MXWKQRLJSA-N 1 2 237.309 3.598 20 0 BHADLO CC(C)[C@H]([NH2+][C@H]1CC[C@@H]1C(C)C)C(F)(F)F ZINC000309322232 491146914 /nfs/dbraw/zinc/14/69/14/491146914.db2.gz FKGGWYLNNYESPW-VWYCJHECSA-N 1 2 237.309 3.598 20 0 BHADLO CC(C)[C@H]([NH2+][C@H](C)CCC1CC1)C(F)(F)F ZINC000309324924 398020848 /nfs/dbraw/zinc/02/08/48/398020848.db2.gz GGJFBIZJIGPXPL-KOLCDFICSA-N 1 2 237.309 3.742 20 0 BHADLO CC(C)[C@H]([NH2+][C@@H](C)CCC1CC1)C(F)(F)F ZINC000309324926 398020360 /nfs/dbraw/zinc/02/03/60/398020360.db2.gz GGJFBIZJIGPXPL-ONGXEEELSA-N 1 2 237.309 3.742 20 0 BHADLO CC(C)CC(CC(C)C)[NH2+][C@@H](C)C(F)(F)F ZINC000309325435 398020982 /nfs/dbraw/zinc/02/09/82/398020982.db2.gz GISVZIVEXYDYBT-JTQLQIEISA-N 1 2 239.325 3.988 20 0 BHADLO CC(C)CC(CC(C)C)[NH2+][C@H](C)C(F)(F)F ZINC000309325436 398020918 /nfs/dbraw/zinc/02/09/18/398020918.db2.gz GISVZIVEXYDYBT-SNVBAGLBSA-N 1 2 239.325 3.988 20 0 BHADLO CC(C)[C@H]([NH2+]CC1CCCCC1)C(F)(F)F ZINC000309328977 383881910 /nfs/dbraw/zinc/88/19/10/383881910.db2.gz HHWNAEOIDKMDLE-NSHDSACASA-N 1 2 237.309 3.743 20 0 BHADLO CC(C)[C@H]([NH2+][C@H]1CCC(C)(C)C1)C(F)(F)F ZINC000309352015 343322637 /nfs/dbraw/zinc/32/26/37/343322637.db2.gz NCDLJKNOTSEUFE-UWVGGRQHSA-N 1 2 237.309 3.742 20 0 BHADLO CC(C)[C@H]([NH2+][C@@H]1CCC(C)(C)C1)C(F)(F)F ZINC000309352016 343322531 /nfs/dbraw/zinc/32/25/31/343322531.db2.gz NCDLJKNOTSEUFE-ZJUUUORDSA-N 1 2 237.309 3.742 20 0 BHADLO C[C@@H]1CCCC[C@@H]1CCNc1cccc[nH+]1 ZINC000309410399 383976922 /nfs/dbraw/zinc/97/69/22/383976922.db2.gz IMHJAGCOVJGCTG-CHWSQXEVSA-N 1 2 218.344 3.710 20 0 BHADLO C[C@@H]1CCCC[C@H]1CCNc1cccc[nH+]1 ZINC000309410402 383976558 /nfs/dbraw/zinc/97/65/58/383976558.db2.gz IMHJAGCOVJGCTG-OLZOCXBDSA-N 1 2 218.344 3.710 20 0 BHADLO C[C@H]1CCCC[C@@H]1CCNc1cccc[nH+]1 ZINC000309410405 383978561 /nfs/dbraw/zinc/97/85/61/383978561.db2.gz IMHJAGCOVJGCTG-QWHCGFSZSA-N 1 2 218.344 3.710 20 0 BHADLO C[C@H]1CCCC[C@H]1CCNc1cccc[nH+]1 ZINC000309410408 383977746 /nfs/dbraw/zinc/97/77/46/383977746.db2.gz IMHJAGCOVJGCTG-STQMWFEESA-N 1 2 218.344 3.710 20 0 BHADLO CC(C)C[C@H](C)C[NH2+][C@H](C1CC1)C(F)(F)F ZINC000309412880 386245307 /nfs/dbraw/zinc/24/53/07/386245307.db2.gz YIIJQLPFWCEGSC-GXSJLCMTSA-N 1 2 237.309 3.599 20 0 BHADLO CC(C)C[C@@H](C)C[NH2+][C@@H](C1CC1)C(F)(F)F ZINC000309412881 383977641 /nfs/dbraw/zinc/97/76/41/383977641.db2.gz YIIJQLPFWCEGSC-KOLCDFICSA-N 1 2 237.309 3.599 20 0 BHADLO CC(C)C[C@@H](C)C[NH2+][C@H](C1CC1)C(F)(F)F ZINC000309412882 383977892 /nfs/dbraw/zinc/97/78/92/383977892.db2.gz YIIJQLPFWCEGSC-MWLCHTKSSA-N 1 2 237.309 3.599 20 0 BHADLO CC(C)C[C@H](C)C[NH2+][C@@H](C1CC1)C(F)(F)F ZINC000309412884 383976724 /nfs/dbraw/zinc/97/67/24/383976724.db2.gz YIIJQLPFWCEGSC-ONGXEEELSA-N 1 2 237.309 3.599 20 0 BHADLO CC(C)[C@H]([NH2+][C@H](C)CC1CCC1)C(F)(F)F ZINC000309420180 491055003 /nfs/dbraw/zinc/05/50/03/491055003.db2.gz ZLCIERBKKJPHMR-KOLCDFICSA-N 1 2 237.309 3.742 20 0 BHADLO CC(C)[C@H]([NH2+][C@@H](C)CC1CCC1)C(F)(F)F ZINC000309420182 491148913 /nfs/dbraw/zinc/14/89/13/491148913.db2.gz ZLCIERBKKJPHMR-ONGXEEELSA-N 1 2 237.309 3.742 20 0 BHADLO CCCC(CCC)[NH2+][C@H](C1CC1)C(F)(F)F ZINC000309450711 384077550 /nfs/dbraw/zinc/07/75/50/384077550.db2.gz LALOJCMUZUWJOF-LLVKDONJSA-N 1 2 237.309 3.886 20 0 BHADLO CCCC(CCC)[NH2+][C@@H](C1CC1)C(F)(F)F ZINC000309450712 384079273 /nfs/dbraw/zinc/07/92/73/384079273.db2.gz LALOJCMUZUWJOF-NSHDSACASA-N 1 2 237.309 3.886 20 0 BHADLO CC[C@@](C)([NH2+]CC1CCCCC1)C(F)(F)F ZINC000309462160 387803164 /nfs/dbraw/zinc/80/31/64/387803164.db2.gz OFNOJXUWUKBESB-LLVKDONJSA-N 1 2 237.309 3.887 20 0 BHADLO CC[C@](C)([NH2+]CC1CCCCC1)C(F)(F)F ZINC000309462162 323412608 /nfs/dbraw/zinc/41/26/08/323412608.db2.gz OFNOJXUWUKBESB-NSHDSACASA-N 1 2 237.309 3.887 20 0 BHADLO CCc1ccc([C@@H](C)[NH2+]C2(C(F)F)CC2)s1 ZINC000309463100 384089211 /nfs/dbraw/zinc/08/92/11/384089211.db2.gz OMQQKJCLPQLDSD-MRVPVSSYSA-N 1 2 245.338 3.759 20 0 BHADLO CCc1ccc([C@H](C)[NH2+]C2(C(F)F)CC2)s1 ZINC000309463101 384088581 /nfs/dbraw/zinc/08/85/81/384088581.db2.gz OMQQKJCLPQLDSD-QMMMGPOBSA-N 1 2 245.338 3.759 20 0 BHADLO CC[C@H]([NH2+]C1CCC(C)(C)CC1)C(F)(F)F ZINC000309466961 384092010 /nfs/dbraw/zinc/09/20/10/384092010.db2.gz PPEJXXGAZYSZKE-JTQLQIEISA-N 1 2 237.309 3.886 20 0 BHADLO CC[C@H]([NH2+]C1C[C@H](C)C[C@@H](C)C1)C(F)(F)F ZINC000309488030 384099153 /nfs/dbraw/zinc/09/91/53/384099153.db2.gz WDBANLUBHKCVSR-KKZNHRDASA-N 1 2 237.309 3.742 20 0 BHADLO CC[C@H]([NH2+]C1C[C@@H](C)C[C@H](C)C1)C(F)(F)F ZINC000309488031 384099122 /nfs/dbraw/zinc/09/91/22/384099122.db2.gz WDBANLUBHKCVSR-QXEWZRGKSA-N 1 2 237.309 3.742 20 0 BHADLO CC[C@H]([NH2+][C@H]1C[C@H](C)C[C@H](C)C1)C(F)(F)F ZINC000309488032 384099148 /nfs/dbraw/zinc/09/91/48/384099148.db2.gz WDBANLUBHKCVSR-ZDCRXTMVSA-N 1 2 237.309 3.742 20 0 BHADLO CC[C@H]([NH2+]C1CCC(CC)CC1)C(F)(F)F ZINC000309494839 384098595 /nfs/dbraw/zinc/09/85/95/384098595.db2.gz YDGNBWFPXGTEKO-ILDUYXDCSA-N 1 2 237.309 3.886 20 0 BHADLO C[C@@H]([NH2+]C1(C(F)F)CC1)c1cccc(Cl)c1 ZINC000309505299 384113300 /nfs/dbraw/zinc/11/33/00/384113300.db2.gz BUDAAFKKWAZRQM-MRVPVSSYSA-N 1 2 245.700 3.788 20 0 BHADLO C[C@H]([NH2+]C1(C(F)F)CC1)c1cccc(Cl)c1 ZINC000309505300 384113836 /nfs/dbraw/zinc/11/38/36/384113836.db2.gz BUDAAFKKWAZRQM-QMMMGPOBSA-N 1 2 245.700 3.788 20 0 BHADLO FC(F)(F)[C@H]([NH2+]C1CCCCCC1)C1CC1 ZINC000309517075 384116957 /nfs/dbraw/zinc/11/69/57/384116957.db2.gz AGCRVTRDFHXFGC-LLVKDONJSA-N 1 2 235.293 3.640 20 0 BHADLO FC(F)(F)[C@@H]([NH2+]C1CCCCCC1)C1CC1 ZINC000309517077 384116461 /nfs/dbraw/zinc/11/64/61/384116461.db2.gz AGCRVTRDFHXFGC-NSHDSACASA-N 1 2 235.293 3.640 20 0 BHADLO CC[C@@](C)([NH2+]C[C@H](C)CC(C)C)C(F)(F)F ZINC000309530238 326157372 /nfs/dbraw/zinc/15/73/72/326157372.db2.gz DFBURUFHNOTHCC-GHMZBOCLSA-N 1 2 239.325 3.989 20 0 BHADLO CC[C@](C)([NH2+]C[C@H](C)CC(C)C)C(F)(F)F ZINC000309530239 326157350 /nfs/dbraw/zinc/15/73/50/326157350.db2.gz DFBURUFHNOTHCC-MNOVXSKESA-N 1 2 239.325 3.989 20 0 BHADLO CC[C@](C)([NH2+]C[C@@H](C)CC(C)C)C(F)(F)F ZINC000309530240 326157386 /nfs/dbraw/zinc/15/73/86/326157386.db2.gz DFBURUFHNOTHCC-QWRGUYRKSA-N 1 2 239.325 3.989 20 0 BHADLO CC[C@@](C)([NH2+]C[C@@H](C)CC(C)C)C(F)(F)F ZINC000309530241 326158115 /nfs/dbraw/zinc/15/81/15/326158115.db2.gz DFBURUFHNOTHCC-WDEREUQCSA-N 1 2 239.325 3.989 20 0 BHADLO CC(C)CC(CC(C)C)Nc1cccc[nH+]1 ZINC000309540267 388456784 /nfs/dbraw/zinc/45/67/84/388456784.db2.gz DPRQDZZKVJGWGH-UHFFFAOYSA-N 1 2 220.360 3.954 20 0 BHADLO C[C@H](C[NH2+][C@H](C1CC1)C(F)(F)F)C(C)(C)C ZINC000309546604 491151036 /nfs/dbraw/zinc/15/10/36/491151036.db2.gz GZOQQBVREIWOGB-PSASIEDQSA-N 1 2 237.309 3.599 20 0 BHADLO C[C@H](C[NH2+][C@@H](C1CC1)C(F)(F)F)C(C)(C)C ZINC000309546607 491151053 /nfs/dbraw/zinc/15/10/53/491151053.db2.gz GZOQQBVREIWOGB-SCZZXKLOSA-N 1 2 237.309 3.599 20 0 BHADLO C[C@@H](C[NH2+][C@H](C1CC1)C(F)(F)F)C(C)(C)C ZINC000309546609 491151050 /nfs/dbraw/zinc/15/10/50/491151050.db2.gz GZOQQBVREIWOGB-WCBMZHEXSA-N 1 2 237.309 3.599 20 0 BHADLO C[C@@H](C[NH2+][C@@H](C1CC1)C(F)(F)F)C(C)(C)C ZINC000309546611 491151047 /nfs/dbraw/zinc/15/10/47/491151047.db2.gz GZOQQBVREIWOGB-WPRPVWTQSA-N 1 2 237.309 3.599 20 0 BHADLO CC1=C[C@H](C)C[C@H](C[NH2+][C@H](C)C(F)(F)F)C1 ZINC000309547018 388456919 /nfs/dbraw/zinc/45/69/19/388456919.db2.gz HCZBNJCARORTJL-GDPRMGEGSA-N 1 2 235.293 3.519 20 0 BHADLO CC1=C[C@H](C)C[C@@H](C[NH2+][C@@H](C)C(F)(F)F)C1 ZINC000309547019 528143018 /nfs/dbraw/zinc/14/30/18/528143018.db2.gz HCZBNJCARORTJL-INTQDDNPSA-N 1 2 235.293 3.519 20 0 BHADLO CC1=C[C@H](C)C[C@@H](C[NH2+][C@H](C)C(F)(F)F)C1 ZINC000309547020 384121272 /nfs/dbraw/zinc/12/12/72/384121272.db2.gz HCZBNJCARORTJL-JMJZKYOTSA-N 1 2 235.293 3.519 20 0 BHADLO CC1=C[C@H](C)C[C@H](C[NH2+][C@@H](C)C(F)(F)F)C1 ZINC000309547021 384121368 /nfs/dbraw/zinc/12/13/68/384121368.db2.gz HCZBNJCARORTJL-LSJOCFKGSA-N 1 2 235.293 3.519 20 0 BHADLO c1ccc(NCCCCC2CCCC2)[nH+]c1 ZINC000309548926 384121535 /nfs/dbraw/zinc/12/15/35/384121535.db2.gz JJAJIQNMPNJZQM-UHFFFAOYSA-N 1 2 218.344 3.854 20 0 BHADLO C[C@@H]([NH2+]CC(F)(F)F)[C@@H](C)C1CCCCC1 ZINC000309549562 398086489 /nfs/dbraw/zinc/08/64/89/398086489.db2.gz HSKOUJCMWNDSPU-NXEZZACHSA-N 1 2 237.309 3.743 20 0 BHADLO C[C@@H]([C@H](C)[NH2+]CC(F)(F)F)C1CCCCC1 ZINC000309549563 398086576 /nfs/dbraw/zinc/08/65/76/398086576.db2.gz HSKOUJCMWNDSPU-UWVGGRQHSA-N 1 2 237.309 3.743 20 0 BHADLO C[C@@H]([NH2+]CC(F)(F)F)[C@H](C)C1CCCCC1 ZINC000309549564 398086539 /nfs/dbraw/zinc/08/65/39/398086539.db2.gz HSKOUJCMWNDSPU-VHSXEESVSA-N 1 2 237.309 3.743 20 0 BHADLO C[C@H]([NH2+]CC(F)(F)F)[C@@H](C)C1CCCCC1 ZINC000309549565 398087000 /nfs/dbraw/zinc/08/70/00/398087000.db2.gz HSKOUJCMWNDSPU-ZJUUUORDSA-N 1 2 237.309 3.743 20 0 BHADLO Clc1cccc2c(NC3CCC3)cc[nH+]c12 ZINC000309556451 388456665 /nfs/dbraw/zinc/45/66/65/388456665.db2.gz HTZIUAUNENJGAY-UHFFFAOYSA-N 1 2 232.714 3.853 20 0 BHADLO FC1(F)CCC[C@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000309569584 491056848 /nfs/dbraw/zinc/05/68/48/491056848.db2.gz MIOJCVRCAUQGBA-LLVKDONJSA-N 1 2 245.700 3.617 20 0 BHADLO FC1(F)CCC[C@@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000309569587 491151813 /nfs/dbraw/zinc/15/18/13/491151813.db2.gz MIOJCVRCAUQGBA-NSHDSACASA-N 1 2 245.700 3.617 20 0 BHADLO CC1=CCC[C@H](C)[C@H]1C[NH2+][C@H](C)C(F)(F)F ZINC000309577858 388458143 /nfs/dbraw/zinc/45/81/43/388458143.db2.gz PMFIZDVCUGCHSI-AXFHLTTASA-N 1 2 235.293 3.519 20 0 BHADLO CC1=CCC[C@H](C)[C@H]1C[NH2+][C@@H](C)C(F)(F)F ZINC000309577860 388458165 /nfs/dbraw/zinc/45/81/65/388458165.db2.gz PMFIZDVCUGCHSI-DCAQKATOSA-N 1 2 235.293 3.519 20 0 BHADLO CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@@H](C)C(F)(F)F ZINC000309577862 388458043 /nfs/dbraw/zinc/45/80/43/388458043.db2.gz PMFIZDVCUGCHSI-GARJFASQSA-N 1 2 235.293 3.519 20 0 BHADLO CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@H](C)C(F)(F)F ZINC000309577863 388457989 /nfs/dbraw/zinc/45/79/89/388457989.db2.gz PMFIZDVCUGCHSI-HBNTYKKESA-N 1 2 235.293 3.519 20 0 BHADLO Clc1cccc2c(NCC3CC3)cc[nH+]c12 ZINC000309585890 384157235 /nfs/dbraw/zinc/15/72/35/384157235.db2.gz SDZDDHVDGQMOHK-UHFFFAOYSA-N 1 2 232.714 3.710 20 0 BHADLO CC(C)[C@H]([NH2+][C@@H](C)[C@H]1CC1(C)C)C(F)(F)F ZINC000309593396 388458174 /nfs/dbraw/zinc/45/81/74/388458174.db2.gz VMQORXUZWLMSMQ-AEJSXWLSSA-N 1 2 237.309 3.598 20 0 BHADLO CC(C)[C@H]([NH2+][C@H](C)[C@H]1CC1(C)C)C(F)(F)F ZINC000309593397 388458394 /nfs/dbraw/zinc/45/83/94/388458394.db2.gz VMQORXUZWLMSMQ-BBBLOLIVSA-N 1 2 237.309 3.598 20 0 BHADLO CC(C)[C@H]([NH2+][C@@H](C)[C@@H]1CC1(C)C)C(F)(F)F ZINC000309593398 388457927 /nfs/dbraw/zinc/45/79/27/388457927.db2.gz VMQORXUZWLMSMQ-GUBZILKMSA-N 1 2 237.309 3.598 20 0 BHADLO CC(C)[C@H]([NH2+][C@H](C)[C@@H]1CC1(C)C)C(F)(F)F ZINC000309593399 388458293 /nfs/dbraw/zinc/45/82/93/388458293.db2.gz VMQORXUZWLMSMQ-UTLUCORTSA-N 1 2 237.309 3.598 20 0 BHADLO FC(F)C1([NH2+][C@@H]2CCCc3sccc32)CC1 ZINC000309595577 385724828 /nfs/dbraw/zinc/72/48/28/385724828.db2.gz UMBZPRTYUBDNAA-SECBINFHSA-N 1 2 243.322 3.513 20 0 BHADLO FC(F)C1([NH2+][C@H]2CCCc3sccc32)CC1 ZINC000309595578 385724370 /nfs/dbraw/zinc/72/43/70/385724370.db2.gz UMBZPRTYUBDNAA-VIFPVBQESA-N 1 2 243.322 3.513 20 0 BHADLO C[C@@H]([NH2+][C@H](C)C(F)(F)F)C1CCCCCC1 ZINC000309598425 533531144 /nfs/dbraw/zinc/53/11/44/533531144.db2.gz WXKVQOZFRUOLDO-NXEZZACHSA-N 1 2 237.309 3.886 20 0 BHADLO C[C@H]([NH2+][C@@H](C)C(F)(F)F)C1CCCCCC1 ZINC000309598427 388458841 /nfs/dbraw/zinc/45/88/41/388458841.db2.gz WXKVQOZFRUOLDO-UWVGGRQHSA-N 1 2 237.309 3.886 20 0 BHADLO C[C@@H]([NH2+][C@@H](C)C1CCCCCC1)C(F)(F)F ZINC000309598429 388458755 /nfs/dbraw/zinc/45/87/55/388458755.db2.gz WXKVQOZFRUOLDO-VHSXEESVSA-N 1 2 237.309 3.886 20 0 BHADLO C[C@@H]([NH2+][C@@H](C)C(F)(F)F)C1CCCCCC1 ZINC000309598431 388458956 /nfs/dbraw/zinc/45/89/56/388458956.db2.gz WXKVQOZFRUOLDO-ZJUUUORDSA-N 1 2 237.309 3.886 20 0 BHADLO CC(C)[C@@H]1CC[C@@H]([NH2+]CC(F)(F)F)C[C@@H]1C ZINC000309606061 388459186 /nfs/dbraw/zinc/45/91/86/388459186.db2.gz LGXTVSGMNHSBQS-AXFHLTTASA-N 1 2 237.309 3.599 20 0 BHADLO CC(C)[C@@H]1CC[C@H]([NH2+]CC(F)(F)F)C[C@@H]1C ZINC000309606065 388459063 /nfs/dbraw/zinc/45/90/63/388459063.db2.gz LGXTVSGMNHSBQS-DCAQKATOSA-N 1 2 237.309 3.599 20 0 BHADLO CC(C)[C@@H]1CC[C@@H]([NH2+]CC(F)(F)F)C[C@H]1C ZINC000309606070 388459146 /nfs/dbraw/zinc/45/91/46/388459146.db2.gz LGXTVSGMNHSBQS-MXWKQRLJSA-N 1 2 237.309 3.599 20 0 BHADLO CC(C)[C@@H]1CC[C@H]([NH2+]CC(F)(F)F)C[C@H]1C ZINC000309606074 388459080 /nfs/dbraw/zinc/45/90/80/388459080.db2.gz LGXTVSGMNHSBQS-VWYCJHECSA-N 1 2 237.309 3.599 20 0 BHADLO C[C@@H]([NH2+]CC1CCC(C)(C)CC1)C(F)(F)F ZINC000309606406 388458829 /nfs/dbraw/zinc/45/88/29/388458829.db2.gz YSXWDUHOEBLRDJ-SECBINFHSA-N 1 2 237.309 3.743 20 0 BHADLO C[C@H]([NH2+]CC1CCC(C)(C)CC1)C(F)(F)F ZINC000309606407 388458807 /nfs/dbraw/zinc/45/88/07/388458807.db2.gz YSXWDUHOEBLRDJ-VIFPVBQESA-N 1 2 237.309 3.743 20 0 BHADLO CC(C)(C)[C@@H]([NH2+]CCCCCF)C(F)(F)F ZINC000309607045 342745815 /nfs/dbraw/zinc/74/58/15/342745815.db2.gz LOJPKYIHFGEVSP-SECBINFHSA-N 1 2 243.288 3.693 20 0 BHADLO CC(C)(C)[C@H]([NH2+]CCCCCF)C(F)(F)F ZINC000309607046 342745819 /nfs/dbraw/zinc/74/58/19/342745819.db2.gz LOJPKYIHFGEVSP-VIFPVBQESA-N 1 2 243.288 3.693 20 0 BHADLO CC(C)(C)[C@H]([NH2+]CC1CCCC1)C(F)(F)F ZINC000309617978 323431891 /nfs/dbraw/zinc/43/18/91/323431891.db2.gz OIEGKXNSPLKNAR-JTQLQIEISA-N 1 2 237.309 3.743 20 0 BHADLO CC(C)(C)[C@@H]([NH2+]CC1CCCC1)C(F)(F)F ZINC000309617980 323432056 /nfs/dbraw/zinc/43/20/56/323432056.db2.gz OIEGKXNSPLKNAR-SNVBAGLBSA-N 1 2 237.309 3.743 20 0 BHADLO CC(C)[C@@H]([NH2+]CC(F)F)c1ccccc1Cl ZINC000309622641 491153625 /nfs/dbraw/zinc/15/36/25/491153625.db2.gz PIZLUCYTWINOGV-GFCCVEGCSA-N 1 2 247.716 3.892 20 0 BHADLO CC(C)[C@H]([NH2+]CC(F)F)c1ccccc1Cl ZINC000309622643 491153607 /nfs/dbraw/zinc/15/36/07/491153607.db2.gz PIZLUCYTWINOGV-LBPRGKRZSA-N 1 2 247.716 3.892 20 0 BHADLO Cc1occc1CNc1[nH+]ccc(C)c1Cl ZINC000309639102 491153351 /nfs/dbraw/zinc/15/33/51/491153351.db2.gz NWKUMGFDARZFTC-UHFFFAOYSA-N 1 2 236.702 3.557 20 0 BHADLO CC(C)[C@@H]([NH2+]CC(F)F)c1ccc(Cl)cc1 ZINC000309640271 342771687 /nfs/dbraw/zinc/77/16/87/342771687.db2.gz UKBLJWIHYSRRPC-GFCCVEGCSA-N 1 2 247.716 3.892 20 0 BHADLO CC(C)[C@H]([NH2+]CC(F)F)c1ccc(Cl)cc1 ZINC000309640272 342771707 /nfs/dbraw/zinc/77/17/07/342771707.db2.gz UKBLJWIHYSRRPC-LBPRGKRZSA-N 1 2 247.716 3.892 20 0 BHADLO CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H](C)C(F)(F)F)C1 ZINC000309653495 388460591 /nfs/dbraw/zinc/46/05/91/388460591.db2.gz YKUFKXMIFWRMKJ-AXFHLTTASA-N 1 2 237.309 3.742 20 0 BHADLO CC(C)[C@@H]1CCC[C@@H]([NH2+][C@H](C)C(F)(F)F)C1 ZINC000309653498 385772652 /nfs/dbraw/zinc/77/26/52/385772652.db2.gz YKUFKXMIFWRMKJ-GMTAPVOTSA-N 1 2 237.309 3.742 20 0 BHADLO CC(C)[C@@H]1CCC[C@@H]([NH2+][C@@H](C)C(F)(F)F)C1 ZINC000309653502 388460805 /nfs/dbraw/zinc/46/08/05/388460805.db2.gz YKUFKXMIFWRMKJ-HBNTYKKESA-N 1 2 237.309 3.742 20 0 BHADLO CC(C)[C@@H]1CCC[C@H]([NH2+][C@H](C)C(F)(F)F)C1 ZINC000309653509 388460350 /nfs/dbraw/zinc/46/03/50/388460350.db2.gz YKUFKXMIFWRMKJ-MXWKQRLJSA-N 1 2 237.309 3.742 20 0 BHADLO CC(C)C1CCC([NH2+][C@H](C)C(F)(F)F)CC1 ZINC000309657047 388460688 /nfs/dbraw/zinc/46/06/88/388460688.db2.gz ZQRVIBMTQLVAHS-KPPDAEKUSA-N 1 2 237.309 3.742 20 0 BHADLO CC(C)C1CCC([NH2+][C@@H](C)C(F)(F)F)CC1 ZINC000309657048 388460523 /nfs/dbraw/zinc/46/05/23/388460523.db2.gz ZQRVIBMTQLVAHS-WHXUTIOJSA-N 1 2 237.309 3.742 20 0 BHADLO CC(C)CC[C@@H]([NH2+][C@@H](C)C(F)(F)F)C1CC1 ZINC000309663758 388460941 /nfs/dbraw/zinc/46/09/41/388460941.db2.gz GVRVYJUQPRQLPD-GXSJLCMTSA-N 1 2 237.309 3.742 20 0 BHADLO CC(C)CC[C@H]([NH2+][C@H](C)C(F)(F)F)C1CC1 ZINC000309663759 388460934 /nfs/dbraw/zinc/46/09/34/388460934.db2.gz GVRVYJUQPRQLPD-KOLCDFICSA-N 1 2 237.309 3.742 20 0 BHADLO CC(C)CC[C@@H]([NH2+][C@H](C)C(F)(F)F)C1CC1 ZINC000309663760 527811552 /nfs/dbraw/zinc/81/15/52/527811552.db2.gz GVRVYJUQPRQLPD-MWLCHTKSSA-N 1 2 237.309 3.742 20 0 BHADLO CC(C)CC[C@H]([NH2+][C@@H](C)C(F)(F)F)C1CC1 ZINC000309663761 388460717 /nfs/dbraw/zinc/46/07/17/388460717.db2.gz GVRVYJUQPRQLPD-ONGXEEELSA-N 1 2 237.309 3.742 20 0 BHADLO CC(C)CC[C@H]1CCC[C@H]1[NH2+]CC(F)(F)F ZINC000309666666 384194366 /nfs/dbraw/zinc/19/43/66/384194366.db2.gz IFJYINFXRROURQ-GHMZBOCLSA-N 1 2 237.309 3.743 20 0 BHADLO CC(C)CC[C@H]1CCC[C@@H]1[NH2+]CC(F)(F)F ZINC000309666667 384194293 /nfs/dbraw/zinc/19/42/93/384194293.db2.gz IFJYINFXRROURQ-MNOVXSKESA-N 1 2 237.309 3.743 20 0 BHADLO CC(C)CC[C@@H]1CCC[C@@H]1[NH2+]CC(F)(F)F ZINC000309666668 384194951 /nfs/dbraw/zinc/19/49/51/384194951.db2.gz IFJYINFXRROURQ-QWRGUYRKSA-N 1 2 237.309 3.743 20 0 BHADLO CC(C)CC[C@@H]1CCC[C@H]1[NH2+]CC(F)(F)F ZINC000309666669 384193395 /nfs/dbraw/zinc/19/33/95/384193395.db2.gz IFJYINFXRROURQ-WDEREUQCSA-N 1 2 237.309 3.743 20 0 BHADLO Cc1ccc(N[C@@H]2CC[C@H]2C(C)C)c(C)[nH+]1 ZINC000309671979 491153631 /nfs/dbraw/zinc/15/36/31/491153631.db2.gz KIODNTOBSFLPDV-GXTWGEPZSA-N 1 2 218.344 3.545 20 0 BHADLO Cc1ccc(N[C@H]2CC[C@H]2C(C)C)c(C)[nH+]1 ZINC000309671980 491153628 /nfs/dbraw/zinc/15/36/28/491153628.db2.gz KIODNTOBSFLPDV-JSGCOSHPSA-N 1 2 218.344 3.545 20 0 BHADLO Cc1ccc(N[C@H]2CC[C@@H]2C(C)C)c(C)[nH+]1 ZINC000309671981 491153587 /nfs/dbraw/zinc/15/35/87/491153587.db2.gz KIODNTOBSFLPDV-OCCSQVGLSA-N 1 2 218.344 3.545 20 0 BHADLO Cc1ccc(N[C@@H]2CC[C@@H]2C(C)C)c(C)[nH+]1 ZINC000309671982 491153604 /nfs/dbraw/zinc/15/36/04/491153604.db2.gz KIODNTOBSFLPDV-TZMCWYRMSA-N 1 2 218.344 3.545 20 0 BHADLO CC(C)CCC[NH2+][C@@H](C(C)(C)C)C(F)(F)F ZINC000309677133 323445209 /nfs/dbraw/zinc/44/52/09/323445209.db2.gz MFCCZDKXZATTOB-JTQLQIEISA-N 1 2 239.325 3.989 20 0 BHADLO CC(C)CCC[NH2+][C@H](C(C)(C)C)C(F)(F)F ZINC000309677134 323445250 /nfs/dbraw/zinc/44/52/50/323445250.db2.gz MFCCZDKXZATTOB-SNVBAGLBSA-N 1 2 239.325 3.989 20 0 BHADLO CSc1ccc(NC2CC(C(C)C)C2)[nH+]c1 ZINC000309688758 384202128 /nfs/dbraw/zinc/20/21/28/384202128.db2.gz IJIKBSVZKGRFTF-UHFFFAOYSA-N 1 2 236.384 3.650 20 0 BHADLO CC(C)CC[C@H](C)[NH2+][C@H](C1CC1)C(F)(F)F ZINC000309694311 388461254 /nfs/dbraw/zinc/46/12/54/388461254.db2.gz QUNZAQZEQFDOME-GXSJLCMTSA-N 1 2 237.309 3.742 20 0 BHADLO CC(C)CC[C@@H](C)[NH2+][C@@H](C1CC1)C(F)(F)F ZINC000309694312 388461164 /nfs/dbraw/zinc/46/11/64/388461164.db2.gz QUNZAQZEQFDOME-KOLCDFICSA-N 1 2 237.309 3.742 20 0 BHADLO CC(C)CC[C@@H](C)[NH2+][C@H](C1CC1)C(F)(F)F ZINC000309694314 388460494 /nfs/dbraw/zinc/46/04/94/388460494.db2.gz QUNZAQZEQFDOME-MWLCHTKSSA-N 1 2 237.309 3.742 20 0 BHADLO CC(C)CC[C@H](C)[NH2+][C@@H](C1CC1)C(F)(F)F ZINC000309694316 388460373 /nfs/dbraw/zinc/46/03/73/388460373.db2.gz QUNZAQZEQFDOME-ONGXEEELSA-N 1 2 237.309 3.742 20 0 BHADLO CCC[C@@H](CC)Nc1cc[nH+]c(C(C)C)n1 ZINC000309709140 169380089 /nfs/dbraw/zinc/38/00/89/169380089.db2.gz PVXKZICSZYFERS-LLVKDONJSA-N 1 2 221.348 3.591 20 0 BHADLO CCC[C@H](CC)Nc1cc[nH+]c(C(C)C)n1 ZINC000309709146 384553524 /nfs/dbraw/zinc/55/35/24/384553524.db2.gz PVXKZICSZYFERS-NSHDSACASA-N 1 2 221.348 3.591 20 0 BHADLO Cc1ccc(C[NH2+]C(C)(C)C(F)F)cc1Cl ZINC000309713143 491154813 /nfs/dbraw/zinc/15/48/13/491154813.db2.gz ROHOAOWKONWBGR-UHFFFAOYSA-N 1 2 247.716 3.782 20 0 BHADLO C[C@H](CCCC(F)(F)F)Nc1cccc[nH+]1 ZINC000309741534 176618025 /nfs/dbraw/zinc/61/80/25/176618025.db2.gz HUMSPYSFBBITBL-SECBINFHSA-N 1 2 232.249 3.615 20 0 BHADLO C[C@@H](CCCC(F)(F)F)Nc1cccc[nH+]1 ZINC000309741535 384569026 /nfs/dbraw/zinc/56/90/26/384569026.db2.gz HUMSPYSFBBITBL-VIFPVBQESA-N 1 2 232.249 3.615 20 0 BHADLO Cc1cc(Cl)ccc1N[C@H](C)c1[nH]cc[nH+]1 ZINC000309780506 491156297 /nfs/dbraw/zinc/15/62/97/491156297.db2.gz MVIJDCUMUKTJRI-SECBINFHSA-N 1 2 235.718 3.545 20 0 BHADLO Cc1cc(Cl)ccc1N[C@@H](C)c1[nH]cc[nH+]1 ZINC000309780507 491156338 /nfs/dbraw/zinc/15/63/38/491156338.db2.gz MVIJDCUMUKTJRI-VIFPVBQESA-N 1 2 235.718 3.545 20 0 BHADLO CC(C)=CCC[C@@H](C)CCNc1c[nH]c[nH+]1 ZINC000309783539 370260746 /nfs/dbraw/zinc/26/07/46/370260746.db2.gz RTYFTQRYYCYIPT-GFCCVEGCSA-N 1 2 221.348 3.594 20 0 BHADLO CC(C)=CCC[C@H](C)CCNc1c[nH]c[nH+]1 ZINC000309783541 347163357 /nfs/dbraw/zinc/16/33/57/347163357.db2.gz RTYFTQRYYCYIPT-LBPRGKRZSA-N 1 2 221.348 3.594 20 0 BHADLO C[C@H](CCC1CCCCC1)Nc1c[nH]c[nH+]1 ZINC000309788793 387228983 /nfs/dbraw/zinc/22/89/83/387228983.db2.gz UASYLSBARUCBBU-LLVKDONJSA-N 1 2 221.348 3.571 20 0 BHADLO C[C@@H](CCC1CCCCC1)Nc1c[nH]c[nH+]1 ZINC000309788794 387230265 /nfs/dbraw/zinc/23/02/65/387230265.db2.gz UASYLSBARUCBBU-NSHDSACASA-N 1 2 221.348 3.571 20 0 BHADLO C[C@@H]([NH2+]C[C@@H](C)C1CCCCC1)C(F)(F)F ZINC000309793907 491156684 /nfs/dbraw/zinc/15/66/84/491156684.db2.gz UXMWIVKDJGUXGM-NXEZZACHSA-N 1 2 237.309 3.743 20 0 BHADLO C[C@@H](C[NH2+][C@@H](C)C(F)(F)F)C1CCCCC1 ZINC000309793908 491156654 /nfs/dbraw/zinc/15/66/54/491156654.db2.gz UXMWIVKDJGUXGM-UWVGGRQHSA-N 1 2 237.309 3.743 20 0 BHADLO C[C@@H](C[NH2+][C@H](C)C(F)(F)F)C1CCCCC1 ZINC000309793909 491156640 /nfs/dbraw/zinc/15/66/40/491156640.db2.gz UXMWIVKDJGUXGM-VHSXEESVSA-N 1 2 237.309 3.743 20 0 BHADLO C[C@H](C[NH2+][C@@H](C)C(F)(F)F)C1CCCCC1 ZINC000309793910 491156669 /nfs/dbraw/zinc/15/66/69/491156669.db2.gz UXMWIVKDJGUXGM-ZJUUUORDSA-N 1 2 237.309 3.743 20 0 BHADLO C[C@@H]1C[C@@H]1C[NH2+][C@@H](CC(C)(C)C)C(F)(F)F ZINC000309826767 388465465 /nfs/dbraw/zinc/46/54/65/388465465.db2.gz XMGYCPJTHMNERU-BBBLOLIVSA-N 1 2 237.309 3.599 20 0 BHADLO C[C@@H]1C[C@H]1C[NH2+][C@H](CC(C)(C)C)C(F)(F)F ZINC000309826770 229469031 /nfs/dbraw/zinc/46/90/31/229469031.db2.gz XMGYCPJTHMNERU-KXUCPTDWSA-N 1 2 237.309 3.599 20 0 BHADLO C[C@@H]1C[C@@H]1C[NH2+][C@H](CC(C)(C)C)C(F)(F)F ZINC000309826771 388465775 /nfs/dbraw/zinc/46/57/75/388465775.db2.gz XMGYCPJTHMNERU-OPRDCNLKSA-N 1 2 237.309 3.599 20 0 BHADLO C[C@@H]1C[C@H]1C[NH2+][C@@H](CC(C)(C)C)C(F)(F)F ZINC000309826774 388465792 /nfs/dbraw/zinc/46/57/92/388465792.db2.gz XMGYCPJTHMNERU-UTLUCORTSA-N 1 2 237.309 3.599 20 0 BHADLO CC[C@H](C)C[NH2+][C@H](c1ccccc1)C(F)F ZINC000309827932 388465733 /nfs/dbraw/zinc/46/57/33/388465733.db2.gz IQPLCPMUJSWHDN-CMPLNLGQSA-N 1 2 227.298 3.629 20 0 BHADLO CC[C@H](C)C[NH2+][C@@H](c1ccccc1)C(F)F ZINC000309827933 388465992 /nfs/dbraw/zinc/46/59/92/388465992.db2.gz IQPLCPMUJSWHDN-JQWIXIFHSA-N 1 2 227.298 3.629 20 0 BHADLO CC[C@@H](C)C[NH2+][C@@H](c1ccccc1)C(F)F ZINC000309827934 388465715 /nfs/dbraw/zinc/46/57/15/388465715.db2.gz IQPLCPMUJSWHDN-PWSUYJOCSA-N 1 2 227.298 3.629 20 0 BHADLO CC[C@@H](C)C[NH2+][C@H](c1ccccc1)C(F)F ZINC000309827935 388465872 /nfs/dbraw/zinc/46/58/72/388465872.db2.gz IQPLCPMUJSWHDN-ZYHUDNBSSA-N 1 2 227.298 3.629 20 0 BHADLO Cc1cc(C[NH2+][C@@H]2CCCC2(F)F)c(C)s1 ZINC000309835224 632854615 /nfs/dbraw/zinc/85/46/15/632854615.db2.gz AXPOIDXDPRCCMQ-LLVKDONJSA-N 1 2 245.338 3.642 20 0 BHADLO Cc1cc(C[NH2+][C@H]2CCCC2(F)F)c(C)s1 ZINC000309835227 632854298 /nfs/dbraw/zinc/85/42/98/632854298.db2.gz AXPOIDXDPRCCMQ-NSHDSACASA-N 1 2 245.338 3.642 20 0 BHADLO CSc1ccc(N[C@H]2CC[C@@H]2C(C)C)[nH+]c1 ZINC000309837748 538111040 /nfs/dbraw/zinc/11/10/40/538111040.db2.gz BQTLNQAVTXLNSE-NEPJUHHUSA-N 1 2 236.384 3.650 20 0 BHADLO CSc1ccc(N[C@@H]2CC[C@H]2C(C)C)[nH+]c1 ZINC000309837750 491100454 /nfs/dbraw/zinc/10/04/54/491100454.db2.gz BQTLNQAVTXLNSE-NWDGAFQWSA-N 1 2 236.384 3.650 20 0 BHADLO CSc1ccc(N[C@H]2CC[C@H]2C(C)C)[nH+]c1 ZINC000309837754 538111029 /nfs/dbraw/zinc/11/10/29/538111029.db2.gz BQTLNQAVTXLNSE-RYUDHWBXSA-N 1 2 236.384 3.650 20 0 BHADLO CSc1ccc(N[C@@H]2CC[C@@H]2C(C)C)[nH+]c1 ZINC000309837759 538111032 /nfs/dbraw/zinc/11/10/32/538111032.db2.gz BQTLNQAVTXLNSE-VXGBXAGGSA-N 1 2 236.384 3.650 20 0 BHADLO Cc1ccc(C[NH2+]C2(C(F)F)CCCC2)s1 ZINC000309838079 538111034 /nfs/dbraw/zinc/11/10/34/538111034.db2.gz BWBQHPXNEAJKAV-UHFFFAOYSA-N 1 2 245.338 3.724 20 0 BHADLO Cc1[nH+]cccc1NC1CCC2(CC2)CC1 ZINC000309842314 180225902 /nfs/dbraw/zinc/22/59/02/180225902.db2.gz DWCUTVJTPCCXSW-UHFFFAOYSA-N 1 2 216.328 3.525 20 0 BHADLO Cc1cc[nH+]c(NCC2CC(F)(F)C2)c1Cl ZINC000309846364 537786271 /nfs/dbraw/zinc/78/62/71/537786271.db2.gz GUTHPGUAECUDGO-UHFFFAOYSA-N 1 2 246.688 3.501 20 0 BHADLO COc1cc(C)ccc1[NH2+][C@H](C)C1CCC1 ZINC000309849576 384445150 /nfs/dbraw/zinc/44/51/50/384445150.db2.gz IMFYFXSSIZDWJI-LLVKDONJSA-N 1 2 219.328 3.604 20 0 BHADLO COc1cc(C)ccc1[NH2+][C@@H](C)C1CCC1 ZINC000309849577 384445093 /nfs/dbraw/zinc/44/50/93/384445093.db2.gz IMFYFXSSIZDWJI-NSHDSACASA-N 1 2 219.328 3.604 20 0 BHADLO Cc1ccc(NC2CCC3(CC3)CC2)c[nH+]1 ZINC000309855424 384670131 /nfs/dbraw/zinc/67/01/31/384670131.db2.gz KGAGFFAVMRXSAL-UHFFFAOYSA-N 1 2 216.328 3.525 20 0 BHADLO COc1cc(SC)ccc1[NH2+]CCC(C)C ZINC000309860763 388466704 /nfs/dbraw/zinc/46/67/04/388466704.db2.gz MKPZZBOPZVJKKZ-UHFFFAOYSA-N 1 2 239.384 3.875 20 0 BHADLO Cc1cc(Cl)ccc1C[NH2+]C1(C(F)F)CC1 ZINC000309861560 533780534 /nfs/dbraw/zinc/78/05/34/533780534.db2.gz MTYZFOXPYFJDBC-UHFFFAOYSA-N 1 2 245.700 3.536 20 0 BHADLO CC[C@@H]([NH2+][C@@H](C)C(F)(F)F)C1CCCCC1 ZINC000309874410 388467460 /nfs/dbraw/zinc/46/74/60/388467460.db2.gz RZWRFQQIMGOODM-GXSJLCMTSA-N 1 2 237.309 3.886 20 0 BHADLO CC[C@H]([NH2+][C@H](C)C(F)(F)F)C1CCCCC1 ZINC000309874411 388467572 /nfs/dbraw/zinc/46/75/72/388467572.db2.gz RZWRFQQIMGOODM-KOLCDFICSA-N 1 2 237.309 3.886 20 0 BHADLO CC[C@@H]([NH2+][C@H](C)C(F)(F)F)C1CCCCC1 ZINC000309874412 388467325 /nfs/dbraw/zinc/46/73/25/388467325.db2.gz RZWRFQQIMGOODM-MWLCHTKSSA-N 1 2 237.309 3.886 20 0 BHADLO CC[C@H]([NH2+][C@@H](C)C(F)(F)F)C1CCCCC1 ZINC000309874414 388467769 /nfs/dbraw/zinc/46/77/69/388467769.db2.gz RZWRFQQIMGOODM-ONGXEEELSA-N 1 2 237.309 3.886 20 0 BHADLO COc1cc(C)ccc1[NH2+]CC1(C)CCC1 ZINC000309879325 491157871 /nfs/dbraw/zinc/15/78/71/491157871.db2.gz USMKLPNXSRWDRZ-UHFFFAOYSA-N 1 2 219.328 3.606 20 0 BHADLO CCOc1cc(C)ccc1[NH2+]CCC1CC1 ZINC000309890143 491157811 /nfs/dbraw/zinc/15/78/11/491157811.db2.gz CEFLWNPTSATNPW-UHFFFAOYSA-N 1 2 219.328 3.606 20 0 BHADLO CSc1ccc(N[C@@H](C)CCC2CC2)[nH+]c1 ZINC000309893986 187311285 /nfs/dbraw/zinc/31/12/85/187311285.db2.gz FABKDJAPALQICD-JTQLQIEISA-N 1 2 236.384 3.794 20 0 BHADLO CSc1ccc(N[C@H](C)CCC2CC2)[nH+]c1 ZINC000309893992 384698473 /nfs/dbraw/zinc/69/84/73/384698473.db2.gz FABKDJAPALQICD-SNVBAGLBSA-N 1 2 236.384 3.794 20 0 BHADLO CSc1ccc(N[C@@H]2CC=C(C)CC2)[nH+]c1 ZINC000309907584 343091300 /nfs/dbraw/zinc/09/13/00/343091300.db2.gz LAPDEKWUWGEBAK-LLVKDONJSA-N 1 2 234.368 3.714 20 0 BHADLO CSc1ccc(N[C@H]2CC=C(C)CC2)[nH+]c1 ZINC000309907585 343091375 /nfs/dbraw/zinc/09/13/75/343091375.db2.gz LAPDEKWUWGEBAK-NSHDSACASA-N 1 2 234.368 3.714 20 0 BHADLO CCOc1cc(C)ccc1[NH2+]CC1(C)CC1 ZINC000309908897 370275056 /nfs/dbraw/zinc/27/50/56/370275056.db2.gz LMUFVTJXCFRNPE-UHFFFAOYSA-N 1 2 219.328 3.606 20 0 BHADLO CSc1ccc(N[C@@H]2CCC23CCC3)[nH+]c1 ZINC000309916923 188000540 /nfs/dbraw/zinc/00/05/40/188000540.db2.gz PWMBMSULSUMFGA-LLVKDONJSA-N 1 2 234.368 3.548 20 0 BHADLO CSc1ccc(N[C@H]2CCC23CCC3)[nH+]c1 ZINC000309916930 384722047 /nfs/dbraw/zinc/72/20/47/384722047.db2.gz PWMBMSULSUMFGA-NSHDSACASA-N 1 2 234.368 3.548 20 0 BHADLO CCOc1cc(C)ccc1[NH2+]CCCCF ZINC000309924421 384718115 /nfs/dbraw/zinc/71/81/15/384718115.db2.gz UPIIKJUUNHZFFA-UHFFFAOYSA-N 1 2 225.307 3.555 20 0 BHADLO CCSCc1cc[nH+]c(N[C@@H]2CC[C@@H]2C)c1 ZINC000309925844 633947230 /nfs/dbraw/zinc/94/72/30/633947230.db2.gz VEVPTTCYCWCJDP-CMPLNLGQSA-N 1 2 236.384 3.545 20 0 BHADLO CCSCc1cc[nH+]c(N[C@H]2CC[C@@H]2C)c1 ZINC000309925847 633946752 /nfs/dbraw/zinc/94/67/52/633946752.db2.gz VEVPTTCYCWCJDP-JQWIXIFHSA-N 1 2 236.384 3.545 20 0 BHADLO CCSCc1cc[nH+]c(N[C@H]2CC[C@H]2C)c1 ZINC000309925849 633947180 /nfs/dbraw/zinc/94/71/80/633947180.db2.gz VEVPTTCYCWCJDP-PWSUYJOCSA-N 1 2 236.384 3.545 20 0 BHADLO CCSCc1cc[nH+]c(N[C@@H]2CC[C@H]2C)c1 ZINC000309925852 633947663 /nfs/dbraw/zinc/94/76/63/633947663.db2.gz VEVPTTCYCWCJDP-ZYHUDNBSSA-N 1 2 236.384 3.545 20 0 BHADLO CC[C@H]([NH2+]C[C@H]1CCCC[C@@H]1C)C(F)(F)F ZINC000309928575 388469147 /nfs/dbraw/zinc/46/91/47/388469147.db2.gz WSEZEGLSUJOCNF-AXFHLTTASA-N 1 2 237.309 3.743 20 0 BHADLO CC[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1C)C(F)(F)F ZINC000309928576 388468549 /nfs/dbraw/zinc/46/85/49/388468549.db2.gz WSEZEGLSUJOCNF-DCAQKATOSA-N 1 2 237.309 3.743 20 0 BHADLO CC[C@H]([NH2+]C[C@H]1CCCC[C@H]1C)C(F)(F)F ZINC000309928577 388468694 /nfs/dbraw/zinc/46/86/94/388468694.db2.gz WSEZEGLSUJOCNF-MXWKQRLJSA-N 1 2 237.309 3.743 20 0 BHADLO CC[C@H]([NH2+]C[C@@H]1CCCC[C@H]1C)C(F)(F)F ZINC000309928578 388468944 /nfs/dbraw/zinc/46/89/44/388468944.db2.gz WSEZEGLSUJOCNF-VWYCJHECSA-N 1 2 237.309 3.743 20 0 BHADLO CC[C@H]([NH2+]CCC1CCCCC1)C(F)(F)F ZINC000309933663 388468780 /nfs/dbraw/zinc/46/87/80/388468780.db2.gz YZPTWTVUWWPTAH-NSHDSACASA-N 1 2 237.309 3.887 20 0 BHADLO CCc1ccc(C[NH2+][C@@H]2CCCC2(F)F)s1 ZINC000309951460 491158787 /nfs/dbraw/zinc/15/87/87/491158787.db2.gz GFUXMKCOGRSKMS-LLVKDONJSA-N 1 2 245.338 3.588 20 0 BHADLO CCc1ccc(C[NH2+][C@H]2CCCC2(F)F)s1 ZINC000309951461 491158800 /nfs/dbraw/zinc/15/88/00/491158800.db2.gz GFUXMKCOGRSKMS-NSHDSACASA-N 1 2 245.338 3.588 20 0 BHADLO CC[C@H]([NH2+][C@@H]1CCC[C@@H](C)[C@H]1C)C(F)(F)F ZINC000309972176 388470653 /nfs/dbraw/zinc/47/06/53/388470653.db2.gz QBLWPJZSZGYZBW-DBIOUOCHSA-N 1 2 237.309 3.742 20 0 BHADLO CC[C@H]([NH2+][C@@H]1CCC[C@H](C)[C@@H]1C)C(F)(F)F ZINC000309972180 388471148 /nfs/dbraw/zinc/47/11/48/388471148.db2.gz QBLWPJZSZGYZBW-MMWGEVLESA-N 1 2 237.309 3.742 20 0 BHADLO CC[C@H]([NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C)C(F)(F)F ZINC000309972183 388471428 /nfs/dbraw/zinc/47/14/28/388471428.db2.gz QBLWPJZSZGYZBW-YTWAJWBKSA-N 1 2 237.309 3.742 20 0 BHADLO CC[C@H]([NH2+][C@@H]1CCC[C@H](C)[C@H]1C)C(F)(F)F ZINC000309972187 388470834 /nfs/dbraw/zinc/47/08/34/388470834.db2.gz QBLWPJZSZGYZBW-ZDCRXTMVSA-N 1 2 237.309 3.742 20 0 BHADLO CC[C@H]([NH2+]C1CCC2(CC2)CC1)C(F)(F)F ZINC000309975382 384754479 /nfs/dbraw/zinc/75/44/79/384754479.db2.gz SHMQAJZQUKBMQY-JTQLQIEISA-N 1 2 235.293 3.640 20 0 BHADLO CC[C@@H](C)CNc1ccc([NH+](C)C)c(C)c1 ZINC000309991532 634047489 /nfs/dbraw/zinc/04/74/89/634047489.db2.gz BFLVGNYAYBZPGE-LLVKDONJSA-N 1 2 220.360 3.519 20 0 BHADLO CC[C@H](C)CNc1ccc([NH+](C)C)c(C)c1 ZINC000309991533 634046277 /nfs/dbraw/zinc/04/62/77/634046277.db2.gz BFLVGNYAYBZPGE-NSHDSACASA-N 1 2 220.360 3.519 20 0 BHADLO CC[C@@H]1CCC[C@H](C[NH2+][C@@H](C)C(F)(F)F)C1 ZINC000309995909 388470869 /nfs/dbraw/zinc/47/08/69/388470869.db2.gz CEDIFTGHRPGIGG-AXFHLTTASA-N 1 2 237.309 3.743 20 0 BHADLO CC[C@@H]1CCC[C@@H](C[NH2+][C@H](C)C(F)(F)F)C1 ZINC000309995912 388470585 /nfs/dbraw/zinc/47/05/85/388470585.db2.gz CEDIFTGHRPGIGG-GMTAPVOTSA-N 1 2 237.309 3.743 20 0 BHADLO CC[C@@H]1CCC[C@@H](C[NH2+][C@@H](C)C(F)(F)F)C1 ZINC000309995914 388470818 /nfs/dbraw/zinc/47/08/18/388470818.db2.gz CEDIFTGHRPGIGG-HBNTYKKESA-N 1 2 237.309 3.743 20 0 BHADLO CC[C@@H]1CCC[C@H](C[NH2+][C@H](C)C(F)(F)F)C1 ZINC000309995916 529313018 /nfs/dbraw/zinc/31/30/18/529313018.db2.gz CEDIFTGHRPGIGG-MXWKQRLJSA-N 1 2 237.309 3.743 20 0 BHADLO CC[C@@H]([NH2+]C1(C(F)F)CC1)c1ccccc1 ZINC000310005073 170889830 /nfs/dbraw/zinc/88/98/30/170889830.db2.gz GHDWMBTXXSUHQA-LLVKDONJSA-N 1 2 225.282 3.525 20 0 BHADLO CC[C@H]([NH2+]C1(C(F)F)CC1)c1ccccc1 ZINC000310005074 171514495 /nfs/dbraw/zinc/51/44/95/171514495.db2.gz GHDWMBTXXSUHQA-NSHDSACASA-N 1 2 225.282 3.525 20 0 BHADLO CC[C@H](C)C[NH2+]c1ccc(SC)cc1OC ZINC000310021371 529669407 /nfs/dbraw/zinc/66/94/07/529669407.db2.gz NMMZSCQKPSOSTF-JTQLQIEISA-N 1 2 239.384 3.875 20 0 BHADLO CC[C@@H](C)C[NH2+]c1ccc(SC)cc1OC ZINC000310021372 388473629 /nfs/dbraw/zinc/47/36/29/388473629.db2.gz NMMZSCQKPSOSTF-SNVBAGLBSA-N 1 2 239.384 3.875 20 0 BHADLO CCC[C@@H]1CCCC[C@H]1Nc1cccc[nH+]1 ZINC000310027609 384793073 /nfs/dbraw/zinc/79/30/73/384793073.db2.gz QBRHXLMZIWNYHQ-CHWSQXEVSA-N 1 2 218.344 3.852 20 0 BHADLO CCC[C@@H]1CCCC[C@@H]1Nc1cccc[nH+]1 ZINC000310027611 343215312 /nfs/dbraw/zinc/21/53/12/343215312.db2.gz QBRHXLMZIWNYHQ-OLZOCXBDSA-N 1 2 218.344 3.852 20 0 BHADLO CCC[C@H]1CCCC[C@H]1Nc1cccc[nH+]1 ZINC000310027612 343215202 /nfs/dbraw/zinc/21/52/02/343215202.db2.gz QBRHXLMZIWNYHQ-QWHCGFSZSA-N 1 2 218.344 3.852 20 0 BHADLO CCC[C@H]1CCCC[C@@H]1Nc1cccc[nH+]1 ZINC000310027614 343215332 /nfs/dbraw/zinc/21/53/32/343215332.db2.gz QBRHXLMZIWNYHQ-STQMWFEESA-N 1 2 218.344 3.852 20 0 BHADLO CC[C@@H](C)Nc1[nH+]ccc2ccc(F)cc21 ZINC000310034366 384800581 /nfs/dbraw/zinc/80/05/81/384800581.db2.gz SLDGXWKENFWIRN-SECBINFHSA-N 1 2 218.275 3.584 20 0 BHADLO CC[C@H](C)Nc1[nH+]ccc2ccc(F)cc21 ZINC000310034367 171350683 /nfs/dbraw/zinc/35/06/83/171350683.db2.gz SLDGXWKENFWIRN-VIFPVBQESA-N 1 2 218.275 3.584 20 0 BHADLO Cc1cc2ccccc2[nH+]c1N[C@H]1CC[C@@H]1C ZINC000310102713 491160390 /nfs/dbraw/zinc/16/03/90/491160390.db2.gz YNTXUMGPGNJQJE-GWCFXTLKSA-N 1 2 226.323 3.754 20 0 BHADLO Cc1cc2ccccc2[nH+]c1N[C@@H]1CC[C@@H]1C ZINC000310102716 491160349 /nfs/dbraw/zinc/16/03/49/491160349.db2.gz YNTXUMGPGNJQJE-GXFFZTMASA-N 1 2 226.323 3.754 20 0 BHADLO Cc1cc2ccccc2[nH+]c1N[C@H]1CC[C@H]1C ZINC000310102718 491160339 /nfs/dbraw/zinc/16/03/39/491160339.db2.gz YNTXUMGPGNJQJE-MFKMUULPSA-N 1 2 226.323 3.754 20 0 BHADLO Cc1cc2ccccc2[nH+]c1N[C@@H]1CC[C@H]1C ZINC000310102720 491160383 /nfs/dbraw/zinc/16/03/83/491160383.db2.gz YNTXUMGPGNJQJE-ZWNOBZJWSA-N 1 2 226.323 3.754 20 0 BHADLO CC1(Cn2c[nH+]c3cc(F)c(F)cc32)CCC1 ZINC000310110049 488004820 /nfs/dbraw/zinc/00/48/20/488004820.db2.gz FDDXMCFZQVOXDH-UHFFFAOYSA-N 1 2 236.265 3.505 20 0 BHADLO Cc1ccc(NC(C2CCC2)C2CCC2)c[nH+]1 ZINC000310112451 388475572 /nfs/dbraw/zinc/47/55/72/388475572.db2.gz QIROSSJXZXQFRD-UHFFFAOYSA-N 1 2 230.355 3.771 20 0 BHADLO COc1cc(C)ccc1[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000310265444 487489889 /nfs/dbraw/zinc/48/98/89/487489889.db2.gz RKJMDPVGLJTFOM-YNEHKIRRSA-N 1 2 231.339 3.604 20 0 BHADLO c1ccc2c(c1)cc[nH+]c2N1CCCCCC1 ZINC000310284060 323129977 /nfs/dbraw/zinc/12/99/77/323129977.db2.gz LPEGRSVWIRZRSQ-UHFFFAOYSA-N 1 2 226.323 3.615 20 0 BHADLO Cc1cc(CNc2ccc([NH+](C)C)cc2)cs1 ZINC000310321191 632724247 /nfs/dbraw/zinc/72/42/47/632724247.db2.gz WXOIDJATHMUZOZ-UHFFFAOYSA-N 1 2 246.379 3.735 20 0 BHADLO CC1(C)CC[C@H]1Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000310378555 188001333 /nfs/dbraw/zinc/00/13/33/188001333.db2.gz PCLMTMMZRVEVQP-SECBINFHSA-N 1 2 244.260 3.701 20 0 BHADLO CC1(C)CC[C@@H]1Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000310378556 347273556 /nfs/dbraw/zinc/27/35/56/347273556.db2.gz PCLMTMMZRVEVQP-VIFPVBQESA-N 1 2 244.260 3.701 20 0 BHADLO Cc1sccc1CNc1ccc([NH+](C)C)cc1 ZINC000310433449 632740624 /nfs/dbraw/zinc/74/06/24/632740624.db2.gz TXSXREYYOINVCT-UHFFFAOYSA-N 1 2 246.379 3.735 20 0 BHADLO C[C@@H]1SCC[C@H]1Nc1ccc2ccccc2[nH+]1 ZINC000310539916 411241064 /nfs/dbraw/zinc/24/10/64/411241064.db2.gz BXOFEIXGGSAKDL-CMPLNLGQSA-N 1 2 244.363 3.541 20 0 BHADLO C[C@@H]1SCC[C@@H]1Nc1ccc2ccccc2[nH+]1 ZINC000310539917 411241224 /nfs/dbraw/zinc/24/12/24/411241224.db2.gz BXOFEIXGGSAKDL-JQWIXIFHSA-N 1 2 244.363 3.541 20 0 BHADLO C[C@H]1SCC[C@@H]1Nc1ccc2ccccc2[nH+]1 ZINC000310539918 411241181 /nfs/dbraw/zinc/24/11/81/411241181.db2.gz BXOFEIXGGSAKDL-PWSUYJOCSA-N 1 2 244.363 3.541 20 0 BHADLO C[C@H]1SCC[C@H]1Nc1ccc2ccccc2[nH+]1 ZINC000310539919 411241322 /nfs/dbraw/zinc/24/13/22/411241322.db2.gz BXOFEIXGGSAKDL-ZYHUDNBSSA-N 1 2 244.363 3.541 20 0 BHADLO CC(C)C[N@@H+](CCCCCCO)c1ccccc1 ZINC000310685198 636322687 /nfs/dbraw/zinc/32/26/87/636322687.db2.gz MCFRKRRWEYWYLG-UHFFFAOYSA-N 1 2 249.398 3.702 20 0 BHADLO CC(C)C[N@H+](CCCCCCO)c1ccccc1 ZINC000310685198 636322683 /nfs/dbraw/zinc/32/26/83/636322683.db2.gz MCFRKRRWEYWYLG-UHFFFAOYSA-N 1 2 249.398 3.702 20 0 BHADLO Cc1cc(N(C)C)ccc1[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000310895619 633015314 /nfs/dbraw/zinc/01/53/14/633015314.db2.gz ZZBMDFQMOWIGBM-JGGQBBKZSA-N 1 2 244.382 3.662 20 0 BHADLO Cc1cc([NH+](C)C)ccc1N[C@@H]1CCC[C@H]2C[C@H]21 ZINC000310895619 633015310 /nfs/dbraw/zinc/01/53/10/633015310.db2.gz ZZBMDFQMOWIGBM-JGGQBBKZSA-N 1 2 244.382 3.662 20 0 BHADLO C[C@@H]1C[C@@H]([NH2+]c2ccc(N3CCCC3)cc2)[C@H]1C ZINC000311089604 633066674 /nfs/dbraw/zinc/06/66/74/633066674.db2.gz NRHDHFDNGVWTKQ-DVOMOZLQSA-N 1 2 244.382 3.743 20 0 BHADLO C[C@@H]1C[C@@H](Nc2ccc([NH+]3CCCC3)cc2)[C@H]1C ZINC000311089604 633066672 /nfs/dbraw/zinc/06/66/72/633066672.db2.gz NRHDHFDNGVWTKQ-DVOMOZLQSA-N 1 2 244.382 3.743 20 0 BHADLO C[C@@H]1C[C@H]([NH2+]c2ccc(N3CCCC3)cc2)[C@@H]1C ZINC000311089606 633066527 /nfs/dbraw/zinc/06/65/27/633066527.db2.gz NRHDHFDNGVWTKQ-IOASZLSFSA-N 1 2 244.382 3.743 20 0 BHADLO C[C@@H]1C[C@H](Nc2ccc([NH+]3CCCC3)cc2)[C@@H]1C ZINC000311089606 633066525 /nfs/dbraw/zinc/06/65/25/633066525.db2.gz NRHDHFDNGVWTKQ-IOASZLSFSA-N 1 2 244.382 3.743 20 0 BHADLO C[C@@H]1C[C@H]([NH2+]c2ccc(N3CCCC3)cc2)[C@H]1C ZINC000311089609 639289340 /nfs/dbraw/zinc/28/93/40/639289340.db2.gz NRHDHFDNGVWTKQ-WWGRRREGSA-N 1 2 244.382 3.743 20 0 BHADLO C[C@@H]1C[C@H](Nc2ccc([NH+]3CCCC3)cc2)[C@H]1C ZINC000311089609 639289334 /nfs/dbraw/zinc/28/93/34/639289334.db2.gz NRHDHFDNGVWTKQ-WWGRRREGSA-N 1 2 244.382 3.743 20 0 BHADLO C[C@@H]1C[C@@H]([NH2+]c2ccc(N3CCCC3)cc2)[C@@H]1C ZINC000311089611 639288164 /nfs/dbraw/zinc/28/81/64/639288164.db2.gz NRHDHFDNGVWTKQ-XJKCOSOUSA-N 1 2 244.382 3.743 20 0 BHADLO C[C@@H]1C[C@@H](Nc2ccc([NH+]3CCCC3)cc2)[C@@H]1C ZINC000311089611 639288159 /nfs/dbraw/zinc/28/81/59/639288159.db2.gz NRHDHFDNGVWTKQ-XJKCOSOUSA-N 1 2 244.382 3.743 20 0 BHADLO FC(F)(F)C[NH2+][C@H]1CCCC12CCCCC2 ZINC000313122226 410000381 /nfs/dbraw/zinc/00/03/81/410000381.db2.gz RTEOGYBFTZAXRM-JTQLQIEISA-N 1 2 235.293 3.641 20 0 BHADLO FC(F)(F)C[NH2+][C@@H]1CCCC12CCCCC2 ZINC000313122231 410000747 /nfs/dbraw/zinc/00/07/47/410000747.db2.gz RTEOGYBFTZAXRM-SNVBAGLBSA-N 1 2 235.293 3.641 20 0 BHADLO Cc1occc1CNc1ccc([NH+](C)C)cc1C ZINC000320932827 643993711 /nfs/dbraw/zinc/99/37/11/643993711.db2.gz LCXLIOZCZYLMNO-UHFFFAOYSA-N 1 2 244.338 3.575 20 0 BHADLO Cc1ccnc(CNc2ccc3ccccc3[nH+]2)c1 ZINC000328116825 187392845 /nfs/dbraw/zinc/39/28/45/187392845.db2.gz PKANMOUCFKOYPV-UHFFFAOYSA-N 1 2 249.317 3.550 20 0 BHADLO CC1=CC[N@@H+]([C@H](C)c2ncc(C(C)(C)C)o2)CC1 ZINC000334153491 168117401 /nfs/dbraw/zinc/11/74/01/168117401.db2.gz OPGWKOJERVQSLD-GFCCVEGCSA-N 1 2 248.370 3.685 20 0 BHADLO CC1=CC[N@H+]([C@H](C)c2ncc(C(C)(C)C)o2)CC1 ZINC000334153491 168117398 /nfs/dbraw/zinc/11/73/98/168117398.db2.gz OPGWKOJERVQSLD-GFCCVEGCSA-N 1 2 248.370 3.685 20 0 BHADLO CC1=CC[N@@H+]([C@@H](C)c2ncc(C(C)(C)C)o2)CC1 ZINC000334153492 168117608 /nfs/dbraw/zinc/11/76/08/168117608.db2.gz OPGWKOJERVQSLD-LBPRGKRZSA-N 1 2 248.370 3.685 20 0 BHADLO CC1=CC[N@H+]([C@@H](C)c2ncc(C(C)(C)C)o2)CC1 ZINC000334153492 168117605 /nfs/dbraw/zinc/11/76/05/168117605.db2.gz OPGWKOJERVQSLD-LBPRGKRZSA-N 1 2 248.370 3.685 20 0 BHADLO Cc1cnc(C[N@H+]2Cc3ccccc3[C@H]2C)s1 ZINC000334443880 386065028 /nfs/dbraw/zinc/06/50/28/386065028.db2.gz MRJXHDNEUZUKLX-LLVKDONJSA-N 1 2 244.363 3.528 20 0 BHADLO Cc1cnc(C[N@@H+]2Cc3ccccc3[C@H]2C)s1 ZINC000334443880 386065022 /nfs/dbraw/zinc/06/50/22/386065022.db2.gz MRJXHDNEUZUKLX-LLVKDONJSA-N 1 2 244.363 3.528 20 0 BHADLO Cc1cnc(C[N@H+]2Cc3ccccc3[C@@H]2C)s1 ZINC000334443881 386066149 /nfs/dbraw/zinc/06/61/49/386066149.db2.gz MRJXHDNEUZUKLX-NSHDSACASA-N 1 2 244.363 3.528 20 0 BHADLO Cc1cnc(C[N@@H+]2Cc3ccccc3[C@@H]2C)s1 ZINC000334443881 386066143 /nfs/dbraw/zinc/06/61/43/386066143.db2.gz MRJXHDNEUZUKLX-NSHDSACASA-N 1 2 244.363 3.528 20 0 BHADLO Cc1nc(C[N@H+]2Cc3ccccc3[C@@H]2C)cs1 ZINC000334608410 354315696 /nfs/dbraw/zinc/31/56/96/354315696.db2.gz RLRIBXPJGZOLQF-JTQLQIEISA-N 1 2 244.363 3.528 20 0 BHADLO Cc1nc(C[N@@H+]2Cc3ccccc3[C@@H]2C)cs1 ZINC000334608410 354315694 /nfs/dbraw/zinc/31/56/94/354315694.db2.gz RLRIBXPJGZOLQF-JTQLQIEISA-N 1 2 244.363 3.528 20 0 BHADLO Cc1nc(C[N@H+]2Cc3ccccc3[C@H]2C)cs1 ZINC000334608411 354315451 /nfs/dbraw/zinc/31/54/51/354315451.db2.gz RLRIBXPJGZOLQF-SNVBAGLBSA-N 1 2 244.363 3.528 20 0 BHADLO Cc1nc(C[N@@H+]2Cc3ccccc3[C@H]2C)cs1 ZINC000334608411 354315446 /nfs/dbraw/zinc/31/54/46/354315446.db2.gz RLRIBXPJGZOLQF-SNVBAGLBSA-N 1 2 244.363 3.528 20 0 BHADLO c1csc(CNc2ccc3c(c2)CCC[NH2+]3)c1 ZINC000334861882 386916201 /nfs/dbraw/zinc/91/62/01/386916201.db2.gz HMTUKJXCBAIMPT-UHFFFAOYSA-N 1 2 244.363 3.718 20 0 BHADLO c1cc(CNc2ccc3c(c2)CCC[NH2+]3)cs1 ZINC000334866056 386920982 /nfs/dbraw/zinc/92/09/82/386920982.db2.gz VXNJTOMQYSMGGR-UHFFFAOYSA-N 1 2 244.363 3.718 20 0 BHADLO Cc1ccc([C@@H](C)Nc2ccc3c(c2)CC[NH2+]3)o1 ZINC000335011547 387106371 /nfs/dbraw/zinc/10/63/71/387106371.db2.gz UQHZQCQAFCAFCD-LLVKDONJSA-N 1 2 242.322 3.729 20 0 BHADLO Cc1ccc([C@H](C)Nc2ccc3c(c2)CC[NH2+]3)o1 ZINC000335011548 135865023 /nfs/dbraw/zinc/86/50/23/135865023.db2.gz UQHZQCQAFCAFCD-NSHDSACASA-N 1 2 242.322 3.729 20 0 BHADLO C[C@H](Nc1ccc2c(c1)CC[NH2+]2)c1ccsc1 ZINC000335051710 385948046 /nfs/dbraw/zinc/94/80/46/385948046.db2.gz DEUXQQORGULZDJ-JTQLQIEISA-N 1 2 244.363 3.889 20 0 BHADLO C[C@@H](Nc1ccc2c(c1)CC[NH2+]2)c1ccsc1 ZINC000335051761 385948435 /nfs/dbraw/zinc/94/84/35/385948435.db2.gz DEUXQQORGULZDJ-SNVBAGLBSA-N 1 2 244.363 3.889 20 0 BHADLO C[C@H](Nc1ccc2c(c1)CC[NH2+]2)c1cccs1 ZINC000335054135 135874553 /nfs/dbraw/zinc/87/45/53/135874553.db2.gz LXZLQFYOGHKFKK-JTQLQIEISA-N 1 2 244.363 3.889 20 0 BHADLO C[C@@H](Nc1ccc2c(c1)CC[NH2+]2)c1cccs1 ZINC000335054136 385953824 /nfs/dbraw/zinc/95/38/24/385953824.db2.gz LXZLQFYOGHKFKK-SNVBAGLBSA-N 1 2 244.363 3.889 20 0 BHADLO Cc1ccc(CSc2ccncc2C)c(C)[nH+]1 ZINC000335057208 385958378 /nfs/dbraw/zinc/95/83/78/385958378.db2.gz CLBBLZDRXJRBQH-UHFFFAOYSA-N 1 2 244.363 3.694 20 0 BHADLO FC(F)(F)CC[N@H+]1Cc2ccc(Cl)cc2C1 ZINC000335160083 354911476 /nfs/dbraw/zinc/91/14/76/354911476.db2.gz NUIIUQALSIEORJ-UHFFFAOYSA-N 1 2 249.663 3.608 20 0 BHADLO FC(F)(F)CC[N@@H+]1Cc2ccc(Cl)cc2C1 ZINC000335160083 354911473 /nfs/dbraw/zinc/91/14/73/354911473.db2.gz NUIIUQALSIEORJ-UHFFFAOYSA-N 1 2 249.663 3.608 20 0 BHADLO Cc1cc[nH+]c(C)c1NC(=O)CC1=CCCCC1 ZINC000335414911 386581715 /nfs/dbraw/zinc/58/17/15/386581715.db2.gz MTMLSMYKQFWQLD-UHFFFAOYSA-N 1 2 244.338 3.527 20 0 BHADLO Cc1cc[nH+]c(C)c1NC(=O)CC1(C)CCCC1 ZINC000335514704 386652206 /nfs/dbraw/zinc/65/22/06/386652206.db2.gz KLNUTAXYTJYCLJ-UHFFFAOYSA-N 1 2 246.354 3.607 20 0 BHADLO Cc1cc[nH+]c(C)c1NC(=O)C1CCCCCC1 ZINC000335531474 386681499 /nfs/dbraw/zinc/68/14/99/386681499.db2.gz PQUOWQBROVWEOG-UHFFFAOYSA-N 1 2 246.354 3.607 20 0 BHADLO Cc1cc[nH+]c(C)c1NC(=O)CC1CCCCC1 ZINC000335532534 386683823 /nfs/dbraw/zinc/68/38/23/386683823.db2.gz VDYVZLKAPLEKCX-UHFFFAOYSA-N 1 2 246.354 3.607 20 0 BHADLO Cc1csc(C[N@H+]2Cc3ccccc3[C@H]2C)n1 ZINC000335679760 136319882 /nfs/dbraw/zinc/31/98/82/136319882.db2.gz SMHZPXNJRDUEIE-LLVKDONJSA-N 1 2 244.363 3.528 20 0 BHADLO Cc1csc(C[N@@H+]2Cc3ccccc3[C@H]2C)n1 ZINC000335679760 136319881 /nfs/dbraw/zinc/31/98/81/136319881.db2.gz SMHZPXNJRDUEIE-LLVKDONJSA-N 1 2 244.363 3.528 20 0 BHADLO Cc1csc(C[N@H+]2Cc3ccccc3[C@@H]2C)n1 ZINC000335679761 136319822 /nfs/dbraw/zinc/31/98/22/136319822.db2.gz SMHZPXNJRDUEIE-NSHDSACASA-N 1 2 244.363 3.528 20 0 BHADLO Cc1csc(C[N@@H+]2Cc3ccccc3[C@@H]2C)n1 ZINC000335679761 136319821 /nfs/dbraw/zinc/31/98/21/136319821.db2.gz SMHZPXNJRDUEIE-NSHDSACASA-N 1 2 244.363 3.528 20 0 BHADLO Cc1cnc([C@H](C)[N@H+]2Cc3ccccc3[C@H]2C)o1 ZINC000335947542 134020536 /nfs/dbraw/zinc/02/05/36/134020536.db2.gz ZFIYJTAZSACAST-NEPJUHHUSA-N 1 2 242.322 3.621 20 0 BHADLO Cc1cnc([C@H](C)[N@@H+]2Cc3ccccc3[C@H]2C)o1 ZINC000335947542 134020535 /nfs/dbraw/zinc/02/05/35/134020535.db2.gz ZFIYJTAZSACAST-NEPJUHHUSA-N 1 2 242.322 3.621 20 0 BHADLO Cc1cnc([C@@H](C)[N@H+]2Cc3ccccc3[C@@H]2C)o1 ZINC000335947543 134020696 /nfs/dbraw/zinc/02/06/96/134020696.db2.gz ZFIYJTAZSACAST-NWDGAFQWSA-N 1 2 242.322 3.621 20 0 BHADLO Cc1cnc([C@@H](C)[N@@H+]2Cc3ccccc3[C@@H]2C)o1 ZINC000335947543 134020695 /nfs/dbraw/zinc/02/06/95/134020695.db2.gz ZFIYJTAZSACAST-NWDGAFQWSA-N 1 2 242.322 3.621 20 0 BHADLO Cc1cnc([C@H](C)[N@H+]2Cc3ccccc3[C@@H]2C)o1 ZINC000335947544 134020261 /nfs/dbraw/zinc/02/02/61/134020261.db2.gz ZFIYJTAZSACAST-RYUDHWBXSA-N 1 2 242.322 3.621 20 0 BHADLO Cc1cnc([C@H](C)[N@@H+]2Cc3ccccc3[C@@H]2C)o1 ZINC000335947544 134020260 /nfs/dbraw/zinc/02/02/60/134020260.db2.gz ZFIYJTAZSACAST-RYUDHWBXSA-N 1 2 242.322 3.621 20 0 BHADLO Cc1cnc([C@@H](C)[N@H+]2Cc3ccccc3[C@H]2C)o1 ZINC000335947545 134020614 /nfs/dbraw/zinc/02/06/14/134020614.db2.gz ZFIYJTAZSACAST-VXGBXAGGSA-N 1 2 242.322 3.621 20 0 BHADLO Cc1cnc([C@@H](C)[N@@H+]2Cc3ccccc3[C@H]2C)o1 ZINC000335947545 134020613 /nfs/dbraw/zinc/02/06/13/134020613.db2.gz ZFIYJTAZSACAST-VXGBXAGGSA-N 1 2 242.322 3.621 20 0 BHADLO Cc1nc(SCc2ccc(C)[nH+]c2C)oc1C ZINC000336081885 134075785 /nfs/dbraw/zinc/07/57/85/134075785.db2.gz WGKJUUPRLAIXAK-UHFFFAOYSA-N 1 2 248.351 3.596 20 0 BHADLO Cc1ccc(N[C@@H](C)c2ccc(Cl)cn2)c[nH+]1 ZINC000336463077 387292019 /nfs/dbraw/zinc/29/20/19/387292019.db2.gz HJAHSACAZREHHD-JTQLQIEISA-N 1 2 247.729 3.612 20 0 BHADLO Cc1ccc(N[C@H](C)c2ccc(Cl)cn2)c[nH+]1 ZINC000336463083 387293423 /nfs/dbraw/zinc/29/34/23/387293423.db2.gz HJAHSACAZREHHD-SNVBAGLBSA-N 1 2 247.729 3.612 20 0 BHADLO Cc1cc[nH+]c(N[C@@H]2CCC2(C)C)c1Cl ZINC000336661138 388100047 /nfs/dbraw/zinc/10/00/47/388100047.db2.gz BYSRHHOKHFHPKX-SECBINFHSA-N 1 2 224.735 3.644 20 0 BHADLO Cc1cc[nH+]c(N[C@H]2CCC2(C)C)c1Cl ZINC000336661157 179461163 /nfs/dbraw/zinc/46/11/63/179461163.db2.gz BYSRHHOKHFHPKX-VIFPVBQESA-N 1 2 224.735 3.644 20 0 BHADLO Cc1cc[nH+]c(NCCC2(F)CCC2)c1Cl ZINC000336661940 388259738 /nfs/dbraw/zinc/25/97/38/388259738.db2.gz CUTMYZXQIVQLEM-UHFFFAOYSA-N 1 2 242.725 3.738 20 0 BHADLO Cc1c[nH+]cc(NC2CCC3(CC3)CC2)c1 ZINC000336675682 385598240 /nfs/dbraw/zinc/59/82/40/385598240.db2.gz BOKLIQJFNYLMJI-UHFFFAOYSA-N 1 2 216.328 3.525 20 0 BHADLO Cc1sccc1CNc1ccc(C)[nH+]c1C ZINC000336679832 385625990 /nfs/dbraw/zinc/62/59/90/385625990.db2.gz XEDUGRVGACZCET-UHFFFAOYSA-N 1 2 232.352 3.680 20 0 BHADLO CSc1ccc(N[C@@H](C)[C@H]2CC2(C)C)[nH+]c1 ZINC000336707543 385794100 /nfs/dbraw/zinc/79/41/00/385794100.db2.gz QGLFFDSMFPQQOC-GXSJLCMTSA-N 1 2 236.384 3.650 20 0 BHADLO CSc1ccc(N[C@H](C)[C@@H]2CC2(C)C)[nH+]c1 ZINC000336707560 385794286 /nfs/dbraw/zinc/79/42/86/385794286.db2.gz QGLFFDSMFPQQOC-KOLCDFICSA-N 1 2 236.384 3.650 20 0 BHADLO CSc1ccc(N[C@H](C)[C@H]2CC2(C)C)[nH+]c1 ZINC000336707563 385795270 /nfs/dbraw/zinc/79/52/70/385795270.db2.gz QGLFFDSMFPQQOC-MWLCHTKSSA-N 1 2 236.384 3.650 20 0 BHADLO CSc1ccc(N[C@@H](C)[C@@H]2CC2(C)C)[nH+]c1 ZINC000336707564 385794320 /nfs/dbraw/zinc/79/43/20/385794320.db2.gz QGLFFDSMFPQQOC-ONGXEEELSA-N 1 2 236.384 3.650 20 0 BHADLO COc1cc(SC)ccc1[NH2+]CC1CCC1 ZINC000336712676 175013244 /nfs/dbraw/zinc/01/32/44/175013244.db2.gz STGNTFAQAPAULM-UHFFFAOYSA-N 1 2 237.368 3.629 20 0 BHADLO COc1cc(SC)ccc1[NH2+]CCC1CC1 ZINC000336715134 537826497 /nfs/dbraw/zinc/82/64/97/537826497.db2.gz VIFBGWCNPIBCAW-UHFFFAOYSA-N 1 2 237.368 3.629 20 0 BHADLO CSc1ccc(N[C@H]2CCC(C)(C)C2)[nH+]c1 ZINC000336719282 385859047 /nfs/dbraw/zinc/85/90/47/385859047.db2.gz YBBQDEQQYWVTKP-JTQLQIEISA-N 1 2 236.384 3.794 20 0 BHADLO CSc1ccc(N[C@@H]2CCC(C)(C)C2)[nH+]c1 ZINC000336719322 187231005 /nfs/dbraw/zinc/23/10/05/187231005.db2.gz YBBQDEQQYWVTKP-SNVBAGLBSA-N 1 2 236.384 3.794 20 0 BHADLO Cc1[nH+]cccc1NCc1sccc1Cl ZINC000336721416 180226183 /nfs/dbraw/zinc/22/61/83/180226183.db2.gz DLIZDYVBAZCPNB-UHFFFAOYSA-N 1 2 238.743 3.717 20 0 BHADLO CCC1(CNc2[nH+]ccc(C)c2Cl)CC1 ZINC000336730349 398019625 /nfs/dbraw/zinc/01/96/25/398019625.db2.gz JWEKMGRASLFMKO-UHFFFAOYSA-N 1 2 224.735 3.646 20 0 BHADLO Cc1cc([C@@H](C)[NH2+]C2(C(F)F)CC2)c(C)s1 ZINC000336741798 178221672 /nfs/dbraw/zinc/22/16/72/178221672.db2.gz NMUDKWUQHVNTOV-MRVPVSSYSA-N 1 2 245.338 3.813 20 0 BHADLO Cc1cc([C@H](C)[NH2+]C2(C(F)F)CC2)c(C)s1 ZINC000336741811 178245552 /nfs/dbraw/zinc/24/55/52/178245552.db2.gz NMUDKWUQHVNTOV-QMMMGPOBSA-N 1 2 245.338 3.813 20 0 BHADLO Cc1ccc(NCc2ccsc2Cl)c[nH+]1 ZINC000336743165 386284520 /nfs/dbraw/zinc/28/45/20/386284520.db2.gz XTIZVPRRPBVFBC-UHFFFAOYSA-N 1 2 238.743 3.717 20 0 BHADLO Cc1cc[nH+]cc1NCc1ccsc1Cl ZINC000336744340 386855120 /nfs/dbraw/zinc/85/51/20/386855120.db2.gz ZFDSRFXWHMBEBX-UHFFFAOYSA-N 1 2 238.743 3.717 20 0 BHADLO Cc1cc[nH+]c(NCC2(C(F)F)CC2)c1Cl ZINC000336748112 398197371 /nfs/dbraw/zinc/19/73/71/398197371.db2.gz XUGVDCGEBYQDMH-UHFFFAOYSA-N 1 2 246.688 3.501 20 0 BHADLO CCC[C@H]([NH2+]C1(C(F)F)CC1)c1ccsc1 ZINC000336749864 385999544 /nfs/dbraw/zinc/99/95/44/385999544.db2.gz ZFVLXEBXXKBCBK-JTQLQIEISA-N 1 2 245.338 3.977 20 0 BHADLO CCC[C@@H]([NH2+]C1(C(F)F)CC1)c1ccsc1 ZINC000336749865 385998835 /nfs/dbraw/zinc/99/88/35/385998835.db2.gz ZFVLXEBXXKBCBK-SNVBAGLBSA-N 1 2 245.338 3.977 20 0 BHADLO Cc1ccc([C@@H](C)[NH2+]C2(C(F)F)CC2)s1 ZINC000336758983 386656925 /nfs/dbraw/zinc/65/69/25/386656925.db2.gz LCEMSRUVOFRILI-MRVPVSSYSA-N 1 2 231.311 3.505 20 0 BHADLO Cc1ccc([C@H](C)[NH2+]C2(C(F)F)CC2)s1 ZINC000336758984 386654464 /nfs/dbraw/zinc/65/44/64/386654464.db2.gz LCEMSRUVOFRILI-QMMMGPOBSA-N 1 2 231.311 3.505 20 0 BHADLO CC[C@@H]([NH2+]C1(C(F)F)CC1)c1cccs1 ZINC000336767578 385921329 /nfs/dbraw/zinc/92/13/29/385921329.db2.gz SRNATNFPOODHQM-MRVPVSSYSA-N 1 2 231.311 3.587 20 0 BHADLO CC[C@H]([NH2+]C1(C(F)F)CC1)c1cccs1 ZINC000336767581 385922422 /nfs/dbraw/zinc/92/24/22/385922422.db2.gz SRNATNFPOODHQM-QMMMGPOBSA-N 1 2 231.311 3.587 20 0 BHADLO CC[C@@H]([NH2+]C1CCC2(CC2)CC1)C(F)(F)F ZINC000336780850 386507043 /nfs/dbraw/zinc/50/70/43/386507043.db2.gz SHMQAJZQUKBMQY-SNVBAGLBSA-N 1 2 235.293 3.640 20 0 BHADLO Cc1nc(N[C@@H]2CCCCC23CCCC3)cc[nH+]1 ZINC000336786421 180203530 /nfs/dbraw/zinc/20/35/30/180203530.db2.gz BUSKBCXHLUGGCS-CYBMUJFWSA-N 1 2 245.370 3.700 20 0 BHADLO Cc1nc(N[C@H]2CCCCC23CCCC3)cc[nH+]1 ZINC000336786422 180206348 /nfs/dbraw/zinc/20/63/48/180206348.db2.gz BUSKBCXHLUGGCS-ZDUSSCGKSA-N 1 2 245.370 3.700 20 0 BHADLO Cc1cc(N[C@@H]2CCCCC23CCCC3)nc[nH+]1 ZINC000336786853 187230872 /nfs/dbraw/zinc/23/08/72/187230872.db2.gz CTZLFNJRFCMVHD-CYBMUJFWSA-N 1 2 245.370 3.700 20 0 BHADLO Cc1cc(N[C@H]2CCCCC23CCCC3)nc[nH+]1 ZINC000336786854 178189258 /nfs/dbraw/zinc/18/92/58/178189258.db2.gz CTZLFNJRFCMVHD-ZDUSSCGKSA-N 1 2 245.370 3.700 20 0 BHADLO Cc1cccc(NCc2c[nH+]cn2C(C)C)c1F ZINC000336788619 179151740 /nfs/dbraw/zinc/15/17/40/179151740.db2.gz QAUQHQQVRGPAKZ-UHFFFAOYSA-N 1 2 247.317 3.524 20 0 BHADLO Cc1cc(CNc2ccc(C)[nH+]c2C)cs1 ZINC000336893095 388438413 /nfs/dbraw/zinc/43/84/13/388438413.db2.gz TUCAHCSZOHKLGP-UHFFFAOYSA-N 1 2 232.352 3.680 20 0 BHADLO CSc1ccccc1[C@@H](C)Nc1cccc[nH+]1 ZINC000336943738 175584334 /nfs/dbraw/zinc/58/43/34/175584334.db2.gz KABOAPJOPSIXAC-LLVKDONJSA-N 1 2 244.363 3.977 20 0 BHADLO CSc1ccccc1[C@H](C)Nc1cccc[nH+]1 ZINC000336943739 386559334 /nfs/dbraw/zinc/55/93/34/386559334.db2.gz KABOAPJOPSIXAC-NSHDSACASA-N 1 2 244.363 3.977 20 0 BHADLO CSc1ccc(N[C@@H]2CCC[C@@H]3C[C@@]32C)[nH+]c1 ZINC000337387287 385640876 /nfs/dbraw/zinc/64/08/76/385640876.db2.gz LVLBRYHPKGNDDO-QKCSRTOESA-N 1 2 248.395 3.794 20 0 BHADLO CSc1ccc(N[C@@H]2CCC[C@H]3C[C@]32C)[nH+]c1 ZINC000337387290 385640165 /nfs/dbraw/zinc/64/01/65/385640165.db2.gz LVLBRYHPKGNDDO-ZKYQVNSYSA-N 1 2 248.395 3.794 20 0 BHADLO Cc1ccsc1C[N@H+]1CCCC[C@H]1C(F)F ZINC000337415103 385644101 /nfs/dbraw/zinc/64/41/01/385644101.db2.gz SPZDRVRSLRLYGD-JTQLQIEISA-N 1 2 245.338 3.676 20 0 BHADLO Cc1ccsc1C[N@@H+]1CCCC[C@H]1C(F)F ZINC000337415103 385644092 /nfs/dbraw/zinc/64/40/92/385644092.db2.gz SPZDRVRSLRLYGD-JTQLQIEISA-N 1 2 245.338 3.676 20 0 BHADLO Cc1ccsc1C[N@H+]1CCCC[C@@H]1C(F)F ZINC000337415104 385646390 /nfs/dbraw/zinc/64/63/90/385646390.db2.gz SPZDRVRSLRLYGD-SNVBAGLBSA-N 1 2 245.338 3.676 20 0 BHADLO Cc1ccsc1C[N@@H+]1CCCC[C@@H]1C(F)F ZINC000337415104 385646383 /nfs/dbraw/zinc/64/63/83/385646383.db2.gz SPZDRVRSLRLYGD-SNVBAGLBSA-N 1 2 245.338 3.676 20 0 BHADLO Cc1ccc(C[N@H+]2CCCC[C@@H]2C(F)F)s1 ZINC000337423491 385656032 /nfs/dbraw/zinc/65/60/32/385656032.db2.gz XOBSIFXGEQJWKE-LLVKDONJSA-N 1 2 245.338 3.676 20 0 BHADLO Cc1ccc(C[N@@H+]2CCCC[C@@H]2C(F)F)s1 ZINC000337423491 385656027 /nfs/dbraw/zinc/65/60/27/385656027.db2.gz XOBSIFXGEQJWKE-LLVKDONJSA-N 1 2 245.338 3.676 20 0 BHADLO Cc1ccc(C[N@H+]2CCCC[C@H]2C(F)F)s1 ZINC000337423493 385655286 /nfs/dbraw/zinc/65/52/86/385655286.db2.gz XOBSIFXGEQJWKE-NSHDSACASA-N 1 2 245.338 3.676 20 0 BHADLO Cc1ccc(C[N@@H+]2CCCC[C@H]2C(F)F)s1 ZINC000337423493 385655280 /nfs/dbraw/zinc/65/52/80/385655280.db2.gz XOBSIFXGEQJWKE-NSHDSACASA-N 1 2 245.338 3.676 20 0 BHADLO CCC[C@@H]([NH2+]C1(C(F)F)CC1)c1ccccc1 ZINC000337529144 169399914 /nfs/dbraw/zinc/39/99/14/169399914.db2.gz CBRBGTIYRBGMNW-GFCCVEGCSA-N 1 2 239.309 3.915 20 0 BHADLO CCC[C@H]([NH2+]C1(C(F)F)CC1)c1ccccc1 ZINC000337529145 385697825 /nfs/dbraw/zinc/69/78/25/385697825.db2.gz CBRBGTIYRBGMNW-LBPRGKRZSA-N 1 2 239.309 3.915 20 0 BHADLO CC[C@@H]([NH2+]C1(C(F)F)CC1)c1cccc(F)c1 ZINC000337548070 385703443 /nfs/dbraw/zinc/70/34/43/385703443.db2.gz MQWXRJFMBKTLSC-LLVKDONJSA-N 1 2 243.272 3.664 20 0 BHADLO CC[C@H]([NH2+]C1(C(F)F)CC1)c1cccc(F)c1 ZINC000337548072 385703857 /nfs/dbraw/zinc/70/38/57/385703857.db2.gz MQWXRJFMBKTLSC-NSHDSACASA-N 1 2 243.272 3.664 20 0 BHADLO CC[C@@H]([NH2+]C1(C(F)F)CC1)c1ccc(C)cc1 ZINC000337560647 385710057 /nfs/dbraw/zinc/71/00/57/385710057.db2.gz VACLZEBUFCQWFN-GFCCVEGCSA-N 1 2 239.309 3.833 20 0 BHADLO CC[C@H]([NH2+]C1(C(F)F)CC1)c1ccc(C)cc1 ZINC000337560648 385710890 /nfs/dbraw/zinc/71/08/90/385710890.db2.gz VACLZEBUFCQWFN-LBPRGKRZSA-N 1 2 239.309 3.833 20 0 BHADLO CC[C@@H]([NH2+]C1(C(F)F)CC1)c1ccc(F)cc1 ZINC000337569550 385706184 /nfs/dbraw/zinc/70/61/84/385706184.db2.gz ZZYXDVYUIXWKRI-LLVKDONJSA-N 1 2 243.272 3.664 20 0 BHADLO CC[C@H]([NH2+]C1(C(F)F)CC1)c1ccc(F)cc1 ZINC000337569551 385706663 /nfs/dbraw/zinc/70/66/63/385706663.db2.gz ZZYXDVYUIXWKRI-NSHDSACASA-N 1 2 243.272 3.664 20 0 BHADLO CSc1ccc(N[C@@H]2CC[C@@H]2C2CCC2)[nH+]c1 ZINC000337985841 385867663 /nfs/dbraw/zinc/86/76/63/385867663.db2.gz DTGQCWAMCZLZIG-CHWSQXEVSA-N 1 2 248.395 3.794 20 0 BHADLO CSc1ccc(N[C@H]2CC[C@@H]2C2CCC2)[nH+]c1 ZINC000337985842 385868194 /nfs/dbraw/zinc/86/81/94/385868194.db2.gz DTGQCWAMCZLZIG-OLZOCXBDSA-N 1 2 248.395 3.794 20 0 BHADLO CSc1ccc(N[C@@H]2CC[C@H]2C2CCC2)[nH+]c1 ZINC000337985843 385868577 /nfs/dbraw/zinc/86/85/77/385868577.db2.gz DTGQCWAMCZLZIG-QWHCGFSZSA-N 1 2 248.395 3.794 20 0 BHADLO CSc1ccc(N[C@H]2CC[C@H]2C2CCC2)[nH+]c1 ZINC000337985844 385867876 /nfs/dbraw/zinc/86/78/76/385867876.db2.gz DTGQCWAMCZLZIG-STQMWFEESA-N 1 2 248.395 3.794 20 0 BHADLO Cc1ccc(N[C@@H]2CC[C@H]2C2CCC2)c(C)[nH+]1 ZINC000337999472 385873970 /nfs/dbraw/zinc/87/39/70/385873970.db2.gz UBTGKZPZMKNNCT-DZGCQCFKSA-N 1 2 230.355 3.689 20 0 BHADLO Cc1ccc(N[C@H]2CC[C@@H]2C2CCC2)c(C)[nH+]1 ZINC000337999477 385873040 /nfs/dbraw/zinc/87/30/40/385873040.db2.gz UBTGKZPZMKNNCT-HIFRSBDPSA-N 1 2 230.355 3.689 20 0 BHADLO Cc1ccc(N[C@@H]2CC[C@@H]2C2CCC2)c(C)[nH+]1 ZINC000337999479 385873887 /nfs/dbraw/zinc/87/38/87/385873887.db2.gz UBTGKZPZMKNNCT-UKRRQHHQSA-N 1 2 230.355 3.689 20 0 BHADLO Cc1ccc(N[C@H]2CC[C@H]2C2CCC2)c(C)[nH+]1 ZINC000337999481 385873866 /nfs/dbraw/zinc/87/38/66/385873866.db2.gz UBTGKZPZMKNNCT-ZFWWWQNUSA-N 1 2 230.355 3.689 20 0 BHADLO CCC(CC)C[NH2+]c1ccc(-n2ccnc2)cc1 ZINC000338136761 168364474 /nfs/dbraw/zinc/36/44/74/168364474.db2.gz CKFBAZHTBJMJST-UHFFFAOYSA-N 1 2 243.354 3.720 20 0 BHADLO CCC[N@H+](Cc1cc(C)sc1C)CC(F)F ZINC000338253561 169173199 /nfs/dbraw/zinc/17/31/99/169173199.db2.gz CPXIITDCMVWZRD-UHFFFAOYSA-N 1 2 247.354 3.842 20 0 BHADLO CCC[N@@H+](Cc1cc(C)sc1C)CC(F)F ZINC000338253561 169173197 /nfs/dbraw/zinc/17/31/97/169173197.db2.gz CPXIITDCMVWZRD-UHFFFAOYSA-N 1 2 247.354 3.842 20 0 BHADLO CC1(C)SC[C@H]1Nc1ccc2ccccc2[nH+]1 ZINC000338423946 187242653 /nfs/dbraw/zinc/24/26/53/187242653.db2.gz USSREXKFPVGZNZ-GFCCVEGCSA-N 1 2 244.363 3.541 20 0 BHADLO CC1(C)SC[C@@H]1Nc1ccc2ccccc2[nH+]1 ZINC000338423947 384869477 /nfs/dbraw/zinc/86/94/77/384869477.db2.gz USSREXKFPVGZNZ-LBPRGKRZSA-N 1 2 244.363 3.541 20 0 BHADLO CC(C)CCCNc1ccc(N2CCCC2)[nH+]c1 ZINC000338433753 384868058 /nfs/dbraw/zinc/86/80/58/384868058.db2.gz AGTAKMPMGLYPKN-UHFFFAOYSA-N 1 2 247.386 3.530 20 0 BHADLO CC(C)CCCNc1cccc(-n2cc[nH+]c2)c1 ZINC000338437263 388474693 /nfs/dbraw/zinc/47/46/93/388474693.db2.gz HWEXUJAVJUHJNV-UHFFFAOYSA-N 1 2 243.354 3.720 20 0 BHADLO C[N@@H+](Cc1ccoc1)Cc1sccc1Cl ZINC000338548905 386043167 /nfs/dbraw/zinc/04/31/67/386043167.db2.gz ZVCKIESDXNQKTA-UHFFFAOYSA-N 1 2 241.743 3.627 20 0 BHADLO C[N@H+](Cc1ccoc1)Cc1sccc1Cl ZINC000338548905 386043162 /nfs/dbraw/zinc/04/31/62/386043162.db2.gz ZVCKIESDXNQKTA-UHFFFAOYSA-N 1 2 241.743 3.627 20 0 BHADLO C[C@]1(CNc2cccc[nH+]2)C[C@@H]1c1ccccc1 ZINC000338745191 386125811 /nfs/dbraw/zinc/12/58/11/386125811.db2.gz WAHHSIPARRNLGZ-GDBMZVCRSA-N 1 2 238.334 3.687 20 0 BHADLO C[C@]1(CNc2cccc[nH+]2)C[C@H]1c1ccccc1 ZINC000338745192 386124666 /nfs/dbraw/zinc/12/46/66/386124666.db2.gz WAHHSIPARRNLGZ-GOEBONIOSA-N 1 2 238.334 3.687 20 0 BHADLO C[C@@]1(CNc2cccc[nH+]2)C[C@H]1c1ccccc1 ZINC000338745193 386125879 /nfs/dbraw/zinc/12/58/79/386125879.db2.gz WAHHSIPARRNLGZ-HOCLYGCPSA-N 1 2 238.334 3.687 20 0 BHADLO C[C@@]1(CNc2cccc[nH+]2)C[C@@H]1c1ccccc1 ZINC000338745194 386125825 /nfs/dbraw/zinc/12/58/25/386125825.db2.gz WAHHSIPARRNLGZ-ZBFHGGJFSA-N 1 2 238.334 3.687 20 0 BHADLO F[C@H]1CCC[C@@H]1Nc1ccc2ccccc2[nH+]1 ZINC000338837918 386156285 /nfs/dbraw/zinc/15/62/85/386156285.db2.gz XWTMEAPAIHLIKD-AAEUAGOBSA-N 1 2 230.286 3.537 20 0 BHADLO F[C@@H]1CCC[C@H]1Nc1ccc2ccccc2[nH+]1 ZINC000338837919 386156519 /nfs/dbraw/zinc/15/65/19/386156519.db2.gz XWTMEAPAIHLIKD-DGCLKSJQSA-N 1 2 230.286 3.537 20 0 BHADLO F[C@H]1CCC[C@H]1Nc1ccc2ccccc2[nH+]1 ZINC000338837920 386155835 /nfs/dbraw/zinc/15/58/35/386155835.db2.gz XWTMEAPAIHLIKD-WCQYABFASA-N 1 2 230.286 3.537 20 0 BHADLO F[C@@H]1CCC[C@@H]1Nc1ccc2ccccc2[nH+]1 ZINC000338837921 386155938 /nfs/dbraw/zinc/15/59/38/386155938.db2.gz XWTMEAPAIHLIKD-YPMHNXCESA-N 1 2 230.286 3.537 20 0 BHADLO C[C@@H](Nc1cccc[nH+]1)c1c(F)cccc1F ZINC000339031346 386218048 /nfs/dbraw/zinc/21/80/48/386218048.db2.gz GMPARHNZPIZKMA-SECBINFHSA-N 1 2 234.249 3.533 20 0 BHADLO C[C@H](Nc1cccc[nH+]1)c1c(F)cccc1F ZINC000339031347 386216756 /nfs/dbraw/zinc/21/67/56/386216756.db2.gz GMPARHNZPIZKMA-VIFPVBQESA-N 1 2 234.249 3.533 20 0 BHADLO Cc1nc(C(C)C)ccc1C[N@H+]1CCC=C(F)C1 ZINC000339061580 386229540 /nfs/dbraw/zinc/22/95/40/386229540.db2.gz JAJQHZXUJGPXPZ-UHFFFAOYSA-N 1 2 248.345 3.573 20 0 BHADLO Cc1nc(C(C)C)ccc1C[N@@H+]1CCC=C(F)C1 ZINC000339061580 386229530 /nfs/dbraw/zinc/22/95/30/386229530.db2.gz JAJQHZXUJGPXPZ-UHFFFAOYSA-N 1 2 248.345 3.573 20 0 BHADLO Cc1cc(N2CCC(C)(C)CC2)nc(C(C)C)[nH+]1 ZINC000339135136 386266790 /nfs/dbraw/zinc/26/67/90/386266790.db2.gz HFANITBNTQBXLJ-UHFFFAOYSA-N 1 2 247.386 3.535 20 0 BHADLO Cc1cc(Cl)cc(CNc2cccc[nH+]2)c1 ZINC000339189917 187232337 /nfs/dbraw/zinc/23/23/37/187232337.db2.gz SYBVYZSEKMORQC-UHFFFAOYSA-N 1 2 232.714 3.656 20 0 BHADLO c1ccc(NCc2ccc(C3CCC3)cc2)[nH+]c1 ZINC000339190042 490257149 /nfs/dbraw/zinc/25/71/49/490257149.db2.gz WRJFIYUWKYXKNF-UHFFFAOYSA-N 1 2 238.334 3.961 20 0 BHADLO Cc1cc(Cl)cc(CNc2ccc(C)[nH+]c2)c1 ZINC000339302503 388481241 /nfs/dbraw/zinc/48/12/41/388481241.db2.gz HKQJRRCEOBBJQS-UHFFFAOYSA-N 1 2 246.741 3.964 20 0 BHADLO Cc1cc(Cl)cc(CNc2ccc[nH+]c2C)c1 ZINC000339313070 388482338 /nfs/dbraw/zinc/48/23/38/388482338.db2.gz DJXHXJLZFXBQHQ-UHFFFAOYSA-N 1 2 246.741 3.964 20 0 BHADLO COc1cc(C)[nH+]c(CSC2CCCC2)c1 ZINC000339746199 386581215 /nfs/dbraw/zinc/58/12/15/386581215.db2.gz SLOXKVJCHFCXGH-UHFFFAOYSA-N 1 2 237.368 3.574 20 0 BHADLO Fc1ccc2cc[nH+]c(NCc3ccco3)c2c1 ZINC000340199768 385904459 /nfs/dbraw/zinc/90/44/59/385904459.db2.gz UHACTFUIINKPQJ-UHFFFAOYSA-N 1 2 242.253 3.579 20 0 BHADLO CCCCN(C)c1[nH+]ccc2ccc(F)cc21 ZINC000340200242 385906497 /nfs/dbraw/zinc/90/64/97/385906497.db2.gz IHFKAAZRODUTAF-UHFFFAOYSA-N 1 2 232.302 3.610 20 0 BHADLO CC1CCN(c2[nH+]ccc3ccc(F)cc32)CC1 ZINC000340201875 132213812 /nfs/dbraw/zinc/21/38/12/132213812.db2.gz BPILQAIIPSRAQM-UHFFFAOYSA-N 1 2 244.313 3.610 20 0 BHADLO Fc1ccc2cc[nH+]c(N3CCCCCC3)c2c1 ZINC000340202747 385910167 /nfs/dbraw/zinc/91/01/67/385910167.db2.gz NCDOKQFBJGYGDR-UHFFFAOYSA-N 1 2 244.313 3.754 20 0 BHADLO CCC(CC)Nc1[nH+]ccc2ccc(F)cc21 ZINC000340202806 168395384 /nfs/dbraw/zinc/39/53/84/168395384.db2.gz XCKVEHXZEGRBNQ-UHFFFAOYSA-N 1 2 232.302 3.974 20 0 BHADLO Fc1ccc2cc[nH+]c(NC3CCCC3)c2c1 ZINC000340205882 385923964 /nfs/dbraw/zinc/92/39/64/385923964.db2.gz LOLPSOOHJMQSFC-UHFFFAOYSA-N 1 2 230.286 3.728 20 0 BHADLO C[C@@H]1CCCN(c2[nH+]ccc3ccc(F)cc32)C1 ZINC000340206673 132213864 /nfs/dbraw/zinc/21/38/64/132213864.db2.gz SZTMZBCQKAKQFN-LLVKDONJSA-N 1 2 244.313 3.610 20 0 BHADLO C[C@H]1CCCN(c2[nH+]ccc3ccc(F)cc32)C1 ZINC000340206674 132213727 /nfs/dbraw/zinc/21/37/27/132213727.db2.gz SZTMZBCQKAKQFN-NSHDSACASA-N 1 2 244.313 3.610 20 0 BHADLO CSc1ccc(C[N@H+]2CCC=C(F)C2)s1 ZINC000340561118 386228479 /nfs/dbraw/zinc/22/84/79/386228479.db2.gz NNQYHACBLDHZRY-UHFFFAOYSA-N 1 2 243.372 3.529 20 0 BHADLO CSc1ccc(C[N@@H+]2CCC=C(F)C2)s1 ZINC000340561118 386228475 /nfs/dbraw/zinc/22/84/75/386228475.db2.gz NNQYHACBLDHZRY-UHFFFAOYSA-N 1 2 243.372 3.529 20 0 BHADLO CC[C@@H](C)C[NH2+]c1ccc(-n2ccc(C)n2)cc1 ZINC000340618239 386414958 /nfs/dbraw/zinc/41/49/58/386414958.db2.gz LJPYIYAMWXOZPJ-GFCCVEGCSA-N 1 2 243.354 3.639 20 0 BHADLO CC[C@H](C)C[NH2+]c1ccc(-n2ccc(C)n2)cc1 ZINC000340618281 171287660 /nfs/dbraw/zinc/28/76/60/171287660.db2.gz LJPYIYAMWXOZPJ-LBPRGKRZSA-N 1 2 243.354 3.639 20 0 BHADLO Cc1ccn(-c2ccc([NH2+]CCC(C)C)cc2)n1 ZINC000340624168 179398896 /nfs/dbraw/zinc/39/88/96/179398896.db2.gz VMCQCVXTPHNJOG-UHFFFAOYSA-N 1 2 243.354 3.639 20 0 BHADLO FCCCCCSc1[nH+]cc2ccccn21 ZINC000340665231 386615555 /nfs/dbraw/zinc/61/55/55/386615555.db2.gz MUFNCUPYRIUDMT-UHFFFAOYSA-N 1 2 238.331 3.566 20 0 BHADLO CC[C@H](C)CCC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000340783267 171268253 /nfs/dbraw/zinc/26/82/53/171268253.db2.gz XWMWMCPMRQNPJO-JTQLQIEISA-N 1 2 248.370 3.772 20 0 BHADLO CC[C@@H](C)CCC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000340783268 386775491 /nfs/dbraw/zinc/77/54/91/386775491.db2.gz XWMWMCPMRQNPJO-SNVBAGLBSA-N 1 2 248.370 3.772 20 0 BHADLO Fc1ccc2cc[nH+]c(N[C@@H]3CC[C@H](F)C3)c2c1 ZINC000340923876 386799715 /nfs/dbraw/zinc/79/97/15/386799715.db2.gz XRCSQCXRZGDRGZ-CMPLNLGQSA-N 1 2 248.276 3.676 20 0 BHADLO Fc1ccc2cc[nH+]c(N[C@H]3CC[C@H](F)C3)c2c1 ZINC000340923889 386798041 /nfs/dbraw/zinc/79/80/41/386798041.db2.gz XRCSQCXRZGDRGZ-JQWIXIFHSA-N 1 2 248.276 3.676 20 0 BHADLO Fc1ccc2cc[nH+]c(N[C@H]3CC[C@@H](F)C3)c2c1 ZINC000340923892 386798963 /nfs/dbraw/zinc/79/89/63/386798963.db2.gz XRCSQCXRZGDRGZ-PWSUYJOCSA-N 1 2 248.276 3.676 20 0 BHADLO Fc1ccc2cc[nH+]c(N[C@@H]3CC[C@@H](F)C3)c2c1 ZINC000340923893 386798267 /nfs/dbraw/zinc/79/82/67/386798267.db2.gz XRCSQCXRZGDRGZ-ZYHUDNBSSA-N 1 2 248.276 3.676 20 0 BHADLO CCC(CC)N(CC)c1cc(C)[nH+]c(C2CC2)n1 ZINC000341038682 168373071 /nfs/dbraw/zinc/37/30/71/168373071.db2.gz MJNXWTOVSDOUEY-UHFFFAOYSA-N 1 2 247.386 3.677 20 0 BHADLO Cc1ccn(-c2ccc([NH2+]CC(C)(C)C)cc2)n1 ZINC000341213466 179399660 /nfs/dbraw/zinc/39/96/60/179399660.db2.gz NGGSKNBUVJCERY-UHFFFAOYSA-N 1 2 243.354 3.639 20 0 BHADLO CSc1ccc([C@@H](C)Nc2cccc[nH+]2)cc1 ZINC000341276848 188398491 /nfs/dbraw/zinc/39/84/91/188398491.db2.gz QVFRKMVFAJKHQO-LLVKDONJSA-N 1 2 244.363 3.977 20 0 BHADLO CSc1ccc([C@H](C)Nc2cccc[nH+]2)cc1 ZINC000341276849 386874925 /nfs/dbraw/zinc/87/49/25/386874925.db2.gz QVFRKMVFAJKHQO-NSHDSACASA-N 1 2 244.363 3.977 20 0 BHADLO Cc1cc(Nc2ccc(F)cc2)nc(C2CC2)[nH+]1 ZINC000341465825 178191754 /nfs/dbraw/zinc/19/17/54/178191754.db2.gz AWWKKFHOERFBHM-UHFFFAOYSA-N 1 2 243.285 3.545 20 0 BHADLO Cc1cc(N2CCC[C@@H]2C(C)C)nc(C(C)C)[nH+]1 ZINC000341483917 178115295 /nfs/dbraw/zinc/11/52/95/178115295.db2.gz KAAAWXHXAAXQIQ-CYBMUJFWSA-N 1 2 247.386 3.533 20 0 BHADLO Cc1cc(N2CCC[C@H]2C(C)C)nc(C(C)C)[nH+]1 ZINC000341483919 178116115 /nfs/dbraw/zinc/11/61/15/178116115.db2.gz KAAAWXHXAAXQIQ-ZDUSSCGKSA-N 1 2 247.386 3.533 20 0 BHADLO CC(C)[C@@H](C)N(C)c1cc(C(F)(F)F)cc[nH+]1 ZINC000341542939 167371757 /nfs/dbraw/zinc/37/17/57/167371757.db2.gz FYEKBMPVFDJTOF-SECBINFHSA-N 1 2 246.276 3.581 20 0 BHADLO CC(C)[C@H](C)N(C)c1cc(C(F)(F)F)cc[nH+]1 ZINC000341542948 386922337 /nfs/dbraw/zinc/92/23/37/386922337.db2.gz FYEKBMPVFDJTOF-VIFPVBQESA-N 1 2 246.276 3.581 20 0 BHADLO FC(F)C[N@H+](Cc1ccccc1)CC1CCC1 ZINC000341750077 386959490 /nfs/dbraw/zinc/95/94/90/386959490.db2.gz JZSLKNVDJBHZKX-UHFFFAOYSA-N 1 2 239.309 3.554 20 0 BHADLO FC(F)C[N@@H+](Cc1ccccc1)CC1CCC1 ZINC000341750077 386959486 /nfs/dbraw/zinc/95/94/86/386959486.db2.gz JZSLKNVDJBHZKX-UHFFFAOYSA-N 1 2 239.309 3.554 20 0 BHADLO CCC(CC)[C@@H](C)C(=O)Nc1ccc(C)[nH+]c1C ZINC000341802160 168399506 /nfs/dbraw/zinc/39/95/06/168399506.db2.gz ZUROTVXNJYMGDT-LLVKDONJSA-N 1 2 248.370 3.709 20 0 BHADLO CCC(CC)[C@H](C)C(=O)Nc1ccc(C)[nH+]c1C ZINC000341802161 386965262 /nfs/dbraw/zinc/96/52/62/386965262.db2.gz ZUROTVXNJYMGDT-NSHDSACASA-N 1 2 248.370 3.709 20 0 BHADLO CC(C)CSCCc1[nH+]c2ccccc2n1C ZINC000341904537 386988544 /nfs/dbraw/zinc/98/85/44/386988544.db2.gz UHTMWYWEGBEWCA-UHFFFAOYSA-N 1 2 248.395 3.505 20 0 BHADLO COc1cc[nH+]cc1CSCCC(C)(C)C ZINC000341993693 175373237 /nfs/dbraw/zinc/37/32/37/175373237.db2.gz HOJXUBKQHATVHF-UHFFFAOYSA-N 1 2 239.384 3.760 20 0 BHADLO CC(C)=CCSCc1ccc(C)[nH+]c1C ZINC000342006189 188399113 /nfs/dbraw/zinc/39/91/13/188399113.db2.gz UULKEKNYFIDETI-UHFFFAOYSA-N 1 2 221.369 3.898 20 0 BHADLO Cc1ccc(CSCc2cccnc2)c(C)[nH+]1 ZINC000342010307 398187310 /nfs/dbraw/zinc/18/73/10/398187310.db2.gz ZPSRDXIZELFPHK-UHFFFAOYSA-N 1 2 244.363 3.527 20 0 BHADLO COc1cc[nH+]cc1CSCC1CCCC1 ZINC000342019034 175373642 /nfs/dbraw/zinc/37/36/42/175373642.db2.gz LDEOQDRUTKCFGQ-UHFFFAOYSA-N 1 2 237.368 3.514 20 0 BHADLO CC/C=C\CCSCc1c[nH+]ccc1OC ZINC000342019444 385909886 /nfs/dbraw/zinc/90/98/86/385909886.db2.gz JZXMRUCYWBFRDB-PLNGDYQASA-N 1 2 237.368 3.680 20 0 BHADLO CC/C=C/CCSCc1c[nH+]ccc1OC ZINC000342019445 385911397 /nfs/dbraw/zinc/91/13/97/385911397.db2.gz JZXMRUCYWBFRDB-SNAWJCMRSA-N 1 2 237.368 3.680 20 0 BHADLO C/C=C/c1ccc(NCc2[nH+]ccn2CC)cc1 ZINC000342313239 533456461 /nfs/dbraw/zinc/45/64/61/533456461.db2.gz YYOCKUILLLZTIN-HWKANZROSA-N 1 2 241.338 3.548 20 0 BHADLO C/C=C\c1ccc(NCc2[nH+]ccn2CC)cc1 ZINC000342313242 135263693 /nfs/dbraw/zinc/26/36/93/135263693.db2.gz YYOCKUILLLZTIN-HYXAFXHYSA-N 1 2 241.338 3.548 20 0 BHADLO CC[C@H](SCc1c[nH+]cn1C)c1ccccc1 ZINC000342391759 135270202 /nfs/dbraw/zinc/27/02/02/135270202.db2.gz YNQHPQKPXDYNPX-AWEZNQCLSA-N 1 2 246.379 3.805 20 0 BHADLO CC[C@@H](SCc1c[nH+]cn1C)c1ccccc1 ZINC000342391762 135269834 /nfs/dbraw/zinc/26/98/34/135269834.db2.gz YNQHPQKPXDYNPX-CQSZACIVSA-N 1 2 246.379 3.805 20 0 BHADLO CCC(C)(C)CC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000342449933 135275459 /nfs/dbraw/zinc/27/54/59/135275459.db2.gz SGFRFIHQHMSGMX-UHFFFAOYSA-N 1 2 248.370 3.772 20 0 BHADLO CSc1ccc(F)cc1CNc1cccc[nH+]1 ZINC000342460326 135276725 /nfs/dbraw/zinc/27/67/25/135276725.db2.gz FDDVMQXBEXLZMP-UHFFFAOYSA-N 1 2 248.326 3.555 20 0 BHADLO CC/C=C\CC[NH2+]c1ccc(-n2cccn2)cc1 ZINC000342677348 135303558 /nfs/dbraw/zinc/30/35/58/135303558.db2.gz SYIHZXPFSSULHS-ARJAWSKDSA-N 1 2 241.338 3.641 20 0 BHADLO CC/C=C/CC[NH2+]c1ccc(-n2cccn2)cc1 ZINC000342677349 535233751 /nfs/dbraw/zinc/23/37/51/535233751.db2.gz SYIHZXPFSSULHS-ONEGZZNKSA-N 1 2 241.338 3.641 20 0 BHADLO Cc1[nH]c2cc(CSCC(C)C)ccc2[nH+]1 ZINC000342685332 135305879 /nfs/dbraw/zinc/30/58/79/135305879.db2.gz HJKNALGIUCWKRO-UHFFFAOYSA-N 1 2 234.368 3.761 20 0 BHADLO Cc1[nH]c2ccc(CSCC(C)C)cc2[nH+]1 ZINC000342685332 135305877 /nfs/dbraw/zinc/30/58/77/135305877.db2.gz HJKNALGIUCWKRO-UHFFFAOYSA-N 1 2 234.368 3.761 20 0 BHADLO CC1(CCNc2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000343093334 352960240 /nfs/dbraw/zinc/96/02/40/352960240.db2.gz HYZMQJHFOHXCRH-UHFFFAOYSA-N 1 2 244.260 3.703 20 0 BHADLO CSc1cccc(F)c1CNc1cccc[nH+]1 ZINC000343246649 135465547 /nfs/dbraw/zinc/46/55/47/135465547.db2.gz IGZQVRRAINKTCN-UHFFFAOYSA-N 1 2 248.326 3.555 20 0 BHADLO C[N@@H+](CC(F)F)[C@@H]1CCc2ccc(Cl)cc21 ZINC000343518267 136230989 /nfs/dbraw/zinc/23/09/89/136230989.db2.gz AXJBODXNMSKIFV-LLVKDONJSA-N 1 2 245.700 3.524 20 0 BHADLO C[N@H+](CC(F)F)[C@@H]1CCc2ccc(Cl)cc21 ZINC000343518267 136230988 /nfs/dbraw/zinc/23/09/88/136230988.db2.gz AXJBODXNMSKIFV-LLVKDONJSA-N 1 2 245.700 3.524 20 0 BHADLO C[N@@H+](CC(F)F)[C@H]1CCc2ccc(Cl)cc21 ZINC000343518279 136230647 /nfs/dbraw/zinc/23/06/47/136230647.db2.gz AXJBODXNMSKIFV-NSHDSACASA-N 1 2 245.700 3.524 20 0 BHADLO C[N@H+](CC(F)F)[C@H]1CCc2ccc(Cl)cc21 ZINC000343518279 136230646 /nfs/dbraw/zinc/23/06/46/136230646.db2.gz AXJBODXNMSKIFV-NSHDSACASA-N 1 2 245.700 3.524 20 0 BHADLO CC[C@@]1(C)CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC000343588357 353940998 /nfs/dbraw/zinc/94/09/98/353940998.db2.gz DTTFVQWHBYCKRK-HNNXBMFYSA-N 1 2 247.386 3.535 20 0 BHADLO CC[C@]1(C)CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC000343588358 353940991 /nfs/dbraw/zinc/94/09/91/353940991.db2.gz DTTFVQWHBYCKRK-OAHLLOKOSA-N 1 2 247.386 3.535 20 0 BHADLO CC[C@@H]1CCCN(c2cc[nH+]c(C(C)C)n2)CC1 ZINC000343761739 353977014 /nfs/dbraw/zinc/97/70/14/353977014.db2.gz TVYRLAUFHNZNPH-CYBMUJFWSA-N 1 2 247.386 3.617 20 0 BHADLO CC[C@H]1CCCN(c2cc[nH+]c(C(C)C)n2)CC1 ZINC000343761741 353977081 /nfs/dbraw/zinc/97/70/81/353977081.db2.gz TVYRLAUFHNZNPH-ZDUSSCGKSA-N 1 2 247.386 3.617 20 0 BHADLO C[C@@H]1CC[C@H]1Nc1[nH+]ccc2ccc(F)cc21 ZINC000343801863 354005840 /nfs/dbraw/zinc/00/58/40/354005840.db2.gz DQIXZDLAZDMXHC-NOZJJQNGSA-N 1 2 230.286 3.584 20 0 BHADLO C[C@@H]1CC[C@@H]1Nc1[nH+]ccc2ccc(F)cc21 ZINC000343801866 354006080 /nfs/dbraw/zinc/00/60/80/354006080.db2.gz DQIXZDLAZDMXHC-RNCFNFMXSA-N 1 2 230.286 3.584 20 0 BHADLO C[C@H]1CC[C@H]1Nc1[nH+]ccc2ccc(F)cc21 ZINC000343801868 354006158 /nfs/dbraw/zinc/00/61/58/354006158.db2.gz DQIXZDLAZDMXHC-TVQRCGJNSA-N 1 2 230.286 3.584 20 0 BHADLO C[C@H]1CC[C@@H]1Nc1[nH+]ccc2ccc(F)cc21 ZINC000343801870 354005794 /nfs/dbraw/zinc/00/57/94/354005794.db2.gz DQIXZDLAZDMXHC-ZANVPECISA-N 1 2 230.286 3.584 20 0 BHADLO CC1(C)CC[C@H]1Nc1[nH+]ccc2ccc(F)cc21 ZINC000343815279 354013042 /nfs/dbraw/zinc/01/30/42/354013042.db2.gz YQDHWZJAGSARLQ-CYBMUJFWSA-N 1 2 244.313 3.974 20 0 BHADLO CC1(C)CC[C@@H]1Nc1[nH+]ccc2ccc(F)cc21 ZINC000343815280 354013115 /nfs/dbraw/zinc/01/31/15/354013115.db2.gz YQDHWZJAGSARLQ-ZDUSSCGKSA-N 1 2 244.313 3.974 20 0 BHADLO CCC(CC)SCc1c[nH+]ccc1OC ZINC000343828416 354016774 /nfs/dbraw/zinc/01/67/74/354016774.db2.gz FVAPFIFSLGDZMK-UHFFFAOYSA-N 1 2 225.357 3.512 20 0 BHADLO COc1cc[nH+]cc1CSc1ccc(F)cc1 ZINC000343830204 354032985 /nfs/dbraw/zinc/03/29/85/354032985.db2.gz AAEYUVZIKWKTTI-UHFFFAOYSA-N 1 2 249.310 3.522 20 0 BHADLO COc1cc[nH+]cc1CSc1ccccc1F ZINC000343830825 354033031 /nfs/dbraw/zinc/03/30/31/354033031.db2.gz LEQQIUOTNSXZLS-UHFFFAOYSA-N 1 2 249.310 3.522 20 0 BHADLO COc1cc[nH+]cc1CSc1ccccc1C ZINC000343835496 354034659 /nfs/dbraw/zinc/03/46/59/354034659.db2.gz RQHMYMZPCTYLMF-UHFFFAOYSA-N 1 2 245.347 3.691 20 0 BHADLO COc1cc[nH+]cc1CSc1ccc(C)cc1 ZINC000343836374 354035159 /nfs/dbraw/zinc/03/51/59/354035159.db2.gz VGLVGJFGZHWNOL-UHFFFAOYSA-N 1 2 245.347 3.691 20 0 BHADLO COc1cc[nH+]cc1CSCc1ccccc1 ZINC000343839757 354035786 /nfs/dbraw/zinc/03/57/86/354035786.db2.gz LZOLXCPTHGDKIO-UHFFFAOYSA-N 1 2 245.347 3.524 20 0 BHADLO COc1cc[nH+]cc1CSc1cccc(C)c1 ZINC000343843669 354020012 /nfs/dbraw/zinc/02/00/12/354020012.db2.gz RXOCJMRBRXNUEK-UHFFFAOYSA-N 1 2 245.347 3.691 20 0 BHADLO COc1cc[nH+]cc1CSC1CCCCC1 ZINC000343846653 354021068 /nfs/dbraw/zinc/02/10/68/354021068.db2.gz WDIFCCVAWIQWNV-UHFFFAOYSA-N 1 2 237.368 3.656 20 0 BHADLO CSCc1ccc(CNc2cccc[nH+]2)cc1 ZINC000343980876 354058132 /nfs/dbraw/zinc/05/81/32/354058132.db2.gz UQNOXRRYPRHLGF-UHFFFAOYSA-N 1 2 244.363 3.557 20 0 BHADLO C[C@@H]1C[C@@H]([NH2+]C2(C(F)F)CC2)c2ccccc21 ZINC000344001084 354066957 /nfs/dbraw/zinc/06/69/57/354066957.db2.gz WJAWAOQLMQIBSC-BXKDBHETSA-N 1 2 237.293 3.622 20 0 BHADLO C[C@H]1C[C@H]([NH2+]C2(C(F)F)CC2)c2ccccc21 ZINC000344001085 354067135 /nfs/dbraw/zinc/06/71/35/354067135.db2.gz WJAWAOQLMQIBSC-CABZTGNLSA-N 1 2 237.293 3.622 20 0 BHADLO C[C@H]1C[C@@H]([NH2+]C2(C(F)F)CC2)c2ccccc21 ZINC000344001086 354066934 /nfs/dbraw/zinc/06/69/34/354066934.db2.gz WJAWAOQLMQIBSC-JOYOIKCWSA-N 1 2 237.293 3.622 20 0 BHADLO C[C@@H]1C[C@H]([NH2+]C2(C(F)F)CC2)c2ccccc21 ZINC000344001087 354067007 /nfs/dbraw/zinc/06/70/07/354067007.db2.gz WJAWAOQLMQIBSC-SKDRFNHKSA-N 1 2 237.293 3.622 20 0 BHADLO COc1cc[nH+]cc1CSc1cccc(F)c1 ZINC000344076406 354133511 /nfs/dbraw/zinc/13/35/11/354133511.db2.gz ONGGEQLZFSBUCX-UHFFFAOYSA-N 1 2 249.310 3.522 20 0 BHADLO CCCCCSCc1c[nH+]ccc1OC ZINC000344076774 354133967 /nfs/dbraw/zinc/13/39/67/354133967.db2.gz PGNZQKBCOSXXPL-UHFFFAOYSA-N 1 2 225.357 3.514 20 0 BHADLO COc1cc[nH+]cc1CSCCCC(C)C ZINC000344118132 354142390 /nfs/dbraw/zinc/14/23/90/354142390.db2.gz YPDVRXVSCXKQEH-UHFFFAOYSA-N 1 2 239.384 3.760 20 0 BHADLO Cc1ccc(COc2cc(F)ccc2C)c(C)[nH+]1 ZINC000344413122 354252595 /nfs/dbraw/zinc/25/25/95/354252595.db2.gz GTYACEGWNKKAMO-UHFFFAOYSA-N 1 2 245.297 3.725 20 0 BHADLO CC1(C)CCC(SCCn2cc[nH+]c2)CC1 ZINC000344472356 354268099 /nfs/dbraw/zinc/26/80/99/354268099.db2.gz BMHRZUXEMVKYRA-UHFFFAOYSA-N 1 2 238.400 3.585 20 0 BHADLO Cn1c[nH+]cc1CSC1CCC(C)(C)CC1 ZINC000344494303 354288149 /nfs/dbraw/zinc/28/81/49/354288149.db2.gz GXATWVUGIWEVTH-UHFFFAOYSA-N 1 2 238.400 3.622 20 0 BHADLO Cn1cc[nH+]c1CSC1CCC(C)(C)CC1 ZINC000344507223 135778700 /nfs/dbraw/zinc/77/87/00/135778700.db2.gz BZJCGJOCPIGQGR-UHFFFAOYSA-N 1 2 238.400 3.622 20 0 BHADLO CCC[C@@H](CC)SCc1c[nH+]ccc1OC ZINC000344576859 354309459 /nfs/dbraw/zinc/30/94/59/354309459.db2.gz CZOMMLDSLYCFOH-GFCCVEGCSA-N 1 2 239.384 3.902 20 0 BHADLO CCC[C@H](CC)SCc1c[nH+]ccc1OC ZINC000344576860 354309426 /nfs/dbraw/zinc/30/94/26/354309426.db2.gz CZOMMLDSLYCFOH-LBPRGKRZSA-N 1 2 239.384 3.902 20 0 BHADLO Cc1ccc(CSc2ncccc2C)c(C)[nH+]1 ZINC000344588744 354320588 /nfs/dbraw/zinc/32/05/88/354320588.db2.gz UAZWXVOBDWDGET-UHFFFAOYSA-N 1 2 244.363 3.694 20 0 BHADLO CCCC1(C(=O)Nc2ccc(C)[nH+]c2C)CCC1 ZINC000345319354 354609964 /nfs/dbraw/zinc/60/99/64/354609964.db2.gz MXVWNGRYJRTRBM-UHFFFAOYSA-N 1 2 246.354 3.607 20 0 BHADLO c1cn2c([nH+]1)[C@@H](Nc1cccc3ccccc31)CC2 ZINC000345348389 388512725 /nfs/dbraw/zinc/51/27/25/388512725.db2.gz LWQKGBWRWPKGKL-HNNXBMFYSA-N 1 2 249.317 3.593 20 0 BHADLO c1cn2c([nH+]1)[C@H](Nc1cccc3ccccc31)CC2 ZINC000345348390 388512602 /nfs/dbraw/zinc/51/26/02/388512602.db2.gz LWQKGBWRWPKGKL-OAHLLOKOSA-N 1 2 249.317 3.593 20 0 BHADLO CC/C=C\CCn1c[nH+]c2cc(F)c(F)cc21 ZINC000346169205 365962263 /nfs/dbraw/zinc/96/22/63/365962263.db2.gz AGFCZTWDPXDINX-ARJAWSKDSA-N 1 2 236.265 3.671 20 0 BHADLO Cc1cc(Cl)ccc1C[N@H+]1CCC=C(F)C1 ZINC000346175781 178066397 /nfs/dbraw/zinc/06/63/97/178066397.db2.gz CSYWCWDKJWUDEF-UHFFFAOYSA-N 1 2 239.721 3.708 20 0 BHADLO Cc1cc(Cl)ccc1C[N@@H+]1CCC=C(F)C1 ZINC000346175781 178066396 /nfs/dbraw/zinc/06/63/96/178066396.db2.gz CSYWCWDKJWUDEF-UHFFFAOYSA-N 1 2 239.721 3.708 20 0 BHADLO CC/C=C\CCOc1cccc(-n2cc[nH+]c2)c1 ZINC000346211659 386187960 /nfs/dbraw/zinc/18/79/60/386187960.db2.gz IGRUWUYYLPOQQO-ARJAWSKDSA-N 1 2 242.322 3.607 20 0 BHADLO CC/C=C/CCOc1cccc(-n2cc[nH+]c2)c1 ZINC000346211660 386187934 /nfs/dbraw/zinc/18/79/34/386187934.db2.gz IGRUWUYYLPOQQO-ONEGZZNKSA-N 1 2 242.322 3.607 20 0 BHADLO Cc1ccccc1[N@H+](CC[C@@H]1CCCO1)C(C)C ZINC000346423319 354925254 /nfs/dbraw/zinc/92/52/54/354925254.db2.gz BOPNDRDMLHTNGB-HNNXBMFYSA-N 1 2 247.382 3.779 20 0 BHADLO Cc1ccccc1[N@@H+](CC[C@@H]1CCCO1)C(C)C ZINC000346423319 354925251 /nfs/dbraw/zinc/92/52/51/354925251.db2.gz BOPNDRDMLHTNGB-HNNXBMFYSA-N 1 2 247.382 3.779 20 0 BHADLO Cc1ccccc1[N@H+](CC[C@H]1CCCO1)C(C)C ZINC000346423320 354925020 /nfs/dbraw/zinc/92/50/20/354925020.db2.gz BOPNDRDMLHTNGB-OAHLLOKOSA-N 1 2 247.382 3.779 20 0 BHADLO Cc1ccccc1[N@@H+](CC[C@H]1CCCO1)C(C)C ZINC000346423320 354925015 /nfs/dbraw/zinc/92/50/15/354925015.db2.gz BOPNDRDMLHTNGB-OAHLLOKOSA-N 1 2 247.382 3.779 20 0 BHADLO C/C=C/CSCc1[nH+]cc(C)c(OC)c1C ZINC000346569287 354971273 /nfs/dbraw/zinc/97/12/73/354971273.db2.gz RGMSGRCQPDWOBT-AATRIKPKSA-N 1 2 237.368 3.516 20 0 BHADLO C/C=C\CSCc1[nH+]cc(C)c(OC)c1C ZINC000346569288 354971094 /nfs/dbraw/zinc/97/10/94/354971094.db2.gz RGMSGRCQPDWOBT-WAYWQWQTSA-N 1 2 237.368 3.516 20 0 BHADLO CC(C)c1nc(N(C)C2CCC(C)CC2)cc[nH+]1 ZINC000346589781 354985985 /nfs/dbraw/zinc/98/59/85/354985985.db2.gz DTRBTNSQKCKSQY-UHFFFAOYSA-N 1 2 247.386 3.615 20 0 BHADLO CC(C)c1nc(N(C)[C@@H]2CCC[C@@H](C)C2)cc[nH+]1 ZINC000346609386 354991851 /nfs/dbraw/zinc/99/18/51/354991851.db2.gz UYIZDTDAFSLVGQ-CHWSQXEVSA-N 1 2 247.386 3.615 20 0 BHADLO CC(C)c1nc(N(C)[C@H]2CCC[C@@H](C)C2)cc[nH+]1 ZINC000346609387 354991983 /nfs/dbraw/zinc/99/19/83/354991983.db2.gz UYIZDTDAFSLVGQ-OLZOCXBDSA-N 1 2 247.386 3.615 20 0 BHADLO CC(C)c1nc(N(C)[C@@H]2CCC[C@H](C)C2)cc[nH+]1 ZINC000346609388 354991941 /nfs/dbraw/zinc/99/19/41/354991941.db2.gz UYIZDTDAFSLVGQ-QWHCGFSZSA-N 1 2 247.386 3.615 20 0 BHADLO CC(C)c1nc(N(C)[C@H]2CCC[C@H](C)C2)cc[nH+]1 ZINC000346609389 354991973 /nfs/dbraw/zinc/99/19/73/354991973.db2.gz UYIZDTDAFSLVGQ-STQMWFEESA-N 1 2 247.386 3.615 20 0 BHADLO Cc1cc(N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)nc[nH+]1 ZINC000346619661 354994692 /nfs/dbraw/zinc/99/46/92/354994692.db2.gz NLAPUFAESMPHQV-BFHYXJOUSA-N 1 2 245.370 3.556 20 0 BHADLO Cc1cc(N[C@@H]2CC[C@H]3CCCC[C@H]3C2)nc[nH+]1 ZINC000346619662 354994703 /nfs/dbraw/zinc/99/47/03/354994703.db2.gz NLAPUFAESMPHQV-HZSPNIEDSA-N 1 2 245.370 3.556 20 0 BHADLO Cc1cc(N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)nc[nH+]1 ZINC000346619663 354994660 /nfs/dbraw/zinc/99/46/60/354994660.db2.gz NLAPUFAESMPHQV-MELADBBJSA-N 1 2 245.370 3.556 20 0 BHADLO Cc1cc(N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)nc[nH+]1 ZINC000346619664 354994910 /nfs/dbraw/zinc/99/49/10/354994910.db2.gz NLAPUFAESMPHQV-MGPQQGTHSA-N 1 2 245.370 3.556 20 0 BHADLO Cc1ccc(Nc2cc(C)[nH+]c(C3CC3)n2)cc1 ZINC000346648827 355017976 /nfs/dbraw/zinc/01/79/76/355017976.db2.gz FQXXVXHYBYHRQE-UHFFFAOYSA-N 1 2 239.322 3.714 20 0 BHADLO Cc1ccc([C@H](C)Nc2cc(C)[nH+]cn2)c(C)c1 ZINC000346772985 355113563 /nfs/dbraw/zinc/11/35/63/355113563.db2.gz BXTOFNJPNZHOSB-ZDUSSCGKSA-N 1 2 241.338 3.575 20 0 BHADLO CC(C)C[C@H]1CCCN1c1cc[nH+]c(C(C)C)n1 ZINC000346933932 355181787 /nfs/dbraw/zinc/18/17/87/355181787.db2.gz FPGIXZRSORHMOC-CYBMUJFWSA-N 1 2 247.386 3.615 20 0 BHADLO CC(C)C[C@@H]1CCCN1c1cc[nH+]c(C(C)C)n1 ZINC000346933934 355182080 /nfs/dbraw/zinc/18/20/80/355182080.db2.gz FPGIXZRSORHMOC-ZDUSSCGKSA-N 1 2 247.386 3.615 20 0 BHADLO CCC1(C)CCN(c2cc[nH+]c(C(C)C)n2)CC1 ZINC000347019511 355206512 /nfs/dbraw/zinc/20/65/12/355206512.db2.gz RTZLUSQJRNYPQI-UHFFFAOYSA-N 1 2 247.386 3.617 20 0 BHADLO Cc1ccc(N[C@H]2CCc3c2cccc3C)c[nH+]1 ZINC000347119717 386233679 /nfs/dbraw/zinc/23/36/79/386233679.db2.gz CDNXPIVTGATSRT-INIZCTEOSA-N 1 2 238.334 3.798 20 0 BHADLO Cc1ccc(N[C@@H]2CCc3c2cccc3C)c[nH+]1 ZINC000347119719 386233635 /nfs/dbraw/zinc/23/36/35/386233635.db2.gz CDNXPIVTGATSRT-MRXNPFEDSA-N 1 2 238.334 3.798 20 0 BHADLO Cc1sc(CNc2cccc[nH+]2)nc1C(C)C ZINC000347205229 386280852 /nfs/dbraw/zinc/28/08/52/386280852.db2.gz QPEDWBUHTYUGQH-UHFFFAOYSA-N 1 2 247.367 3.582 20 0 BHADLO CC[N@@H+](CCCc1ccncc1)c1ccccc1 ZINC000347290047 386292720 /nfs/dbraw/zinc/29/27/20/386292720.db2.gz VBGWDXIWKMGQJO-UHFFFAOYSA-N 1 2 240.350 3.541 20 0 BHADLO CC[N@H+](CCCc1ccncc1)c1ccccc1 ZINC000347290047 386292716 /nfs/dbraw/zinc/29/27/16/386292716.db2.gz VBGWDXIWKMGQJO-UHFFFAOYSA-N 1 2 240.350 3.541 20 0 BHADLO Cc1ccc(NC[C@H](C)Cc2ccccc2)c[nH+]1 ZINC000347338945 386334668 /nfs/dbraw/zinc/33/46/68/386334668.db2.gz WYHRTDBIWKNEED-CYBMUJFWSA-N 1 2 240.350 3.681 20 0 BHADLO Cc1ccc(NC[C@@H](C)Cc2ccccc2)c[nH+]1 ZINC000347338949 386336892 /nfs/dbraw/zinc/33/68/92/386336892.db2.gz WYHRTDBIWKNEED-ZDUSSCGKSA-N 1 2 240.350 3.681 20 0 BHADLO Clc1cccc2c1C[N@@H+](Cc1cccs1)C2 ZINC000347446031 386408126 /nfs/dbraw/zinc/40/81/26/386408126.db2.gz HBYAIAHYVVJBBI-UHFFFAOYSA-N 1 2 249.766 3.917 20 0 BHADLO Clc1cccc2c1C[N@H+](Cc1cccs1)C2 ZINC000347446031 386408121 /nfs/dbraw/zinc/40/81/21/386408121.db2.gz HBYAIAHYVVJBBI-UHFFFAOYSA-N 1 2 249.766 3.917 20 0 BHADLO Clc1cccc2c1C[N@@H+](Cc1ccccc1)C2 ZINC000347449454 386409465 /nfs/dbraw/zinc/40/94/65/386409465.db2.gz NKICJAPLKCPFCB-UHFFFAOYSA-N 1 2 243.737 3.856 20 0 BHADLO Clc1cccc2c1C[N@H+](Cc1ccccc1)C2 ZINC000347449454 386409463 /nfs/dbraw/zinc/40/94/63/386409463.db2.gz NKICJAPLKCPFCB-UHFFFAOYSA-N 1 2 243.737 3.856 20 0 BHADLO Cc1cc[nH+]cc1CCCNc1cccc(F)c1 ZINC000347918171 136018051 /nfs/dbraw/zinc/01/80/51/136018051.db2.gz LSYPOCUTVLUYPL-UHFFFAOYSA-N 1 2 244.313 3.574 20 0 BHADLO Cc1cc[nH+]cc1CCCNc1ccc(F)cc1 ZINC000347921431 136018809 /nfs/dbraw/zinc/01/88/09/136018809.db2.gz QDRYZFVNAHUGNF-UHFFFAOYSA-N 1 2 244.313 3.574 20 0 BHADLO Cc1cc[nH+]cc1CCCNc1ccccc1F ZINC000347921555 136018664 /nfs/dbraw/zinc/01/86/64/136018664.db2.gz QPGKTAIOPVRNIV-UHFFFAOYSA-N 1 2 244.313 3.574 20 0 BHADLO C[N@@H+](Cc1ccoc1)Cc1ccccc1Cl ZINC000348084803 136034879 /nfs/dbraw/zinc/03/48/79/136034879.db2.gz SJIJFQXGXYCYDY-UHFFFAOYSA-N 1 2 235.714 3.565 20 0 BHADLO C[N@H+](Cc1ccoc1)Cc1ccccc1Cl ZINC000348084803 136034878 /nfs/dbraw/zinc/03/48/78/136034878.db2.gz SJIJFQXGXYCYDY-UHFFFAOYSA-N 1 2 235.714 3.565 20 0 BHADLO Cc1cc(C)c(NC(=O)CCC(C)(C)C)c(C)[nH+]1 ZINC000348197752 136051766 /nfs/dbraw/zinc/05/17/66/136051766.db2.gz HUPDPRZNLLHFJA-UHFFFAOYSA-N 1 2 248.370 3.772 20 0 BHADLO Cc1ccc(NC[C@H]2C[C@@H]2c2ccccc2)c[nH+]1 ZINC000348245435 136056816 /nfs/dbraw/zinc/05/68/16/136056816.db2.gz ORHISWUTBQKTBE-GDBMZVCRSA-N 1 2 238.334 3.606 20 0 BHADLO Cc1ccc(NC[C@@H]2C[C@@H]2c2ccccc2)c[nH+]1 ZINC000348245436 136056769 /nfs/dbraw/zinc/05/67/69/136056769.db2.gz ORHISWUTBQKTBE-GOEBONIOSA-N 1 2 238.334 3.606 20 0 BHADLO Cc1ccc(NC[C@@H]2C[C@H]2c2ccccc2)c[nH+]1 ZINC000348245437 136056627 /nfs/dbraw/zinc/05/66/27/136056627.db2.gz ORHISWUTBQKTBE-HOCLYGCPSA-N 1 2 238.334 3.606 20 0 BHADLO Cc1ccc(NC[C@H]2C[C@H]2c2ccccc2)c[nH+]1 ZINC000348245438 136056635 /nfs/dbraw/zinc/05/66/35/136056635.db2.gz ORHISWUTBQKTBE-ZBFHGGJFSA-N 1 2 238.334 3.606 20 0 BHADLO Cc1[nH+]cccc1NC[C@H]1C[C@H]1c1ccccc1 ZINC000348257073 136057977 /nfs/dbraw/zinc/05/79/77/136057977.db2.gz IGRDVUGEADHGMK-CABCVRRESA-N 1 2 238.334 3.606 20 0 BHADLO Cc1[nH+]cccc1NC[C@@H]1C[C@H]1c1ccccc1 ZINC000348257074 136057696 /nfs/dbraw/zinc/05/76/96/136057696.db2.gz IGRDVUGEADHGMK-GJZGRUSLSA-N 1 2 238.334 3.606 20 0 BHADLO Cc1[nH+]cccc1NC[C@H]1C[C@@H]1c1ccccc1 ZINC000348257075 136057723 /nfs/dbraw/zinc/05/77/23/136057723.db2.gz IGRDVUGEADHGMK-HUUCEWRRSA-N 1 2 238.334 3.606 20 0 BHADLO Cc1[nH+]cccc1NC[C@@H]1C[C@@H]1c1ccccc1 ZINC000348257076 136057901 /nfs/dbraw/zinc/05/79/01/136057901.db2.gz IGRDVUGEADHGMK-LSDHHAIUSA-N 1 2 238.334 3.606 20 0 BHADLO Cc1c[nH+]cc(NC[C@H]2C[C@@H]2c2ccccc2)c1 ZINC000348260488 136057899 /nfs/dbraw/zinc/05/78/99/136057899.db2.gz NTLMQMDASXWWPF-GDBMZVCRSA-N 1 2 238.334 3.606 20 0 BHADLO Cc1c[nH+]cc(NC[C@@H]2C[C@@H]2c2ccccc2)c1 ZINC000348260490 136057700 /nfs/dbraw/zinc/05/77/00/136057700.db2.gz NTLMQMDASXWWPF-GOEBONIOSA-N 1 2 238.334 3.606 20 0 BHADLO Cc1c[nH+]cc(NC[C@@H]2C[C@H]2c2ccccc2)c1 ZINC000348260493 136058047 /nfs/dbraw/zinc/05/80/47/136058047.db2.gz NTLMQMDASXWWPF-HOCLYGCPSA-N 1 2 238.334 3.606 20 0 BHADLO Cc1c[nH+]cc(NC[C@H]2C[C@H]2c2ccccc2)c1 ZINC000348260495 136057854 /nfs/dbraw/zinc/05/78/54/136057854.db2.gz NTLMQMDASXWWPF-ZBFHGGJFSA-N 1 2 238.334 3.606 20 0 BHADLO CC[C@H]([NH2+][C@@H](C)c1ccon1)c1ccccc1F ZINC000348261100 136058008 /nfs/dbraw/zinc/05/80/08/136058008.db2.gz KERISHBOWIEHEL-GWCFXTLKSA-N 1 2 248.301 3.616 20 0 BHADLO CC[C@@H]([NH2+][C@@H](C)c1ccon1)c1ccccc1F ZINC000348261101 136057680 /nfs/dbraw/zinc/05/76/80/136057680.db2.gz KERISHBOWIEHEL-GXFFZTMASA-N 1 2 248.301 3.616 20 0 BHADLO CC[C@H]([NH2+][C@H](C)c1ccon1)c1ccccc1F ZINC000348261102 535943305 /nfs/dbraw/zinc/94/33/05/535943305.db2.gz KERISHBOWIEHEL-MFKMUULPSA-N 1 2 248.301 3.616 20 0 BHADLO CC[C@@H]([NH2+][C@H](C)c1ccon1)c1ccccc1F ZINC000348261103 535808702 /nfs/dbraw/zinc/80/87/02/535808702.db2.gz KERISHBOWIEHEL-ZWNOBZJWSA-N 1 2 248.301 3.616 20 0 BHADLO CC[N@H+](Cc1ccc2occc2c1)CC(F)F ZINC000348262897 136057602 /nfs/dbraw/zinc/05/76/02/136057602.db2.gz RBFIPCOVLFUMCQ-UHFFFAOYSA-N 1 2 239.265 3.520 20 0 BHADLO CC[N@@H+](Cc1ccc2occc2c1)CC(F)F ZINC000348262897 136057601 /nfs/dbraw/zinc/05/76/01/136057601.db2.gz RBFIPCOVLFUMCQ-UHFFFAOYSA-N 1 2 239.265 3.520 20 0 BHADLO Cc1cc[nH+]cc1NC[C@@H]1C[C@H]1c1ccccc1 ZINC000348264957 136058493 /nfs/dbraw/zinc/05/84/93/136058493.db2.gz VLLRBAZVAKFHCS-GJZGRUSLSA-N 1 2 238.334 3.606 20 0 BHADLO C/C=C/c1ccc(N[C@@H](C)c2[nH+]ccn2C)cc1 ZINC000348309792 533456118 /nfs/dbraw/zinc/45/61/18/533456118.db2.gz BITNAANPUUTFIG-ITKZLYELSA-N 1 2 241.338 3.626 20 0 BHADLO C/C=C\c1ccc(N[C@H](C)c2[nH+]ccn2C)cc1 ZINC000348309795 136066692 /nfs/dbraw/zinc/06/66/92/136066692.db2.gz BITNAANPUUTFIG-QMAVJUDZSA-N 1 2 241.338 3.626 20 0 BHADLO C/C=C\c1ccc(N[C@@H](C)c2[nH+]ccn2C)cc1 ZINC000348309797 136066490 /nfs/dbraw/zinc/06/64/90/136066490.db2.gz BITNAANPUUTFIG-RXNFCKPNSA-N 1 2 241.338 3.626 20 0 BHADLO C/C=C/c1ccc(N[C@H](C)c2[nH+]ccn2C)cc1 ZINC000348309800 136066768 /nfs/dbraw/zinc/06/67/68/136066768.db2.gz BITNAANPUUTFIG-ZYOFXKKJSA-N 1 2 241.338 3.626 20 0 BHADLO CC=Cc1ccc(N[C@@H](C)c2[nH]cc[nH+]2)cc1 ZINC000348333329 541305437 /nfs/dbraw/zinc/30/54/37/541305437.db2.gz YMQSDPYVNFMGKZ-BYCRGOAPSA-N 1 2 227.311 3.616 20 0 BHADLO C/C=C\c1ccc(N[C@@H](C)c2[nH]cc[nH+]2)cc1 ZINC000348333329 541305433 /nfs/dbraw/zinc/30/54/33/541305433.db2.gz YMQSDPYVNFMGKZ-BYCRGOAPSA-N 1 2 227.311 3.616 20 0 BHADLO CC=Cc1ccc(N[C@H](C)c2[nH]cc[nH+]2)cc1 ZINC000348333330 541305564 /nfs/dbraw/zinc/30/55/64/541305564.db2.gz YMQSDPYVNFMGKZ-DLRQAJBASA-N 1 2 227.311 3.616 20 0 BHADLO C/C=C\c1ccc(N[C@H](C)c2[nH]cc[nH+]2)cc1 ZINC000348333330 541305558 /nfs/dbraw/zinc/30/55/58/541305558.db2.gz YMQSDPYVNFMGKZ-DLRQAJBASA-N 1 2 227.311 3.616 20 0 BHADLO CC=Cc1ccc(N[C@H](C)c2[nH]cc[nH+]2)cc1 ZINC000348333331 541305480 /nfs/dbraw/zinc/30/54/80/541305480.db2.gz YMQSDPYVNFMGKZ-PGLGOXFNSA-N 1 2 227.311 3.616 20 0 BHADLO C/C=C/c1ccc(N[C@H](C)c2[nH]cc[nH+]2)cc1 ZINC000348333331 541305475 /nfs/dbraw/zinc/30/54/75/541305475.db2.gz YMQSDPYVNFMGKZ-PGLGOXFNSA-N 1 2 227.311 3.616 20 0 BHADLO CC=Cc1ccc(N[C@@H](C)c2[nH]cc[nH+]2)cc1 ZINC000348333332 541305586 /nfs/dbraw/zinc/30/55/86/541305586.db2.gz YMQSDPYVNFMGKZ-UFFNRZRYSA-N 1 2 227.311 3.616 20 0 BHADLO C/C=C/c1ccc(N[C@@H](C)c2[nH]cc[nH+]2)cc1 ZINC000348333332 541305579 /nfs/dbraw/zinc/30/55/79/541305579.db2.gz YMQSDPYVNFMGKZ-UFFNRZRYSA-N 1 2 227.311 3.616 20 0 BHADLO Cc1ccc(F)c(NCc2ccc(C)[nH+]c2C)c1 ZINC000349762004 355433194 /nfs/dbraw/zinc/43/31/94/355433194.db2.gz BVWCBYPJGFDEKO-UHFFFAOYSA-N 1 2 244.313 3.758 20 0 BHADLO Cc1ccoc1C[N@H+](C)Cc1ccccc1Cl ZINC000350123305 355608810 /nfs/dbraw/zinc/60/88/10/355608810.db2.gz OQPCRRVQCJBPHH-UHFFFAOYSA-N 1 2 249.741 3.873 20 0 BHADLO Cc1ccoc1C[N@@H+](C)Cc1ccccc1Cl ZINC000350123305 355608808 /nfs/dbraw/zinc/60/88/08/355608808.db2.gz OQPCRRVQCJBPHH-UHFFFAOYSA-N 1 2 249.741 3.873 20 0 BHADLO Cc1nocc1C[N@@H+](CC1CCCCC1)C1CC1 ZINC000350518839 136361668 /nfs/dbraw/zinc/36/16/68/136361668.db2.gz WSUHZEWKVGFCOC-UHFFFAOYSA-N 1 2 248.370 3.528 20 0 BHADLO Cc1nocc1C[N@H+](CC1CCCCC1)C1CC1 ZINC000350518839 136361667 /nfs/dbraw/zinc/36/16/67/136361667.db2.gz WSUHZEWKVGFCOC-UHFFFAOYSA-N 1 2 248.370 3.528 20 0 BHADLO C[C@H]([NH2+][C@@H]1CC[C@@H]2CCC[C@@H]2C1)c1ccncc1 ZINC000350519340 136361976 /nfs/dbraw/zinc/36/19/76/136361976.db2.gz YHYYLUFQACKCPG-ARLBYUKCSA-N 1 2 244.382 3.701 20 0 BHADLO C[C@H]([NH2+][C@@H]1CC[C@H]2CCC[C@H]2C1)c1ccncc1 ZINC000350519341 136361800 /nfs/dbraw/zinc/36/18/00/136361800.db2.gz YHYYLUFQACKCPG-DRPJVOAASA-N 1 2 244.382 3.701 20 0 BHADLO C[C@H]([NH2+][C@@H]1CC[C@H]2CCC[C@@H]2C1)c1ccncc1 ZINC000350519342 136361699 /nfs/dbraw/zinc/36/16/99/136361699.db2.gz YHYYLUFQACKCPG-LCGIIJARSA-N 1 2 244.382 3.701 20 0 BHADLO C[C@H]([NH2+][C@@H]1CC[C@@H]2CCC[C@H]2C1)c1ccncc1 ZINC000350519343 136361834 /nfs/dbraw/zinc/36/18/34/136361834.db2.gz YHYYLUFQACKCPG-QCEMKRCNSA-N 1 2 244.382 3.701 20 0 BHADLO CCC1CC[NH+](Cc2ccsc2C)CC1 ZINC000350551352 136361926 /nfs/dbraw/zinc/36/19/26/136361926.db2.gz AXWYJQFNSMFIFK-UHFFFAOYSA-N 1 2 223.385 3.679 20 0 BHADLO CCC[N@H+](Cc1ccsc1C)CC(F)F ZINC000350946417 136365883 /nfs/dbraw/zinc/36/58/83/136365883.db2.gz ZGNPLLJBALHIKR-UHFFFAOYSA-N 1 2 233.327 3.534 20 0 BHADLO CCC[N@@H+](Cc1ccsc1C)CC(F)F ZINC000350946417 136365882 /nfs/dbraw/zinc/36/58/82/136365882.db2.gz ZGNPLLJBALHIKR-UHFFFAOYSA-N 1 2 233.327 3.534 20 0 BHADLO c1c[nH]c([C@@H]2CCC[N@@H+]2CCC2CCCCC2)n1 ZINC000351105398 136367989 /nfs/dbraw/zinc/36/79/89/136367989.db2.gz WDBGENOLHCIMTQ-AWEZNQCLSA-N 1 2 247.386 3.517 20 0 BHADLO c1c[nH]c([C@@H]2CCC[N@H+]2CCC2CCCCC2)n1 ZINC000351105398 136367988 /nfs/dbraw/zinc/36/79/88/136367988.db2.gz WDBGENOLHCIMTQ-AWEZNQCLSA-N 1 2 247.386 3.517 20 0 BHADLO c1c[nH]c([C@H]2CCC[N@@H+]2CCC2CCCCC2)n1 ZINC000351105399 136367924 /nfs/dbraw/zinc/36/79/24/136367924.db2.gz WDBGENOLHCIMTQ-CQSZACIVSA-N 1 2 247.386 3.517 20 0 BHADLO c1c[nH]c([C@H]2CCC[N@H+]2CCC2CCCCC2)n1 ZINC000351105399 136367923 /nfs/dbraw/zinc/36/79/23/136367923.db2.gz WDBGENOLHCIMTQ-CQSZACIVSA-N 1 2 247.386 3.517 20 0 BHADLO Cc1cc[nH+]cc1NCc1ccc2occc2c1 ZINC000351541534 356012943 /nfs/dbraw/zinc/01/29/43/356012943.db2.gz AGCNWXKMXNTMRC-UHFFFAOYSA-N 1 2 238.290 3.748 20 0 BHADLO Cc1c[nH+]cc(NCc2ccc3occc3c2)c1 ZINC000351618929 136248284 /nfs/dbraw/zinc/24/82/84/136248284.db2.gz CUXPNGHAZJLQQX-UHFFFAOYSA-N 1 2 238.290 3.748 20 0 BHADLO Cc1ccc(NCc2ccc3occc3c2)c[nH+]1 ZINC000351640324 356040654 /nfs/dbraw/zinc/04/06/54/356040654.db2.gz GVCJPNRGQKNPAE-UHFFFAOYSA-N 1 2 238.290 3.748 20 0 BHADLO Cc1[nH+]cccc1NCc1ccc2occc2c1 ZINC000351643040 356042510 /nfs/dbraw/zinc/04/25/10/356042510.db2.gz ZFRDNVCKOYFQGF-UHFFFAOYSA-N 1 2 238.290 3.748 20 0 BHADLO Cc1ccc(NC(=O)[C@@H](C)CC(C)(C)C)c(C)[nH+]1 ZINC000351770725 136253457 /nfs/dbraw/zinc/25/34/57/136253457.db2.gz PRJHAERYHMTJJD-JTQLQIEISA-N 1 2 248.370 3.709 20 0 BHADLO Cc1ccc(NC(=O)[C@H](C)CC(C)(C)C)c(C)[nH+]1 ZINC000351770726 136253562 /nfs/dbraw/zinc/25/35/62/136253562.db2.gz PRJHAERYHMTJJD-SNVBAGLBSA-N 1 2 248.370 3.709 20 0 BHADLO COCCCC[N@H+]1CCC[C@H](C)c2ccccc21 ZINC000351979257 134025436 /nfs/dbraw/zinc/02/54/36/134025436.db2.gz LGCAOOCLRAAJEJ-AWEZNQCLSA-N 1 2 247.382 3.817 20 0 BHADLO COCCCC[N@@H+]1CCC[C@H](C)c2ccccc21 ZINC000351979257 134025435 /nfs/dbraw/zinc/02/54/35/134025435.db2.gz LGCAOOCLRAAJEJ-AWEZNQCLSA-N 1 2 247.382 3.817 20 0 BHADLO COCCCC[N@H+]1CCC[C@@H](C)c2ccccc21 ZINC000351979258 134025619 /nfs/dbraw/zinc/02/56/19/134025619.db2.gz LGCAOOCLRAAJEJ-CQSZACIVSA-N 1 2 247.382 3.817 20 0 BHADLO COCCCC[N@@H+]1CCC[C@@H](C)c2ccccc21 ZINC000351979258 134025618 /nfs/dbraw/zinc/02/56/18/134025618.db2.gz LGCAOOCLRAAJEJ-CQSZACIVSA-N 1 2 247.382 3.817 20 0 BHADLO Fc1ccc2oc(C[N@@H+]3CCC=C(F)C3)cc2c1 ZINC000351980583 134025718 /nfs/dbraw/zinc/02/57/18/134025718.db2.gz FSGUWWQNZJJBBY-UHFFFAOYSA-N 1 2 249.260 3.631 20 0 BHADLO Fc1ccc2oc(C[N@H+]3CCC=C(F)C3)cc2c1 ZINC000351980583 134025717 /nfs/dbraw/zinc/02/57/17/134025717.db2.gz FSGUWWQNZJJBBY-UHFFFAOYSA-N 1 2 249.260 3.631 20 0 BHADLO Cc1cc(C[N@H+]2CCC=C(F)C2)ccc1Cl ZINC000351981954 134025989 /nfs/dbraw/zinc/02/59/89/134025989.db2.gz MNDZVEDICKWBJO-UHFFFAOYSA-N 1 2 239.721 3.708 20 0 BHADLO Cc1cc(C[N@@H+]2CCC=C(F)C2)ccc1Cl ZINC000351981954 134025988 /nfs/dbraw/zinc/02/59/88/134025988.db2.gz MNDZVEDICKWBJO-UHFFFAOYSA-N 1 2 239.721 3.708 20 0 BHADLO C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1ncc(Cl)s1 ZINC000352002082 134033789 /nfs/dbraw/zinc/03/37/89/134033789.db2.gz KEDFATFYAFRECS-DTORHVGOSA-N 1 2 244.791 3.559 20 0 BHADLO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1ncc(Cl)s1 ZINC000352002082 134033788 /nfs/dbraw/zinc/03/37/88/134033788.db2.gz KEDFATFYAFRECS-DTORHVGOSA-N 1 2 244.791 3.559 20 0 BHADLO C[C@H]1CCC[C@H](C)[NH+]1Cc1ncc(Cl)s1 ZINC000352002083 134033552 /nfs/dbraw/zinc/03/35/52/134033552.db2.gz KEDFATFYAFRECS-IUCAKERBSA-N 1 2 244.791 3.559 20 0 BHADLO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1ncc(Cl)s1 ZINC000352002084 134034023 /nfs/dbraw/zinc/03/40/23/134034023.db2.gz KEDFATFYAFRECS-RKDXNWHRSA-N 1 2 244.791 3.559 20 0 BHADLO CC[C@@H]1CCCC[N@H+]1Cc1ncc(Cl)s1 ZINC000352002947 134033840 /nfs/dbraw/zinc/03/38/40/134033840.db2.gz OJSXHSLTBNFREQ-SECBINFHSA-N 1 2 244.791 3.561 20 0 BHADLO CC[C@@H]1CCCC[N@@H+]1Cc1ncc(Cl)s1 ZINC000352002947 134033839 /nfs/dbraw/zinc/03/38/39/134033839.db2.gz OJSXHSLTBNFREQ-SECBINFHSA-N 1 2 244.791 3.561 20 0 BHADLO CC[C@H]1CCCC[N@H+]1Cc1ncc(Cl)s1 ZINC000352002948 134033591 /nfs/dbraw/zinc/03/35/91/134033591.db2.gz OJSXHSLTBNFREQ-VIFPVBQESA-N 1 2 244.791 3.561 20 0 BHADLO CC[C@H]1CCCC[N@@H+]1Cc1ncc(Cl)s1 ZINC000352002948 134033590 /nfs/dbraw/zinc/03/35/90/134033590.db2.gz OJSXHSLTBNFREQ-VIFPVBQESA-N 1 2 244.791 3.561 20 0 BHADLO C[C@@H]1CCCCC[N@H+]1Cc1ncc(Cl)s1 ZINC000352005004 134034664 /nfs/dbraw/zinc/03/46/64/134034664.db2.gz XCSVTKBBWQBQKA-SECBINFHSA-N 1 2 244.791 3.561 20 0 BHADLO C[C@@H]1CCCCC[N@@H+]1Cc1ncc(Cl)s1 ZINC000352005004 134034663 /nfs/dbraw/zinc/03/46/63/134034663.db2.gz XCSVTKBBWQBQKA-SECBINFHSA-N 1 2 244.791 3.561 20 0 BHADLO C[C@H]1CCCCC[N@H+]1Cc1ncc(Cl)s1 ZINC000352005005 134034527 /nfs/dbraw/zinc/03/45/27/134034527.db2.gz XCSVTKBBWQBQKA-VIFPVBQESA-N 1 2 244.791 3.561 20 0 BHADLO C[C@H]1CCCCC[N@@H+]1Cc1ncc(Cl)s1 ZINC000352005005 134034526 /nfs/dbraw/zinc/03/45/26/134034526.db2.gz XCSVTKBBWQBQKA-VIFPVBQESA-N 1 2 244.791 3.561 20 0 BHADLO C[C@@H](F)CC[N@H+](Cc1ccccc1)CC(F)F ZINC000352024860 387009091 /nfs/dbraw/zinc/00/90/91/387009091.db2.gz JQEAILBWCWTQBP-LLVKDONJSA-N 1 2 245.288 3.502 20 0 BHADLO C[C@@H](F)CC[N@@H+](Cc1ccccc1)CC(F)F ZINC000352024860 387009085 /nfs/dbraw/zinc/00/90/85/387009085.db2.gz JQEAILBWCWTQBP-LLVKDONJSA-N 1 2 245.288 3.502 20 0 BHADLO C[C@H](F)CC[N@H+](Cc1ccccc1)CC(F)F ZINC000352024861 387009143 /nfs/dbraw/zinc/00/91/43/387009143.db2.gz JQEAILBWCWTQBP-NSHDSACASA-N 1 2 245.288 3.502 20 0 BHADLO C[C@H](F)CC[N@@H+](Cc1ccccc1)CC(F)F ZINC000352024861 387009139 /nfs/dbraw/zinc/00/91/39/387009139.db2.gz JQEAILBWCWTQBP-NSHDSACASA-N 1 2 245.288 3.502 20 0 BHADLO FC(F)(F)[C@H]([NH2+]C1CCC2(CC2)CC1)C1CC1 ZINC000352505071 387267349 /nfs/dbraw/zinc/26/73/49/387267349.db2.gz XLFBHPIZDISVAP-LLVKDONJSA-N 1 2 247.304 3.640 20 0 BHADLO FC(F)(F)[C@@H]([NH2+]C1CCC2(CC2)CC1)C1CC1 ZINC000352505072 387267078 /nfs/dbraw/zinc/26/70/78/387267078.db2.gz XLFBHPIZDISVAP-NSHDSACASA-N 1 2 247.304 3.640 20 0 BHADLO CCc1[nH+]c(C)ccc1OCc1ccccc1 ZINC000352547995 356377681 /nfs/dbraw/zinc/37/76/81/356377681.db2.gz MBGVQJFIFLMCBA-UHFFFAOYSA-N 1 2 227.307 3.531 20 0 BHADLO CSc1ccc(Nc2cc(C)[nH+]c(C)n2)cc1 ZINC000352748998 387513827 /nfs/dbraw/zinc/51/38/27/387513827.db2.gz ORMPGNSMJOCQHU-UHFFFAOYSA-N 1 2 245.351 3.559 20 0 BHADLO CC(C)Oc1ccccc1C[N@H+]1CCC=C(F)C1 ZINC000352779843 167311218 /nfs/dbraw/zinc/31/12/18/167311218.db2.gz RBXYPPNEKOGONC-UHFFFAOYSA-N 1 2 249.329 3.533 20 0 BHADLO CC(C)Oc1ccccc1C[N@@H+]1CCC=C(F)C1 ZINC000352779843 167311215 /nfs/dbraw/zinc/31/12/15/167311215.db2.gz RBXYPPNEKOGONC-UHFFFAOYSA-N 1 2 249.329 3.533 20 0 BHADLO CC(C)Oc1cccc(C[N@H+]2CCC=C(F)C2)c1 ZINC000352780100 167304672 /nfs/dbraw/zinc/30/46/72/167304672.db2.gz RRZCLPXOAVIIBJ-UHFFFAOYSA-N 1 2 249.329 3.533 20 0 BHADLO CC(C)Oc1cccc(C[N@@H+]2CCC=C(F)C2)c1 ZINC000352780100 167304671 /nfs/dbraw/zinc/30/46/71/167304671.db2.gz RRZCLPXOAVIIBJ-UHFFFAOYSA-N 1 2 249.329 3.533 20 0 BHADLO CC(C)Oc1ccc(C[N@H+]2CCC=C(F)C2)cc1 ZINC000352785406 167292059 /nfs/dbraw/zinc/29/20/59/167292059.db2.gz YWBJACRMHYINOI-UHFFFAOYSA-N 1 2 249.329 3.533 20 0 BHADLO CC(C)Oc1ccc(C[N@@H+]2CCC=C(F)C2)cc1 ZINC000352785406 167292055 /nfs/dbraw/zinc/29/20/55/167292055.db2.gz YWBJACRMHYINOI-UHFFFAOYSA-N 1 2 249.329 3.533 20 0 BHADLO Cc1cc(Cl)cc(C[N@H+]2CCC=C(F)C2)c1 ZINC000352836827 178063903 /nfs/dbraw/zinc/06/39/03/178063903.db2.gz ANOFIGLYQXINFV-UHFFFAOYSA-N 1 2 239.721 3.708 20 0 BHADLO Cc1cc(Cl)cc(C[N@@H+]2CCC=C(F)C2)c1 ZINC000352836827 178063902 /nfs/dbraw/zinc/06/39/02/178063902.db2.gz ANOFIGLYQXINFV-UHFFFAOYSA-N 1 2 239.721 3.708 20 0 BHADLO CCC[N@@H+](CC(F)F)[C@@H]1C[C@@H]1c1ccccc1 ZINC000353055743 169109272 /nfs/dbraw/zinc/10/92/72/169109272.db2.gz HGFGYHYXUACQMM-CHWSQXEVSA-N 1 2 239.309 3.520 20 0 BHADLO CCC[N@H+](CC(F)F)[C@@H]1C[C@@H]1c1ccccc1 ZINC000353055743 169109270 /nfs/dbraw/zinc/10/92/70/169109270.db2.gz HGFGYHYXUACQMM-CHWSQXEVSA-N 1 2 239.309 3.520 20 0 BHADLO Cc1cc(C[N@H+]2CCC[C@@H]2C(F)F)c(C)s1 ZINC000353170580 385656662 /nfs/dbraw/zinc/65/66/62/385656662.db2.gz KUCPKILLXPWNQF-LLVKDONJSA-N 1 2 245.338 3.594 20 0 BHADLO Cc1cc(C[N@@H+]2CCC[C@@H]2C(F)F)c(C)s1 ZINC000353170580 385656655 /nfs/dbraw/zinc/65/66/55/385656655.db2.gz KUCPKILLXPWNQF-LLVKDONJSA-N 1 2 245.338 3.594 20 0 BHADLO Cc1cc(C[N@H+]2CCC[C@H]2C(F)F)c(C)s1 ZINC000353170581 385657679 /nfs/dbraw/zinc/65/76/79/385657679.db2.gz KUCPKILLXPWNQF-NSHDSACASA-N 1 2 245.338 3.594 20 0 BHADLO Cc1cc(C[N@@H+]2CCC[C@H]2C(F)F)c(C)s1 ZINC000353170581 385657675 /nfs/dbraw/zinc/65/76/75/385657675.db2.gz KUCPKILLXPWNQF-NSHDSACASA-N 1 2 245.338 3.594 20 0 BHADLO Cc1sccc1C[N@@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000353207193 387159816 /nfs/dbraw/zinc/15/98/16/387159816.db2.gz YADCKTHIKBJESY-SECBINFHSA-N 1 2 245.338 3.534 20 0 BHADLO Cc1sccc1C[N@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000353207193 387159813 /nfs/dbraw/zinc/15/98/13/387159813.db2.gz YADCKTHIKBJESY-SECBINFHSA-N 1 2 245.338 3.534 20 0 BHADLO Cc1sccc1C[N@@H+]1CC[C@H](C)C(F)(F)C1 ZINC000353207195 387159701 /nfs/dbraw/zinc/15/97/01/387159701.db2.gz YADCKTHIKBJESY-VIFPVBQESA-N 1 2 245.338 3.534 20 0 BHADLO Cc1sccc1C[N@H+]1CC[C@H](C)C(F)(F)C1 ZINC000353207195 387159692 /nfs/dbraw/zinc/15/96/92/387159692.db2.gz YADCKTHIKBJESY-VIFPVBQESA-N 1 2 245.338 3.534 20 0 BHADLO Cc1cccc2[nH+]c(CSC3CCCC3)cn21 ZINC000353251772 179230079 /nfs/dbraw/zinc/23/00/79/179230079.db2.gz WFGCZZYRJJNTPT-UHFFFAOYSA-N 1 2 246.379 3.819 20 0 BHADLO CSc1ccc(N[C@@H]2CCC23CCCC3)[nH+]c1 ZINC000353265725 188061308 /nfs/dbraw/zinc/06/13/08/188061308.db2.gz AQZASLOYXJIHSO-GFCCVEGCSA-N 1 2 248.395 3.938 20 0 BHADLO CSc1ccc(N[C@H]2CCC23CCCC3)[nH+]c1 ZINC000353265726 387168531 /nfs/dbraw/zinc/16/85/31/387168531.db2.gz AQZASLOYXJIHSO-LBPRGKRZSA-N 1 2 248.395 3.938 20 0 BHADLO Cc1sccc1C[N@H+]1CCCC[C@@H]1C(F)F ZINC000353352764 387188202 /nfs/dbraw/zinc/18/82/02/387188202.db2.gz OSHDTWRERXJCIJ-LLVKDONJSA-N 1 2 245.338 3.676 20 0 BHADLO Cc1sccc1C[N@@H+]1CCCC[C@@H]1C(F)F ZINC000353352764 387188199 /nfs/dbraw/zinc/18/81/99/387188199.db2.gz OSHDTWRERXJCIJ-LLVKDONJSA-N 1 2 245.338 3.676 20 0 BHADLO Cc1sccc1C[N@H+]1CCCC[C@H]1C(F)F ZINC000353352768 387187648 /nfs/dbraw/zinc/18/76/48/387187648.db2.gz OSHDTWRERXJCIJ-NSHDSACASA-N 1 2 245.338 3.676 20 0 BHADLO Cc1sccc1C[N@@H+]1CCCC[C@H]1C(F)F ZINC000353352768 387187644 /nfs/dbraw/zinc/18/76/44/387187644.db2.gz OSHDTWRERXJCIJ-NSHDSACASA-N 1 2 245.338 3.676 20 0 BHADLO Clc1ccccc1C[NH+]1Cc2ccccc2C1 ZINC000353383815 386633310 /nfs/dbraw/zinc/63/33/10/386633310.db2.gz GUOJMQROCMMPQI-UHFFFAOYSA-N 1 2 243.737 3.856 20 0 BHADLO Clc1ccc(C[NH+]2Cc3ccccc3C2)cc1 ZINC000353393322 387195598 /nfs/dbraw/zinc/19/55/98/387195598.db2.gz JCYIRYJUXVLWFX-UHFFFAOYSA-N 1 2 243.737 3.856 20 0 BHADLO Clc1cccc(C[NH+]2Cc3ccccc3C2)c1 ZINC000353395519 387195933 /nfs/dbraw/zinc/19/59/33/387195933.db2.gz QHEMYCDHYSIPMZ-UHFFFAOYSA-N 1 2 243.737 3.856 20 0 BHADLO Cc1ccc(F)c(C[NH+]2Cc3ccccc3C2)c1 ZINC000353396476 387194427 /nfs/dbraw/zinc/19/44/27/387194427.db2.gz TUQOUZGLSXFNEO-UHFFFAOYSA-N 1 2 241.309 3.650 20 0 BHADLO CC[C@@H]([NH2+]C1(C(F)F)CC1)c1cccc(C)c1 ZINC000353594592 387238453 /nfs/dbraw/zinc/23/84/53/387238453.db2.gz NDAAGIJOPYOYNL-GFCCVEGCSA-N 1 2 239.309 3.833 20 0 BHADLO CC[C@H]([NH2+]C1(C(F)F)CC1)c1cccc(C)c1 ZINC000353594593 387239479 /nfs/dbraw/zinc/23/94/79/387239479.db2.gz NDAAGIJOPYOYNL-LBPRGKRZSA-N 1 2 239.309 3.833 20 0 BHADLO C[C@@H](Nc1ccc(F)c(C2CC2)c1)c1[nH]cc[nH+]1 ZINC000353607062 541483579 /nfs/dbraw/zinc/48/35/79/541483579.db2.gz OCHARFWQMVKQGH-SECBINFHSA-N 1 2 245.301 3.599 20 0 BHADLO C[C@H](Nc1ccc(F)c(C2CC2)c1)c1[nH]cc[nH+]1 ZINC000353607065 541483700 /nfs/dbraw/zinc/48/37/00/541483700.db2.gz OCHARFWQMVKQGH-VIFPVBQESA-N 1 2 245.301 3.599 20 0 BHADLO Cc1cccc(C[N@@H+](CC(F)F)C2CC2)c1C ZINC000353626764 179072194 /nfs/dbraw/zinc/07/21/94/179072194.db2.gz YQJMMFSBXKJBAB-UHFFFAOYSA-N 1 2 239.309 3.533 20 0 BHADLO Cc1cccc(C[N@H+](CC(F)F)C2CC2)c1C ZINC000353626764 179072193 /nfs/dbraw/zinc/07/21/93/179072193.db2.gz YQJMMFSBXKJBAB-UHFFFAOYSA-N 1 2 239.309 3.533 20 0 BHADLO C[C@@H](Nc1cccc2ccccc21)c1[nH]cc[nH+]1 ZINC000353648349 541484252 /nfs/dbraw/zinc/48/42/52/541484252.db2.gz OTWGTWZATSOSQJ-LLVKDONJSA-N 1 2 237.306 3.736 20 0 BHADLO C[C@H](Nc1cccc2ccccc21)c1[nH]cc[nH+]1 ZINC000353648352 541484524 /nfs/dbraw/zinc/48/45/24/541484524.db2.gz OTWGTWZATSOSQJ-NSHDSACASA-N 1 2 237.306 3.736 20 0 BHADLO C[C@@H](Nc1cccc2ccsc21)c1[nH]cc[nH+]1 ZINC000353669384 538754058 /nfs/dbraw/zinc/75/40/58/538754058.db2.gz IYMMGVMYQPMMHI-SECBINFHSA-N 1 2 243.335 3.798 20 0 BHADLO C[C@H](Nc1cccc2ccsc21)c1[nH]cc[nH+]1 ZINC000353669399 538754082 /nfs/dbraw/zinc/75/40/82/538754082.db2.gz IYMMGVMYQPMMHI-VIFPVBQESA-N 1 2 243.335 3.798 20 0 BHADLO C[C@@H](Nc1csc2ccccc12)c1[nH]cc[nH+]1 ZINC000353684353 538762111 /nfs/dbraw/zinc/76/21/11/538762111.db2.gz RUMOQAPHUJQFSP-SECBINFHSA-N 1 2 243.335 3.798 20 0 BHADLO C[C@H](Nc1csc2ccccc12)c1[nH]cc[nH+]1 ZINC000353684354 538762090 /nfs/dbraw/zinc/76/20/90/538762090.db2.gz RUMOQAPHUJQFSP-VIFPVBQESA-N 1 2 243.335 3.798 20 0 BHADLO Cc1cccc(NCCCc2ccc(C)[nH+]c2)c1 ZINC000353787830 179143493 /nfs/dbraw/zinc/14/34/93/179143493.db2.gz AQVMNLFUIWHYSJ-UHFFFAOYSA-N 1 2 240.350 3.743 20 0 BHADLO Cc1ccc(CCCNc2cccc(F)c2)c[nH+]1 ZINC000353818886 387280317 /nfs/dbraw/zinc/28/03/17/387280317.db2.gz UTYFTSOKBDEKKB-UHFFFAOYSA-N 1 2 244.313 3.574 20 0 BHADLO Cc1ccc(CCCNc2ccccc2F)c[nH+]1 ZINC000353820352 353794705 /nfs/dbraw/zinc/79/47/05/353794705.db2.gz YKSBXHUVOCGNGW-UHFFFAOYSA-N 1 2 244.313 3.574 20 0 BHADLO Cc1ccc(CCCNc2ccc(F)cc2)c[nH+]1 ZINC000353829324 387282171 /nfs/dbraw/zinc/28/21/71/387282171.db2.gz UEDLJGQHZKTTSB-UHFFFAOYSA-N 1 2 244.313 3.574 20 0 BHADLO Cc1ccc(CCCNc2ccccc2C)c[nH+]1 ZINC000353829541 353847238 /nfs/dbraw/zinc/84/72/38/353847238.db2.gz KNUDERQRBDFCRP-UHFFFAOYSA-N 1 2 240.350 3.743 20 0 BHADLO CC(C)CCN(c1cc[nH+]c(C(C)C)n1)C1CC1 ZINC000354046129 387319674 /nfs/dbraw/zinc/31/96/74/387319674.db2.gz BAYOIPLZOSMOML-UHFFFAOYSA-N 1 2 247.386 3.615 20 0 BHADLO CCC[C@H](Nc1cc(C)[nH+]cn1)c1ccccc1 ZINC000354049354 487712534 /nfs/dbraw/zinc/71/25/34/487712534.db2.gz UFWIJBAJKFCPKT-AWEZNQCLSA-N 1 2 241.338 3.738 20 0 BHADLO CCC[C@@H](Nc1cc(C)[nH+]cn1)c1ccccc1 ZINC000354049355 487712285 /nfs/dbraw/zinc/71/22/85/487712285.db2.gz UFWIJBAJKFCPKT-CQSZACIVSA-N 1 2 241.338 3.738 20 0 BHADLO CN(CC1CCC1)c1[nH+]ccc2ccc(F)cc21 ZINC000354325631 387360201 /nfs/dbraw/zinc/36/02/01/387360201.db2.gz VPSQBNZQIDTWRN-UHFFFAOYSA-N 1 2 244.313 3.610 20 0 BHADLO Fc1ccc2cc[nH+]c(N[C@@H]3CC=CCC3)c2c1 ZINC000354327768 387360302 /nfs/dbraw/zinc/36/03/02/387360302.db2.gz KCESTGMSBINTAX-CYBMUJFWSA-N 1 2 242.297 3.895 20 0 BHADLO Fc1ccc2cc[nH+]c(N[C@H]3CC=CCC3)c2c1 ZINC000354327769 387360209 /nfs/dbraw/zinc/36/02/09/387360209.db2.gz KCESTGMSBINTAX-ZDUSSCGKSA-N 1 2 242.297 3.895 20 0 BHADLO CC1(C)CCN(c2[nH+]ccc3ccc(F)cc32)C1 ZINC000354341869 387361523 /nfs/dbraw/zinc/36/15/23/387361523.db2.gz VKSLUWPZRYSLTJ-UHFFFAOYSA-N 1 2 244.313 3.610 20 0 BHADLO CCc1cccc(F)c1CNc1ccc(C)[nH+]c1 ZINC000354473322 387381336 /nfs/dbraw/zinc/38/13/36/387381336.db2.gz XZLVWMLPCFCFLK-UHFFFAOYSA-N 1 2 244.313 3.704 20 0 BHADLO CC(C)(C)C1CCC(Cn2cc[nH+]c2)CC1 ZINC000354510744 387387571 /nfs/dbraw/zinc/38/75/71/387387571.db2.gz QFGZPEMICAJLFL-UHFFFAOYSA-N 1 2 220.360 3.736 20 0 BHADLO C[C@@H]1CCN(c2[nH+]ccc3ccc(F)cc32)[C@@H]1C ZINC000354535758 176182188 /nfs/dbraw/zinc/18/21/88/176182188.db2.gz GDBJUONHWQHHGB-GHMZBOCLSA-N 1 2 244.313 3.609 20 0 BHADLO C[C@@H]1CCN(c2[nH+]ccc3ccc(F)cc32)[C@H]1C ZINC000354535759 387391534 /nfs/dbraw/zinc/39/15/34/387391534.db2.gz GDBJUONHWQHHGB-MNOVXSKESA-N 1 2 244.313 3.609 20 0 BHADLO C[C@H]1CCN(c2[nH+]ccc3ccc(F)cc32)[C@H]1C ZINC000354535760 177172690 /nfs/dbraw/zinc/17/26/90/177172690.db2.gz GDBJUONHWQHHGB-QWRGUYRKSA-N 1 2 244.313 3.609 20 0 BHADLO C[C@@H]1[C@@H](C)CCN1c1[nH+]ccc2ccc(F)cc21 ZINC000354535761 177172581 /nfs/dbraw/zinc/17/25/81/177172581.db2.gz GDBJUONHWQHHGB-WDEREUQCSA-N 1 2 244.313 3.609 20 0 BHADLO CC1(CNc2[nH+]ccc3ccc(F)cc32)CC1 ZINC000354541178 168050234 /nfs/dbraw/zinc/05/02/34/168050234.db2.gz OZERHGWVGJLLCI-UHFFFAOYSA-N 1 2 230.286 3.586 20 0 BHADLO CC[C@@H]1CCN(c2[nH+]ccc3ccc(F)cc32)C1 ZINC000354549905 171015802 /nfs/dbraw/zinc/01/58/02/171015802.db2.gz XOYBDUPCWMHPTO-LLVKDONJSA-N 1 2 244.313 3.610 20 0 BHADLO CC[C@H]1CCN(c2[nH+]ccc3ccc(F)cc32)C1 ZINC000354549907 387393905 /nfs/dbraw/zinc/39/39/05/387393905.db2.gz XOYBDUPCWMHPTO-NSHDSACASA-N 1 2 244.313 3.610 20 0 BHADLO Fc1ccc2cc[nH+]c(NCC3CCC3)c2c1 ZINC000354556295 387393466 /nfs/dbraw/zinc/39/34/66/387393466.db2.gz CEQNFVBVFYQQSS-UHFFFAOYSA-N 1 2 230.286 3.586 20 0 BHADLO CC1(C)C[C@H]1Nc1[nH+]ccc2ccc(F)cc21 ZINC000354557763 187210720 /nfs/dbraw/zinc/21/07/20/187210720.db2.gz BHRSXAPCOGJNLK-GFCCVEGCSA-N 1 2 230.286 3.584 20 0 BHADLO CC1(C)C[C@@H]1Nc1[nH+]ccc2ccc(F)cc21 ZINC000354557764 356740793 /nfs/dbraw/zinc/74/07/93/356740793.db2.gz BHRSXAPCOGJNLK-LBPRGKRZSA-N 1 2 230.286 3.584 20 0 BHADLO CC(C)(C)CNc1[nH+]ccc2ccc(F)cc21 ZINC000354560474 387396395 /nfs/dbraw/zinc/39/63/95/387396395.db2.gz MUZZCRXIVJTABJ-UHFFFAOYSA-N 1 2 232.302 3.832 20 0 BHADLO C[C@@H]1CCCCN1c1[nH+]ccc2ccc(F)cc21 ZINC000354574352 132269748 /nfs/dbraw/zinc/26/97/48/132269748.db2.gz VUSMJPHZWARUCS-LLVKDONJSA-N 1 2 244.313 3.753 20 0 BHADLO C[C@H]1CCCCN1c1[nH+]ccc2ccc(F)cc21 ZINC000354574353 385681379 /nfs/dbraw/zinc/68/13/79/385681379.db2.gz VUSMJPHZWARUCS-NSHDSACASA-N 1 2 244.313 3.753 20 0 BHADLO C[C@@H](Nc1[nH+]ccc2ccc(F)cc21)C1CC1 ZINC000354574927 387397574 /nfs/dbraw/zinc/39/75/74/387397574.db2.gz WNWSQYRVEIUHCT-SECBINFHSA-N 1 2 230.286 3.584 20 0 BHADLO C[C@H](Nc1[nH+]ccc2ccc(F)cc21)C1CC1 ZINC000354574932 176939449 /nfs/dbraw/zinc/93/94/49/176939449.db2.gz WNWSQYRVEIUHCT-VIFPVBQESA-N 1 2 230.286 3.584 20 0 BHADLO Fc1ccc2cc[nH+]c(NCc3ccoc3)c2c1 ZINC000354584442 387400178 /nfs/dbraw/zinc/40/01/78/387400178.db2.gz VLNQLFRSJGCBHJ-UHFFFAOYSA-N 1 2 242.253 3.579 20 0 BHADLO CC1=CCN(c2[nH+]ccc3ccc(F)cc32)CC1 ZINC000354851195 132270096 /nfs/dbraw/zinc/27/00/96/132270096.db2.gz PRKCFSVGCONTBR-UHFFFAOYSA-N 1 2 242.297 3.530 20 0 BHADLO C[C@@H]1CC[C@@H](C)N1c1[nH+]ccc2ccc(F)cc21 ZINC000354884523 176200054 /nfs/dbraw/zinc/20/00/54/176200054.db2.gz WLDWQLVHTYWYHI-GHMZBOCLSA-N 1 2 244.313 3.751 20 0 BHADLO C[C@@H]1CC[C@H](C)N1c1[nH+]ccc2ccc(F)cc21 ZINC000354884537 177187690 /nfs/dbraw/zinc/18/76/90/177187690.db2.gz WLDWQLVHTYWYHI-PHIMTYICSA-N 1 2 244.313 3.751 20 0 BHADLO C[C@H]1CC[C@H](C)N1c1[nH+]ccc2ccc(F)cc21 ZINC000354885251 177199983 /nfs/dbraw/zinc/19/99/83/177199983.db2.gz WLDWQLVHTYWYHI-QWRGUYRKSA-N 1 2 244.313 3.751 20 0 BHADLO CN(CCC1CC1)c1[nH+]ccc2ccc(F)cc21 ZINC000354890261 387442518 /nfs/dbraw/zinc/44/25/18/387442518.db2.gz SKRWPMSZHPEAJJ-UHFFFAOYSA-N 1 2 244.313 3.610 20 0 BHADLO FC(F)C[N@H+](Cc1ccsc1)CC1CCC1 ZINC000355106361 387481477 /nfs/dbraw/zinc/48/14/77/387481477.db2.gz MZPSDWPGEAMLEX-UHFFFAOYSA-N 1 2 245.338 3.615 20 0 BHADLO FC(F)C[N@@H+](Cc1ccsc1)CC1CCC1 ZINC000355106361 387481474 /nfs/dbraw/zinc/48/14/74/387481474.db2.gz MZPSDWPGEAMLEX-UHFFFAOYSA-N 1 2 245.338 3.615 20 0 BHADLO FC(F)C[N@H+](Cc1cccs1)CC1CCC1 ZINC000355141305 387487002 /nfs/dbraw/zinc/48/70/02/387487002.db2.gz XQBZSJRXYGPRCE-UHFFFAOYSA-N 1 2 245.338 3.615 20 0 BHADLO FC(F)C[N@@H+](Cc1cccs1)CC1CCC1 ZINC000355141305 387486998 /nfs/dbraw/zinc/48/69/98/387486998.db2.gz XQBZSJRXYGPRCE-UHFFFAOYSA-N 1 2 245.338 3.615 20 0 BHADLO C[C@H](O)CCC[N@H+]1CCC[C@H](C)c2ccccc21 ZINC000355277301 387512299 /nfs/dbraw/zinc/51/22/99/387512299.db2.gz NWWUCSXRDWOEKK-KBPBESRZSA-N 1 2 247.382 3.551 20 0 BHADLO C[C@H](O)CCC[N@@H+]1CCC[C@H](C)c2ccccc21 ZINC000355277301 387512296 /nfs/dbraw/zinc/51/22/96/387512296.db2.gz NWWUCSXRDWOEKK-KBPBESRZSA-N 1 2 247.382 3.551 20 0 BHADLO C[C@H](O)CCC[N@H+]1CCC[C@@H](C)c2ccccc21 ZINC000355277302 387512475 /nfs/dbraw/zinc/51/24/75/387512475.db2.gz NWWUCSXRDWOEKK-KGLIPLIRSA-N 1 2 247.382 3.551 20 0 BHADLO C[C@H](O)CCC[N@@H+]1CCC[C@@H](C)c2ccccc21 ZINC000355277302 387512471 /nfs/dbraw/zinc/51/24/71/387512471.db2.gz NWWUCSXRDWOEKK-KGLIPLIRSA-N 1 2 247.382 3.551 20 0 BHADLO C[C@@H](O)CCC[N@H+]1CCC[C@H](C)c2ccccc21 ZINC000355277304 177097506 /nfs/dbraw/zinc/09/75/06/177097506.db2.gz NWWUCSXRDWOEKK-UONOGXRCSA-N 1 2 247.382 3.551 20 0 BHADLO C[C@@H](O)CCC[N@@H+]1CCC[C@H](C)c2ccccc21 ZINC000355277304 177097504 /nfs/dbraw/zinc/09/75/04/177097504.db2.gz NWWUCSXRDWOEKK-UONOGXRCSA-N 1 2 247.382 3.551 20 0 BHADLO C[C@@H](O)CCC[N@H+]1CCC[C@@H](C)c2ccccc21 ZINC000355277305 387512636 /nfs/dbraw/zinc/51/26/36/387512636.db2.gz NWWUCSXRDWOEKK-ZIAGYGMSSA-N 1 2 247.382 3.551 20 0 BHADLO C[C@@H](O)CCC[N@@H+]1CCC[C@@H](C)c2ccccc21 ZINC000355277305 387512634 /nfs/dbraw/zinc/51/26/34/387512634.db2.gz NWWUCSXRDWOEKK-ZIAGYGMSSA-N 1 2 247.382 3.551 20 0 BHADLO c1ccc2c(c1)cccc2COc1cc[nH+]cc1 ZINC000356101929 387616670 /nfs/dbraw/zinc/61/66/70/387616670.db2.gz VVHFZBGDGDUOJD-UHFFFAOYSA-N 1 2 235.286 3.814 20 0 BHADLO CCC[C@](C)(CC)C(=O)Nc1ccc(C)[nH+]c1C ZINC000356367811 411377669 /nfs/dbraw/zinc/37/76/69/411377669.db2.gz XHXZWHPXWYQCLB-HNNXBMFYSA-N 1 2 248.370 3.853 20 0 BHADLO CCC[C@@](C)(CC)C(=O)Nc1ccc(C)[nH+]c1C ZINC000356367815 411377797 /nfs/dbraw/zinc/37/77/97/411377797.db2.gz XHXZWHPXWYQCLB-OAHLLOKOSA-N 1 2 248.370 3.853 20 0 BHADLO CCc1c[nH+]ccc1[C@@H](C)[C@@H]1CCCOCC1 ZINC000356675398 356801788 /nfs/dbraw/zinc/80/17/88/356801788.db2.gz KQTJYMGUDJNXNP-GXTWGEPZSA-N 1 2 233.355 3.564 20 0 BHADLO CCc1c[nH+]ccc1[C@@H](C)[C@H]1CCCOCC1 ZINC000356675400 356801738 /nfs/dbraw/zinc/80/17/38/356801738.db2.gz KQTJYMGUDJNXNP-JSGCOSHPSA-N 1 2 233.355 3.564 20 0 BHADLO CCc1c[nH+]ccc1[C@H](C)[C@H]1CCCOCC1 ZINC000356675402 356801682 /nfs/dbraw/zinc/80/16/82/356801682.db2.gz KQTJYMGUDJNXNP-OCCSQVGLSA-N 1 2 233.355 3.564 20 0 BHADLO CCc1c[nH+]ccc1[C@H](C)[C@@H]1CCCOCC1 ZINC000356675405 342879769 /nfs/dbraw/zinc/87/97/69/342879769.db2.gz KQTJYMGUDJNXNP-TZMCWYRMSA-N 1 2 233.355 3.564 20 0 BHADLO Cc1cc(N(C)[C@H](C)C2CCC2)nc(C(C)C)[nH+]1 ZINC000356793232 178100146 /nfs/dbraw/zinc/10/01/46/178100146.db2.gz LDLMIYGLGFETOQ-GFCCVEGCSA-N 1 2 247.386 3.533 20 0 BHADLO Cc1cc(N(C)[C@@H](C)C2CCC2)nc(C(C)C)[nH+]1 ZINC000356793233 178100192 /nfs/dbraw/zinc/10/01/92/178100192.db2.gz LDLMIYGLGFETOQ-LBPRGKRZSA-N 1 2 247.386 3.533 20 0 BHADLO CCc1cccnc1[C@@H](C)Nc1ccc(C)[nH+]c1 ZINC000356909735 387744390 /nfs/dbraw/zinc/74/43/90/387744390.db2.gz YQIZNVJLEITWPJ-GFCCVEGCSA-N 1 2 241.338 3.521 20 0 BHADLO CCc1cccnc1[C@H](C)Nc1ccc(C)[nH+]c1 ZINC000356909737 356809326 /nfs/dbraw/zinc/80/93/26/356809326.db2.gz YQIZNVJLEITWPJ-LBPRGKRZSA-N 1 2 241.338 3.521 20 0 BHADLO CCCCSCc1ccc(-n2cc[nH+]c2)cc1 ZINC000357030249 356812584 /nfs/dbraw/zinc/81/25/84/356812584.db2.gz UNXGLMWGYDGUHZ-UHFFFAOYSA-N 1 2 246.379 3.906 20 0 BHADLO CC(C)CSCc1ccc(-n2cc[nH+]c2)cc1 ZINC000357033783 386697504 /nfs/dbraw/zinc/69/75/04/386697504.db2.gz GSFPGQFCLAIQSE-UHFFFAOYSA-N 1 2 246.379 3.762 20 0 BHADLO C/C=C\CSCc1ccc(-n2cc[nH+]c2)cc1 ZINC000357037553 187213866 /nfs/dbraw/zinc/21/38/66/187213866.db2.gz MJRNESNDWRTNTN-IHWYPQMZSA-N 1 2 244.363 3.682 20 0 BHADLO C/C=C/CSCc1ccc(-n2cc[nH+]c2)cc1 ZINC000357037554 386696164 /nfs/dbraw/zinc/69/61/64/386696164.db2.gz MJRNESNDWRTNTN-NSCUHMNNSA-N 1 2 244.363 3.682 20 0 BHADLO CCC[C@@H](CC)SCCCn1cc[nH+]c1 ZINC000357097988 169381101 /nfs/dbraw/zinc/38/11/01/169381101.db2.gz RKNMAEQVSZJONW-GFCCVEGCSA-N 1 2 226.389 3.585 20 0 BHADLO CCC[C@H](CC)SCCCn1cc[nH+]c1 ZINC000357097989 386718735 /nfs/dbraw/zinc/71/87/35/386718735.db2.gz RKNMAEQVSZJONW-LBPRGKRZSA-N 1 2 226.389 3.585 20 0 BHADLO CCCOc1cccc(C[N@H+]2CCC=C(F)C2)c1 ZINC000357236917 169324770 /nfs/dbraw/zinc/32/47/70/169324770.db2.gz MUHWNZSVPDQXTQ-UHFFFAOYSA-N 1 2 249.329 3.535 20 0 BHADLO CCCOc1cccc(C[N@@H+]2CCC=C(F)C2)c1 ZINC000357236917 169324769 /nfs/dbraw/zinc/32/47/69/169324769.db2.gz MUHWNZSVPDQXTQ-UHFFFAOYSA-N 1 2 249.329 3.535 20 0 BHADLO CC[C@@H]1CC[C@@H](C)N1c1cc(C)[nH+]c(C(C)C)n1 ZINC000357291744 171038950 /nfs/dbraw/zinc/03/89/50/171038950.db2.gz RPIJPJMRSNISCF-CHWSQXEVSA-N 1 2 247.386 3.676 20 0 BHADLO CC[C@H]1CC[C@@H](C)N1c1cc(C)[nH+]c(C(C)C)n1 ZINC000357291746 386754840 /nfs/dbraw/zinc/75/48/40/386754840.db2.gz RPIJPJMRSNISCF-OLZOCXBDSA-N 1 2 247.386 3.676 20 0 BHADLO CC[C@@H]1CC[C@H](C)N1c1cc(C)[nH+]c(C(C)C)n1 ZINC000357291748 171053631 /nfs/dbraw/zinc/05/36/31/171053631.db2.gz RPIJPJMRSNISCF-QWHCGFSZSA-N 1 2 247.386 3.676 20 0 BHADLO CC[C@H]1CC[C@H](C)N1c1cc(C)[nH+]c(C(C)C)n1 ZINC000357291749 386753827 /nfs/dbraw/zinc/75/38/27/386753827.db2.gz RPIJPJMRSNISCF-STQMWFEESA-N 1 2 247.386 3.676 20 0 BHADLO CC[C@@H](C)CN(CC)c1cc[nH+]c2ccncc21 ZINC000357506430 386795628 /nfs/dbraw/zinc/79/56/28/386795628.db2.gz UTYJUXDCVYJQMY-GFCCVEGCSA-N 1 2 243.354 3.502 20 0 BHADLO CC[C@H](C)CN(CC)c1cc[nH+]c2ccncc21 ZINC000357506432 171278993 /nfs/dbraw/zinc/27/89/93/171278993.db2.gz UTYJUXDCVYJQMY-LBPRGKRZSA-N 1 2 243.354 3.502 20 0 BHADLO CCCN(CC)c1[nH+]ccc2ccc(F)cc21 ZINC000357537350 169133383 /nfs/dbraw/zinc/13/33/83/169133383.db2.gz PSOIHHZKOCXEPY-UHFFFAOYSA-N 1 2 232.302 3.610 20 0 BHADLO c1cc2cc(CNc3cccc[nH+]3)ccc2s1 ZINC000357605559 386812390 /nfs/dbraw/zinc/81/23/90/386812390.db2.gz XQCGQAPZNXNAJG-UHFFFAOYSA-N 1 2 240.331 3.908 20 0 BHADLO CCCC[C@@H](C)N(C)c1cc[nH+]c2ccncc21 ZINC000357801270 356847032 /nfs/dbraw/zinc/84/70/32/356847032.db2.gz JCSOGVVSVWBZDF-GFCCVEGCSA-N 1 2 243.354 3.645 20 0 BHADLO CCCC[C@H](C)N(C)c1cc[nH+]c2ccncc21 ZINC000357801280 356847067 /nfs/dbraw/zinc/84/70/67/356847067.db2.gz JCSOGVVSVWBZDF-LBPRGKRZSA-N 1 2 243.354 3.645 20 0 BHADLO CCCC[C@@H](C)N(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC000357830019 356848746 /nfs/dbraw/zinc/84/87/46/356848746.db2.gz TZJIXUAWYSVRJM-GFCCVEGCSA-N 1 2 247.386 3.677 20 0 BHADLO CCCC[C@H](C)N(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC000357830022 356848240 /nfs/dbraw/zinc/84/82/40/356848240.db2.gz TZJIXUAWYSVRJM-LBPRGKRZSA-N 1 2 247.386 3.677 20 0 BHADLO Cc1ccc(CNc2c(C)cccc2F)c(C)[nH+]1 ZINC000358210470 386914063 /nfs/dbraw/zinc/91/40/63/386914063.db2.gz LOOLYQXOACZEFL-UHFFFAOYSA-N 1 2 244.313 3.758 20 0 BHADLO Cc1ccc(CNc2cccc(F)c2F)c(C)[nH+]1 ZINC000358226527 386915542 /nfs/dbraw/zinc/91/55/42/386915542.db2.gz QMPJHAAODUPHFI-UHFFFAOYSA-N 1 2 248.276 3.589 20 0 BHADLO Cc1ccc(CSCCC(F)(F)F)c(C)[nH+]1 ZINC000358546735 187379455 /nfs/dbraw/zinc/37/94/55/187379455.db2.gz OXUGOJPXEOIRNQ-UHFFFAOYSA-N 1 2 249.301 3.884 20 0 BHADLO Cc1ccc(COc2ccc(F)cc2C)c(C)[nH+]1 ZINC000358583075 187215765 /nfs/dbraw/zinc/21/57/65/187215765.db2.gz CRLHRXYIAZGPSW-UHFFFAOYSA-N 1 2 245.297 3.725 20 0 BHADLO CC[C@H](C)CSCc1ccc(C)[nH+]c1C ZINC000358642625 171293874 /nfs/dbraw/zinc/29/38/74/171293874.db2.gz AGTOSZJVBDRXIQ-JTQLQIEISA-N 1 2 223.385 3.978 20 0 BHADLO CC[C@@H](C)CSCc1ccc(C)[nH+]c1C ZINC000358642626 386992253 /nfs/dbraw/zinc/99/22/53/386992253.db2.gz AGTOSZJVBDRXIQ-SNVBAGLBSA-N 1 2 223.385 3.978 20 0 BHADLO Cc1ccc(CSCCC(C)C)c(C)[nH+]1 ZINC000358645808 188240876 /nfs/dbraw/zinc/24/08/76/188240876.db2.gz CMKWRAJHWFQXAV-UHFFFAOYSA-N 1 2 223.385 3.978 20 0 BHADLO C/C=C\CSCc1ccc(C)[nH+]c1C ZINC000358651508 386991695 /nfs/dbraw/zinc/99/16/95/386991695.db2.gz NDPOHBQGCTWDQO-PLNGDYQASA-N 1 2 207.342 3.508 20 0 BHADLO Cc1cccc2[nH+]c(CSCCC3CC3)cn21 ZINC000358651641 179230133 /nfs/dbraw/zinc/23/01/33/179230133.db2.gz CTSVGNQAUQQZIK-UHFFFAOYSA-N 1 2 246.379 3.676 20 0 BHADLO CSCCCSCc1ccc(C)[nH+]c1C ZINC000358663799 384059190 /nfs/dbraw/zinc/05/91/90/384059190.db2.gz RLXHHUFWPKIAID-UHFFFAOYSA-N 1 2 241.425 3.685 20 0 BHADLO Cc1ccc(CSCCC2CC2)c(C)[nH+]1 ZINC000358665097 187379227 /nfs/dbraw/zinc/37/92/27/187379227.db2.gz UZTBOJSQOXYHDC-UHFFFAOYSA-N 1 2 221.369 3.732 20 0 BHADLO Cc1ccc(CSCC2CCC2)c(C)[nH+]1 ZINC000358665238 188067913 /nfs/dbraw/zinc/06/79/13/188067913.db2.gz WCPBPRVHPCVBEV-UHFFFAOYSA-N 1 2 221.369 3.732 20 0 BHADLO Cc1ccc(COc2cccc(Cl)c2)c(C)[nH+]1 ZINC000358682444 384075043 /nfs/dbraw/zinc/07/50/43/384075043.db2.gz CVVZIBWXOACWPI-UHFFFAOYSA-N 1 2 247.725 3.931 20 0 BHADLO Cc1ccc(COc2ccc(F)c(C)c2)c(C)[nH+]1 ZINC000358686874 386997527 /nfs/dbraw/zinc/99/75/27/386997527.db2.gz PVMNMKMPBNWLGL-UHFFFAOYSA-N 1 2 245.297 3.725 20 0 BHADLO Cc1ccccc1C1CC(Nc2cccc[nH+]2)C1 ZINC000358690795 179256743 /nfs/dbraw/zinc/25/67/43/179256743.db2.gz WRSMLWKNCKUWOR-UHFFFAOYSA-N 1 2 238.334 3.748 20 0 BHADLO Cc1ccc(COc2ccc(Cl)cc2)c(C)[nH+]1 ZINC000358694319 187379214 /nfs/dbraw/zinc/37/92/14/187379214.db2.gz RJBICJXXSUMWLI-UHFFFAOYSA-N 1 2 247.725 3.931 20 0 BHADLO Cc1ccc(CS[C@H](C)C(C)C)c(C)[nH+]1 ZINC000358782980 178645213 /nfs/dbraw/zinc/64/52/13/178645213.db2.gz DBEQISLJIPSNHC-GFCCVEGCSA-N 1 2 223.385 3.976 20 0 BHADLO Cc1ccc(CS[C@@H](C)C(C)C)c(C)[nH+]1 ZINC000358782984 387011825 /nfs/dbraw/zinc/01/18/25/387011825.db2.gz DBEQISLJIPSNHC-LBPRGKRZSA-N 1 2 223.385 3.976 20 0 BHADLO COc1cc(C)[nH+]c(CSc2ccoc2C)c1 ZINC000358818447 387017647 /nfs/dbraw/zinc/01/76/47/387017647.db2.gz VCJBBSNAONLXPH-UHFFFAOYSA-N 1 2 249.335 3.592 20 0 BHADLO Cc1cc(-n2cc[nH+]c2)ccc1CSC(C)C ZINC000359034962 387046812 /nfs/dbraw/zinc/04/68/12/387046812.db2.gz KLOQHRYVZFQKCT-UHFFFAOYSA-N 1 2 246.379 3.822 20 0 BHADLO CCCSCc1ccc(-n2cc[nH+]c2)cc1C ZINC000359068581 169339698 /nfs/dbraw/zinc/33/96/98/169339698.db2.gz LQSTXLQGLVHGBT-UHFFFAOYSA-N 1 2 246.379 3.824 20 0 BHADLO Cc1[nH]c2cc(CSCC3CC3)ccc2[nH+]1 ZINC000359156810 180091358 /nfs/dbraw/zinc/09/13/58/180091358.db2.gz MECMHDULXFEWID-UHFFFAOYSA-N 1 2 232.352 3.515 20 0 BHADLO Cc1[nH]c2ccc(CSCC3CC3)cc2[nH+]1 ZINC000359156810 180091354 /nfs/dbraw/zinc/09/13/54/180091354.db2.gz MECMHDULXFEWID-UHFFFAOYSA-N 1 2 232.352 3.515 20 0 BHADLO CSCCCCCn1c(C)[nH+]c2ccccc21 ZINC000359171373 387062534 /nfs/dbraw/zinc/06/25/34/387062534.db2.gz DPUCKHDUPPXHMG-UHFFFAOYSA-N 1 2 248.395 3.878 20 0 BHADLO CCc1cccc(F)c1CNc1c[nH+]ccc1C ZINC000359293410 387081659 /nfs/dbraw/zinc/08/16/59/387081659.db2.gz VAWIKQXTQJBSDQ-UHFFFAOYSA-N 1 2 244.313 3.704 20 0 BHADLO c1csc(CNc2c[nH+]c3c(c2)CCCC3)c1 ZINC000359823253 387169942 /nfs/dbraw/zinc/16/99/42/387169942.db2.gz VEJQCGDFYRFIQG-UHFFFAOYSA-N 1 2 244.363 3.634 20 0 BHADLO c1cc(CNc2c[nH+]c3c(c2)CCCC3)cs1 ZINC000359824066 183355330 /nfs/dbraw/zinc/35/53/30/183355330.db2.gz XYDRXVJFXIPIKN-UHFFFAOYSA-N 1 2 244.363 3.634 20 0 BHADLO FC(F)C[N@@H+](CCC1CC1)Cc1ccccc1 ZINC000359870226 387182723 /nfs/dbraw/zinc/18/27/23/387182723.db2.gz DYCLXXVNYFWPGB-UHFFFAOYSA-N 1 2 239.309 3.554 20 0 BHADLO FC(F)C[N@H+](CCC1CC1)Cc1ccccc1 ZINC000359870226 387182718 /nfs/dbraw/zinc/18/27/18/387182718.db2.gz DYCLXXVNYFWPGB-UHFFFAOYSA-N 1 2 239.309 3.554 20 0 BHADLO CCN(Cc1ccc(C)[nH+]c1C)c1ccccc1 ZINC000359914932 356898549 /nfs/dbraw/zinc/89/85/49/356898549.db2.gz ZYFMRFFJKUDPDW-UHFFFAOYSA-N 1 2 240.350 3.725 20 0 BHADLO Cc1cccc(N(C)Cc2ccc(C)[nH+]c2C)c1 ZINC000360063601 179118070 /nfs/dbraw/zinc/11/80/70/179118070.db2.gz MNTWTBYAOMPWHV-UHFFFAOYSA-N 1 2 240.350 3.643 20 0 BHADLO Cc1nc(N[C@H](c2ccccc2)C(C)C)cc[nH+]1 ZINC000360225079 180205407 /nfs/dbraw/zinc/20/54/07/180205407.db2.gz NDHRGICMUWQWSZ-HNNXBMFYSA-N 1 2 241.338 3.594 20 0 BHADLO Cc1nc(N[C@@H](c2ccccc2)C(C)C)cc[nH+]1 ZINC000360225080 180202778 /nfs/dbraw/zinc/20/27/78/180202778.db2.gz NDHRGICMUWQWSZ-OAHLLOKOSA-N 1 2 241.338 3.594 20 0 BHADLO CCCN(CC1CCCCC1)c1cc[nH+]c(C)n1 ZINC000360520194 169138545 /nfs/dbraw/zinc/13/85/45/169138545.db2.gz GOZILQWQOXOIMB-UHFFFAOYSA-N 1 2 247.386 3.582 20 0 BHADLO CC(C)c1ccc(SCc2c[nH+]cn2C)cc1 ZINC000360724292 387342485 /nfs/dbraw/zinc/34/24/85/387342485.db2.gz AIGWMKNVEHFGQA-UHFFFAOYSA-N 1 2 246.379 3.836 20 0 BHADLO Cc1[nH+]cccc1NC[C@H](C)Cc1ccccc1 ZINC000360894769 180227096 /nfs/dbraw/zinc/22/70/96/180227096.db2.gz QSOUBSICMWLVCT-CYBMUJFWSA-N 1 2 240.350 3.681 20 0 BHADLO Cc1[nH+]cccc1NC[C@@H](C)Cc1ccccc1 ZINC000360894770 180225712 /nfs/dbraw/zinc/22/57/12/180225712.db2.gz QSOUBSICMWLVCT-ZDUSSCGKSA-N 1 2 240.350 3.681 20 0 BHADLO CC(C)[N@@H+](CCCc1ccsc1)CC(F)F ZINC000360969795 187381809 /nfs/dbraw/zinc/38/18/09/187381809.db2.gz KCWKOLHFEGJGJD-UHFFFAOYSA-N 1 2 247.354 3.656 20 0 BHADLO CC(C)[N@H+](CCCc1ccsc1)CC(F)F ZINC000360969795 187381807 /nfs/dbraw/zinc/38/18/07/187381807.db2.gz KCWKOLHFEGJGJD-UHFFFAOYSA-N 1 2 247.354 3.656 20 0 BHADLO Cc1cccc2[nH+]c(CSCC3CCC3)cn21 ZINC000360978696 179229081 /nfs/dbraw/zinc/22/90/81/179229081.db2.gz KOEBOZLXGJHDOO-UHFFFAOYSA-N 1 2 246.379 3.676 20 0 BHADLO Cc1nc(N[C@H]2CCC[C@H]2CCC(C)C)cc[nH+]1 ZINC000360985756 180205173 /nfs/dbraw/zinc/20/51/73/180205173.db2.gz IXUUNVXWIZTURC-KBPBESRZSA-N 1 2 247.386 3.802 20 0 BHADLO Cc1nc(N[C@H]2CCC[C@@H]2CCC(C)C)cc[nH+]1 ZINC000360985759 180205868 /nfs/dbraw/zinc/20/58/68/180205868.db2.gz IXUUNVXWIZTURC-KGLIPLIRSA-N 1 2 247.386 3.802 20 0 BHADLO Cc1nc(N[C@@H]2CCC[C@H]2CCC(C)C)cc[nH+]1 ZINC000360985761 180203760 /nfs/dbraw/zinc/20/37/60/180203760.db2.gz IXUUNVXWIZTURC-UONOGXRCSA-N 1 2 247.386 3.802 20 0 BHADLO Cc1nc(N[C@@H]2CCC[C@@H]2CCC(C)C)cc[nH+]1 ZINC000360985762 180202793 /nfs/dbraw/zinc/20/27/93/180202793.db2.gz IXUUNVXWIZTURC-ZIAGYGMSSA-N 1 2 247.386 3.802 20 0 BHADLO CCCC[C@@H]1CCC[C@H]1Nc1cc[nH+]c(C)n1 ZINC000360988639 356914070 /nfs/dbraw/zinc/91/40/70/356914070.db2.gz ZYGPSSALUWEULK-CHWSQXEVSA-N 1 2 233.359 3.556 20 0 BHADLO CCCC[C@@H]1CCC[C@@H]1Nc1cc[nH+]c(C)n1 ZINC000360988640 356914259 /nfs/dbraw/zinc/91/42/59/356914259.db2.gz ZYGPSSALUWEULK-OLZOCXBDSA-N 1 2 233.359 3.556 20 0 BHADLO CCCC[C@H]1CCC[C@H]1Nc1cc[nH+]c(C)n1 ZINC000360988641 169014010 /nfs/dbraw/zinc/01/40/10/169014010.db2.gz ZYGPSSALUWEULK-QWHCGFSZSA-N 1 2 233.359 3.556 20 0 BHADLO CCCC[C@H]1CCC[C@@H]1Nc1cc[nH+]c(C)n1 ZINC000360988642 169014055 /nfs/dbraw/zinc/01/40/55/169014055.db2.gz ZYGPSSALUWEULK-STQMWFEESA-N 1 2 233.359 3.556 20 0 BHADLO Cc1nc(NC(CC(C)C)CC(C)C)cc[nH+]1 ZINC000361017671 180197695 /nfs/dbraw/zinc/19/76/95/180197695.db2.gz OGVOFGLSQACWDZ-UHFFFAOYSA-N 1 2 235.375 3.658 20 0 BHADLO CC(C)c1nc(N2C[C@H](C)CCC[C@H]2C)cc[nH+]1 ZINC000361100177 387401923 /nfs/dbraw/zinc/40/19/23/387401923.db2.gz XUMKAEORDHJNQQ-CHWSQXEVSA-N 1 2 247.386 3.615 20 0 BHADLO CC(C)c1nc(N2C[C@H](C)CCC[C@@H]2C)cc[nH+]1 ZINC000361100178 387400570 /nfs/dbraw/zinc/40/05/70/387400570.db2.gz XUMKAEORDHJNQQ-OLZOCXBDSA-N 1 2 247.386 3.615 20 0 BHADLO CC(C)c1nc(N2C[C@@H](C)CCC[C@H]2C)cc[nH+]1 ZINC000361100179 387401004 /nfs/dbraw/zinc/40/10/04/387401004.db2.gz XUMKAEORDHJNQQ-QWHCGFSZSA-N 1 2 247.386 3.615 20 0 BHADLO CC(C)c1nc(N2C[C@@H](C)CCC[C@@H]2C)cc[nH+]1 ZINC000361100180 387400275 /nfs/dbraw/zinc/40/02/75/387400275.db2.gz XUMKAEORDHJNQQ-STQMWFEESA-N 1 2 247.386 3.615 20 0 BHADLO Cc1ccc2c(c1)C[N@H+](Cc1ccc(Cl)o1)C2 ZINC000361109903 387400440 /nfs/dbraw/zinc/40/04/40/387400440.db2.gz GCGRDBQWUYVYDB-UHFFFAOYSA-N 1 2 247.725 3.757 20 0 BHADLO Cc1ccc2c(c1)C[N@@H+](Cc1ccc(Cl)o1)C2 ZINC000361109903 387400437 /nfs/dbraw/zinc/40/04/37/387400437.db2.gz GCGRDBQWUYVYDB-UHFFFAOYSA-N 1 2 247.725 3.757 20 0 BHADLO CC(C)c1nc(N2CCCC(C)(C)CC2)cc[nH+]1 ZINC000361112320 384215205 /nfs/dbraw/zinc/21/52/05/384215205.db2.gz UJTAPHCNEILNKT-UHFFFAOYSA-N 1 2 247.386 3.617 20 0 BHADLO Cc1ccc2c(c1)C[N@H+](Cc1ccccc1F)C2 ZINC000361113410 387404268 /nfs/dbraw/zinc/40/42/68/387404268.db2.gz LUGBMVXOLJJWOR-UHFFFAOYSA-N 1 2 241.309 3.650 20 0 BHADLO Cc1ccc2c(c1)C[N@@H+](Cc1ccccc1F)C2 ZINC000361113410 387404265 /nfs/dbraw/zinc/40/42/65/387404265.db2.gz LUGBMVXOLJJWOR-UHFFFAOYSA-N 1 2 241.309 3.650 20 0 BHADLO CC[C@H](Nc1cc[nH+]c(C)n1)c1ccc(C)cc1 ZINC000361137618 387403772 /nfs/dbraw/zinc/40/37/72/387403772.db2.gz ZOCVQULLCISGSD-AWEZNQCLSA-N 1 2 241.338 3.657 20 0 BHADLO CC[C@@H](Nc1cc[nH+]c(C)n1)c1ccc(C)cc1 ZINC000361137619 356918376 /nfs/dbraw/zinc/91/83/76/356918376.db2.gz ZOCVQULLCISGSD-CQSZACIVSA-N 1 2 241.338 3.657 20 0 BHADLO Cc1nc(N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cc[nH+]1 ZINC000361159489 180204592 /nfs/dbraw/zinc/20/45/92/180204592.db2.gz MGKOPKPPWMRXKB-BFHYXJOUSA-N 1 2 245.370 3.556 20 0 BHADLO Cc1nc(N[C@@H]2CC[C@H]3CCCC[C@H]3C2)cc[nH+]1 ZINC000361159490 180206020 /nfs/dbraw/zinc/20/60/20/180206020.db2.gz MGKOPKPPWMRXKB-HZSPNIEDSA-N 1 2 245.370 3.556 20 0 BHADLO Cc1nc(N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)cc[nH+]1 ZINC000361159491 180206338 /nfs/dbraw/zinc/20/63/38/180206338.db2.gz MGKOPKPPWMRXKB-MELADBBJSA-N 1 2 245.370 3.556 20 0 BHADLO Cc1nc(N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)cc[nH+]1 ZINC000361159492 180206068 /nfs/dbraw/zinc/20/60/68/180206068.db2.gz MGKOPKPPWMRXKB-MGPQQGTHSA-N 1 2 245.370 3.556 20 0 BHADLO CCC[C@H](Nc1cc[nH+]c(C)n1)c1ccccc1 ZINC000361160312 387408507 /nfs/dbraw/zinc/40/85/07/387408507.db2.gz WNHOJIDZJCFHEA-AWEZNQCLSA-N 1 2 241.338 3.738 20 0 BHADLO CCC[C@@H](Nc1cc[nH+]c(C)n1)c1ccccc1 ZINC000361160313 387408475 /nfs/dbraw/zinc/40/84/75/387408475.db2.gz WNHOJIDZJCFHEA-CQSZACIVSA-N 1 2 241.338 3.738 20 0 BHADLO CC[C@@]1(C)CCCN(c2cc[nH+]c(C(C)C)n2)C1 ZINC000361188513 536039548 /nfs/dbraw/zinc/03/95/48/536039548.db2.gz STIHOFHFYIGOJX-HNNXBMFYSA-N 1 2 247.386 3.617 20 0 BHADLO CC[C@]1(C)CCCN(c2cc[nH+]c(C(C)C)n2)C1 ZINC000361188514 132279851 /nfs/dbraw/zinc/27/98/51/132279851.db2.gz STIHOFHFYIGOJX-OAHLLOKOSA-N 1 2 247.386 3.617 20 0 BHADLO Cc1[nH+]cn(-c2ccc(NCC(C)C)cc2)c1C ZINC000361239417 180284848 /nfs/dbraw/zinc/28/48/48/180284848.db2.gz ZOYVCHNYVVHULY-UHFFFAOYSA-N 1 2 243.354 3.557 20 0 BHADLO C[C@H]1C[C@H](c2ccsc2)CN1c1cccc[nH+]1 ZINC000361369180 177375840 /nfs/dbraw/zinc/37/58/40/177375840.db2.gz YVAVSMXZMGXMKB-AAEUAGOBSA-N 1 2 244.363 3.526 20 0 BHADLO C[C@@H]1C[C@@H](c2ccsc2)CN1c1cccc[nH+]1 ZINC000361369182 176384300 /nfs/dbraw/zinc/38/43/00/176384300.db2.gz YVAVSMXZMGXMKB-DGCLKSJQSA-N 1 2 244.363 3.526 20 0 BHADLO C[C@H]1C[C@@H](c2ccsc2)CN1c1cccc[nH+]1 ZINC000361369183 177338932 /nfs/dbraw/zinc/33/89/32/177338932.db2.gz YVAVSMXZMGXMKB-WCQYABFASA-N 1 2 244.363 3.526 20 0 BHADLO C[C@@H]1C[C@H](c2ccsc2)CN1c1cccc[nH+]1 ZINC000361369184 387446837 /nfs/dbraw/zinc/44/68/37/387446837.db2.gz YVAVSMXZMGXMKB-YPMHNXCESA-N 1 2 244.363 3.526 20 0 BHADLO Cc1cccc2[nH+]c(CS[C@H](C)C(C)C)cn21 ZINC000361404308 179229035 /nfs/dbraw/zinc/22/90/35/179229035.db2.gz RPSVBCCIYOZCTL-GFCCVEGCSA-N 1 2 248.395 3.920 20 0 BHADLO Cc1cccc2[nH+]c(CS[C@@H](C)C(C)C)cn21 ZINC000361404309 179230039 /nfs/dbraw/zinc/23/00/39/179230039.db2.gz RPSVBCCIYOZCTL-LBPRGKRZSA-N 1 2 248.395 3.920 20 0 BHADLO C[N@@H+](Cc1ccco1)Cc1ccsc1Cl ZINC000361482809 387469460 /nfs/dbraw/zinc/46/94/60/387469460.db2.gz BJAHYPFKGQKCCC-UHFFFAOYSA-N 1 2 241.743 3.627 20 0 BHADLO C[N@H+](Cc1ccco1)Cc1ccsc1Cl ZINC000361482809 387469457 /nfs/dbraw/zinc/46/94/57/387469457.db2.gz BJAHYPFKGQKCCC-UHFFFAOYSA-N 1 2 241.743 3.627 20 0 BHADLO C[N@@H+](Cc1ccoc1)Cc1ccsc1Cl ZINC000361547091 387484481 /nfs/dbraw/zinc/48/44/81/387484481.db2.gz DNWFYMGYUUQNGF-UHFFFAOYSA-N 1 2 241.743 3.627 20 0 BHADLO C[N@H+](Cc1ccoc1)Cc1ccsc1Cl ZINC000361547091 387484477 /nfs/dbraw/zinc/48/44/77/387484477.db2.gz DNWFYMGYUUQNGF-UHFFFAOYSA-N 1 2 241.743 3.627 20 0 BHADLO Clc1sccc1C[NH+]1Cc2ccccc2C1 ZINC000361575940 387499772 /nfs/dbraw/zinc/49/97/72/387499772.db2.gz DUQILOLUKRSFCU-UHFFFAOYSA-N 1 2 249.766 3.917 20 0 BHADLO C[C@@H]1C[C@H](c2cccs2)CN1c1cccc[nH+]1 ZINC000361828205 176429992 /nfs/dbraw/zinc/42/99/92/176429992.db2.gz FNYMWZPSKNJDFH-NEPJUHHUSA-N 1 2 244.363 3.526 20 0 BHADLO C[C@H]1C[C@@H](c2cccs2)CN1c1cccc[nH+]1 ZINC000361828209 177339177 /nfs/dbraw/zinc/33/91/77/177339177.db2.gz FNYMWZPSKNJDFH-NWDGAFQWSA-N 1 2 244.363 3.526 20 0 BHADLO C[C@H]1C[C@H](c2cccs2)CN1c1cccc[nH+]1 ZINC000361828211 177375094 /nfs/dbraw/zinc/37/50/94/177375094.db2.gz FNYMWZPSKNJDFH-RYUDHWBXSA-N 1 2 244.363 3.526 20 0 BHADLO C[C@@H]1C[C@@H](c2cccs2)CN1c1cccc[nH+]1 ZINC000361828212 188071563 /nfs/dbraw/zinc/07/15/63/188071563.db2.gz FNYMWZPSKNJDFH-VXGBXAGGSA-N 1 2 244.363 3.526 20 0 BHADLO Cc1cc[nH+]c(C)c1NC(=O)CCC1CCCC1 ZINC000362394827 187731195 /nfs/dbraw/zinc/73/11/95/187731195.db2.gz GAHVNCMMLXKGOP-UHFFFAOYSA-N 1 2 246.354 3.607 20 0 BHADLO Cn1c[nH+]cc1CSC(C)(C)c1ccccc1 ZINC000362400316 387608108 /nfs/dbraw/zinc/60/81/08/387608108.db2.gz DWYHFVMBZYQYFI-UHFFFAOYSA-N 1 2 246.379 3.589 20 0 BHADLO Cn1cc[nH+]c1CSC(C)(C)c1ccccc1 ZINC000362402999 387608945 /nfs/dbraw/zinc/60/89/45/387608945.db2.gz NVUBWRMGJUIHLR-UHFFFAOYSA-N 1 2 246.379 3.589 20 0 BHADLO CC(C)(SCCn1cc[nH+]c1)c1ccccc1 ZINC000362406067 385543684 /nfs/dbraw/zinc/54/36/84/385543684.db2.gz ZLYVLWBVXOXPGU-UHFFFAOYSA-N 1 2 246.379 3.552 20 0 BHADLO CCCC(C)(C)CC(=O)Nc1ccc(C)[nH+]c1C ZINC000362522747 387624275 /nfs/dbraw/zinc/62/42/75/387624275.db2.gz CRNFVXHSBQXTHI-UHFFFAOYSA-N 1 2 248.370 3.853 20 0 BHADLO CCCC[C@@H](Nc1cc[nH+]c(C)n1)C1CCC1 ZINC000362560202 356947472 /nfs/dbraw/zinc/94/74/72/356947472.db2.gz KLZGTYQFYQRDAR-CYBMUJFWSA-N 1 2 233.359 3.556 20 0 BHADLO CCCC[C@H](Nc1cc[nH+]c(C)n1)C1CCC1 ZINC000362560203 169012582 /nfs/dbraw/zinc/01/25/82/169012582.db2.gz KLZGTYQFYQRDAR-ZDUSSCGKSA-N 1 2 233.359 3.556 20 0 BHADLO CCCN(c1[nH+]ccc2ccc(F)cc21)C1CC1 ZINC000362647577 169183586 /nfs/dbraw/zinc/18/35/86/169183586.db2.gz CLZMZVXKZYYQIQ-UHFFFAOYSA-N 1 2 244.313 3.753 20 0 BHADLO Cc1cc(Cl)cc(C)c1C[NH2+]CC(C)(F)F ZINC000378680843 346805723 /nfs/dbraw/zinc/80/57/23/346805723.db2.gz VXHCNYMKCGKGEW-UHFFFAOYSA-N 1 2 247.716 3.702 20 0 BHADLO Cc1sccc1C[NH2+]C1(C(F)F)CCCC1 ZINC000378728647 385479135 /nfs/dbraw/zinc/47/91/35/385479135.db2.gz CFDNZHFSSSUYDL-UHFFFAOYSA-N 1 2 245.338 3.724 20 0 BHADLO CC(F)(F)C[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000378750057 346823790 /nfs/dbraw/zinc/82/37/90/346823790.db2.gz NZAKLUYFYPALHC-LLVKDONJSA-N 1 2 245.700 3.572 20 0 BHADLO CC(F)(F)C[NH2+][C@H]1CCc2c1cccc2Cl ZINC000378750063 346824305 /nfs/dbraw/zinc/82/43/05/346824305.db2.gz NZAKLUYFYPALHC-NSHDSACASA-N 1 2 245.700 3.572 20 0 BHADLO CC(F)(F)C[NH2+]Cc1cc2ccccc2s1 ZINC000378753305 346823915 /nfs/dbraw/zinc/82/39/15/346823915.db2.gz QEENGYDIRGNRTM-UHFFFAOYSA-N 1 2 241.306 3.646 20 0 BHADLO CC[C@@H]([NH2+]CC(C)(F)F)c1ccc(C)cc1 ZINC000378774187 385503397 /nfs/dbraw/zinc/50/33/97/385503397.db2.gz DKOSDDQBWBGOTI-GFCCVEGCSA-N 1 2 227.298 3.691 20 0 BHADLO CC[C@H]([NH2+]CC(C)(F)F)c1ccc(C)cc1 ZINC000378774191 385504130 /nfs/dbraw/zinc/50/41/30/385504130.db2.gz DKOSDDQBWBGOTI-LBPRGKRZSA-N 1 2 227.298 3.691 20 0 BHADLO CC[C@@H]([NH2+]CC(C)(F)F)c1cccc(F)c1 ZINC000378776393 346830018 /nfs/dbraw/zinc/83/00/18/346830018.db2.gz FLMLHXMZANBLPH-LLVKDONJSA-N 1 2 231.261 3.522 20 0 BHADLO CC[C@H]([NH2+]CC(C)(F)F)c1cccc(F)c1 ZINC000378776395 346829854 /nfs/dbraw/zinc/82/98/54/346829854.db2.gz FLMLHXMZANBLPH-NSHDSACASA-N 1 2 231.261 3.522 20 0 BHADLO Cc1ccc([C@@H](C)[NH2+]CC(C)(F)F)c(C)c1 ZINC000378777722 346829948 /nfs/dbraw/zinc/82/99/48/346829948.db2.gz FXTLOOPNXOZYJK-LLVKDONJSA-N 1 2 227.298 3.609 20 0 BHADLO Cc1ccc([C@H](C)[NH2+]CC(C)(F)F)c(C)c1 ZINC000378777728 346830227 /nfs/dbraw/zinc/83/02/27/346830227.db2.gz FXTLOOPNXOZYJK-NSHDSACASA-N 1 2 227.298 3.609 20 0 BHADLO Cc1cc(C)cc([C@@H](C)[NH2+]CC(C)(F)F)c1 ZINC000378785661 346832414 /nfs/dbraw/zinc/83/24/14/346832414.db2.gz JQMDIUKCEXJUQS-LLVKDONJSA-N 1 2 227.298 3.609 20 0 BHADLO Cc1cc(C)cc([C@H](C)[NH2+]CC(C)(F)F)c1 ZINC000378785662 346832698 /nfs/dbraw/zinc/83/26/98/346832698.db2.gz JQMDIUKCEXJUQS-NSHDSACASA-N 1 2 227.298 3.609 20 0 BHADLO CC[C@@H]([NH2+]CC(C)(F)F)c1ccc(F)cc1 ZINC000378786488 385506131 /nfs/dbraw/zinc/50/61/31/385506131.db2.gz KFENRKFZFZXGTD-LLVKDONJSA-N 1 2 231.261 3.522 20 0 BHADLO CC[C@H]([NH2+]CC(C)(F)F)c1ccc(F)cc1 ZINC000378786489 385505251 /nfs/dbraw/zinc/50/52/51/385505251.db2.gz KFENRKFZFZXGTD-NSHDSACASA-N 1 2 231.261 3.522 20 0 BHADLO C[C@@H]([NH2+]CC(C)(F)F)c1ccc(Cl)cc1 ZINC000378794514 345572719 /nfs/dbraw/zinc/57/27/19/345572719.db2.gz PHNROMDYVJXSFY-MRVPVSSYSA-N 1 2 233.689 3.646 20 0 BHADLO C[C@H]([NH2+]CC(C)(F)F)c1ccc(Cl)cc1 ZINC000378794516 385512034 /nfs/dbraw/zinc/51/20/34/385512034.db2.gz PHNROMDYVJXSFY-QMMMGPOBSA-N 1 2 233.689 3.646 20 0 BHADLO CC[C@@H]([NH2+]CC(C)(F)F)c1cccc(C)c1 ZINC000378803178 346838427 /nfs/dbraw/zinc/83/84/27/346838427.db2.gz WDWIILZHIAQCKS-GFCCVEGCSA-N 1 2 227.298 3.691 20 0 BHADLO CC[C@H]([NH2+]CC(C)(F)F)c1cccc(C)c1 ZINC000378803179 346838441 /nfs/dbraw/zinc/83/84/41/346838441.db2.gz WDWIILZHIAQCKS-LBPRGKRZSA-N 1 2 227.298 3.691 20 0 BHADLO C[C@H]([NH2+]CC(C)(F)F)c1ccc(Cl)s1 ZINC000378807977 371020857 /nfs/dbraw/zinc/02/08/57/371020857.db2.gz ZMBSBPAOAWRJFA-LURJTMIESA-N 1 2 239.718 3.707 20 0 BHADLO C[C@@H]([NH2+]CC(C)(F)F)c1ccc(Cl)s1 ZINC000378807978 371020816 /nfs/dbraw/zinc/02/08/16/371020816.db2.gz ZMBSBPAOAWRJFA-ZCFIWIBFSA-N 1 2 239.718 3.707 20 0 BHADLO Cc1cccc([C@@H](C)[NH2+]CC(C)(F)F)c1C ZINC000378848155 346846071 /nfs/dbraw/zinc/84/60/71/346846071.db2.gz BNBIVXIYIVHOQQ-LLVKDONJSA-N 1 2 227.298 3.609 20 0 BHADLO Cc1cccc([C@H](C)[NH2+]CC(C)(F)F)c1C ZINC000378848156 346846189 /nfs/dbraw/zinc/84/61/89/346846189.db2.gz BNBIVXIYIVHOQQ-NSHDSACASA-N 1 2 227.298 3.609 20 0 BHADLO C[C@H]([NH2+]CC(C)(F)F)c1csc(Cl)c1 ZINC000378848937 346846805 /nfs/dbraw/zinc/84/68/05/346846805.db2.gz CJWLUNNYPSAINV-LURJTMIESA-N 1 2 239.718 3.707 20 0 BHADLO C[C@@H]([NH2+]CC(C)(F)F)c1csc(Cl)c1 ZINC000378848938 346846660 /nfs/dbraw/zinc/84/66/60/346846660.db2.gz CJWLUNNYPSAINV-ZCFIWIBFSA-N 1 2 239.718 3.707 20 0 BHADLO C[C@@H]([NH2+]CC(C)(F)F)c1cccc(Cl)c1 ZINC000378853696 346844257 /nfs/dbraw/zinc/84/42/57/346844257.db2.gz ICBAIXFSYWAPDV-MRVPVSSYSA-N 1 2 233.689 3.646 20 0 BHADLO C[C@H]([NH2+]CC(C)(F)F)c1cccc(Cl)c1 ZINC000378853697 346844233 /nfs/dbraw/zinc/84/42/33/346844233.db2.gz ICBAIXFSYWAPDV-QMMMGPOBSA-N 1 2 233.689 3.646 20 0 BHADLO CCC[C@@H]([NH2+]CC(C)(F)F)c1ccccc1 ZINC000378862539 346848109 /nfs/dbraw/zinc/84/81/09/346848109.db2.gz TWWKUTBIIUASBM-GFCCVEGCSA-N 1 2 227.298 3.773 20 0 BHADLO CCC[C@H]([NH2+]CC(C)(F)F)c1ccccc1 ZINC000378862540 346847879 /nfs/dbraw/zinc/84/78/79/346847879.db2.gz TWWKUTBIIUASBM-LBPRGKRZSA-N 1 2 227.298 3.773 20 0 BHADLO C[C@@H]([NH2+]CC(C)(F)F)c1ccccc1Cl ZINC000378864464 345675279 /nfs/dbraw/zinc/67/52/79/345675279.db2.gz XKBLQRCWWHMNIY-MRVPVSSYSA-N 1 2 233.689 3.646 20 0 BHADLO C[C@H]([NH2+]CC(C)(F)F)c1ccccc1Cl ZINC000378864465 345675720 /nfs/dbraw/zinc/67/57/20/345675720.db2.gz XKBLQRCWWHMNIY-QMMMGPOBSA-N 1 2 233.689 3.646 20 0 BHADLO CC(F)(F)C[NH2+]Cc1csc2ccccc12 ZINC000378873764 346850163 /nfs/dbraw/zinc/85/01/63/346850163.db2.gz VDMCVXIXVNPXQY-UHFFFAOYSA-N 1 2 241.306 3.646 20 0 BHADLO C[C@@H](Nc1ccc([NH+]2CCCC2)cc1)C1CCC1 ZINC000379043789 712368783 /nfs/dbraw/zinc/36/87/83/712368783.db2.gz DYLPQBIHXXBDRT-CYBMUJFWSA-N 1 2 244.382 3.887 20 0 BHADLO C[C@@H]([NH2+]c1ccc(N2CCCC2)cc1)C1CCC1 ZINC000379043789 712368781 /nfs/dbraw/zinc/36/87/81/712368781.db2.gz DYLPQBIHXXBDRT-CYBMUJFWSA-N 1 2 244.382 3.887 20 0 BHADLO C[C@H](Nc1ccc([NH+]2CCCC2)cc1)C1CCC1 ZINC000379043790 712368815 /nfs/dbraw/zinc/36/88/15/712368815.db2.gz DYLPQBIHXXBDRT-ZDUSSCGKSA-N 1 2 244.382 3.887 20 0 BHADLO C[C@H]([NH2+]c1ccc(N2CCCC2)cc1)C1CCC1 ZINC000379043790 712368814 /nfs/dbraw/zinc/36/88/14/712368814.db2.gz DYLPQBIHXXBDRT-ZDUSSCGKSA-N 1 2 244.382 3.887 20 0 BHADLO CC1(C)CC[C@H]1Nc1ccc2ccccc2[nH+]1 ZINC000379861091 365329777 /nfs/dbraw/zinc/32/97/77/365329777.db2.gz JYAVKLURYSIXIX-CYBMUJFWSA-N 1 2 226.323 3.835 20 0 BHADLO CC1(C)CC[C@@H]1Nc1ccc2ccccc2[nH+]1 ZINC000379861092 365329352 /nfs/dbraw/zinc/32/93/52/365329352.db2.gz JYAVKLURYSIXIX-ZDUSSCGKSA-N 1 2 226.323 3.835 20 0 BHADLO CC[C@H]([NH2+][C@@H](C)CCC(C)C)C(F)(F)F ZINC000379929372 365742531 /nfs/dbraw/zinc/74/25/31/365742531.db2.gz NKBFIMXQPMGDEM-UWVGGRQHSA-N 1 2 225.298 3.742 20 0 BHADLO CC[C@H]([NH2+][C@H](C)CCC(C)C)C(F)(F)F ZINC000379929373 365743219 /nfs/dbraw/zinc/74/32/19/365743219.db2.gz NKBFIMXQPMGDEM-ZJUUUORDSA-N 1 2 225.298 3.742 20 0 BHADLO CCC[C@H](CC)[NH2+][C@@H](C(C)C)C(F)(F)F ZINC000379929872 365742719 /nfs/dbraw/zinc/74/27/19/365742719.db2.gz NVMYSNKOKKCREI-UWVGGRQHSA-N 1 2 225.298 3.742 20 0 BHADLO CCC[C@@H](CC)[NH2+][C@@H](C(C)C)C(F)(F)F ZINC000379929873 365742557 /nfs/dbraw/zinc/74/25/57/365742557.db2.gz NVMYSNKOKKCREI-ZJUUUORDSA-N 1 2 225.298 3.742 20 0 BHADLO CC[C@H]([NH2+]C[C@@H](C)CC(C)C)C(F)(F)F ZINC000380012884 365805281 /nfs/dbraw/zinc/80/52/81/365805281.db2.gz SFSCOUHKLPWMFN-UWVGGRQHSA-N 1 2 225.298 3.599 20 0 BHADLO CC[C@H]([NH2+]C[C@H](C)CC(C)C)C(F)(F)F ZINC000380012886 365804637 /nfs/dbraw/zinc/80/46/37/365804637.db2.gz SFSCOUHKLPWMFN-ZJUUUORDSA-N 1 2 225.298 3.599 20 0 BHADLO CC[C@@H](C)C[NH2+][C@@H](C(C)(C)C)C(F)(F)F ZINC000380017927 365807837 /nfs/dbraw/zinc/80/78/37/365807837.db2.gz VAOQTCCEELLQMX-BDAKNGLRSA-N 1 2 225.298 3.599 20 0 BHADLO CC[C@H](C)C[NH2+][C@H](C(C)(C)C)C(F)(F)F ZINC000380017929 365808066 /nfs/dbraw/zinc/80/80/66/365808066.db2.gz VAOQTCCEELLQMX-DTWKUNHWSA-N 1 2 225.298 3.599 20 0 BHADLO CC[C@H](C)C[NH2+][C@@H](C(C)(C)C)C(F)(F)F ZINC000380017936 365808165 /nfs/dbraw/zinc/80/81/65/365808165.db2.gz VAOQTCCEELLQMX-IUCAKERBSA-N 1 2 225.298 3.599 20 0 BHADLO CC[C@@H](C)C[NH2+][C@H](C(C)(C)C)C(F)(F)F ZINC000380017938 365807722 /nfs/dbraw/zinc/80/77/22/365807722.db2.gz VAOQTCCEELLQMX-RKDXNWHRSA-N 1 2 225.298 3.599 20 0 BHADLO Cc1cc2[nH+]cn(CCCCCF)c2cc1C ZINC000380088211 365874285 /nfs/dbraw/zinc/87/42/85/365874285.db2.gz UGZOAOVBBFZFLJ-UHFFFAOYSA-N 1 2 234.318 3.793 20 0 BHADLO CC(C)C[C@@H]([NH2+]CC(F)F)c1cccs1 ZINC000380102936 538985573 /nfs/dbraw/zinc/98/55/73/538985573.db2.gz MKPANVMLBNENEC-SECBINFHSA-N 1 2 233.327 3.690 20 0 BHADLO CC(C)C[C@H]([NH2+]CC(F)F)c1cccs1 ZINC000380102942 538985185 /nfs/dbraw/zinc/98/51/85/538985185.db2.gz MKPANVMLBNENEC-VIFPVBQESA-N 1 2 233.327 3.690 20 0 BHADLO Cc1cc(N(C)C)ccc1[NH2+][C@@H]1C[C@@H](C)[C@@H]1C ZINC000380172176 712705787 /nfs/dbraw/zinc/70/57/87/712705787.db2.gz NEYJITPQLOUBET-IFUGULHKSA-N 1 2 232.371 3.517 20 0 BHADLO Cc1cc([NH+](C)C)ccc1N[C@@H]1C[C@@H](C)[C@@H]1C ZINC000380172176 712705786 /nfs/dbraw/zinc/70/57/86/712705786.db2.gz NEYJITPQLOUBET-IFUGULHKSA-N 1 2 232.371 3.517 20 0 BHADLO Cc1cc(N(C)C)ccc1[NH2+][C@@H]1C[C@H](C)[C@@H]1C ZINC000380172178 712705861 /nfs/dbraw/zinc/70/58/61/712705861.db2.gz NEYJITPQLOUBET-ITDIGPHOSA-N 1 2 232.371 3.517 20 0 BHADLO Cc1cc([NH+](C)C)ccc1N[C@@H]1C[C@H](C)[C@@H]1C ZINC000380172178 712705859 /nfs/dbraw/zinc/70/58/59/712705859.db2.gz NEYJITPQLOUBET-ITDIGPHOSA-N 1 2 232.371 3.517 20 0 BHADLO Cc1cc(N(C)C)ccc1[NH2+][C@@H]1C[C@@H](C)[C@H]1C ZINC000380172179 712705801 /nfs/dbraw/zinc/70/58/01/712705801.db2.gz NEYJITPQLOUBET-IXPVHAAZSA-N 1 2 232.371 3.517 20 0 BHADLO Cc1cc([NH+](C)C)ccc1N[C@@H]1C[C@@H](C)[C@H]1C ZINC000380172179 712705799 /nfs/dbraw/zinc/70/57/99/712705799.db2.gz NEYJITPQLOUBET-IXPVHAAZSA-N 1 2 232.371 3.517 20 0 BHADLO Cc1cc(N(C)C)ccc1[NH2+][C@@H]1C[C@H](C)[C@H]1C ZINC000380172182 712705742 /nfs/dbraw/zinc/70/57/42/712705742.db2.gz NEYJITPQLOUBET-JVLSTEMRSA-N 1 2 232.371 3.517 20 0 BHADLO Cc1cc([NH+](C)C)ccc1N[C@@H]1C[C@H](C)[C@H]1C ZINC000380172182 712705739 /nfs/dbraw/zinc/70/57/39/712705739.db2.gz NEYJITPQLOUBET-JVLSTEMRSA-N 1 2 232.371 3.517 20 0 BHADLO CC[C@](C)([NH2+]CCCC(C)C)C(F)(F)F ZINC000380172490 352556116 /nfs/dbraw/zinc/55/61/16/352556116.db2.gz HZOYAZNVENKBJD-JTQLQIEISA-N 1 2 225.298 3.743 20 0 BHADLO CC[C@@](C)([NH2+]CCCC(C)C)C(F)(F)F ZINC000380172491 352556224 /nfs/dbraw/zinc/55/62/24/352556224.db2.gz HZOYAZNVENKBJD-SNVBAGLBSA-N 1 2 225.298 3.743 20 0 BHADLO CC[C@H](C)[C@@H](C)[NH2+][C@@H](C(C)C)C(F)(F)F ZINC000380181851 345261010 /nfs/dbraw/zinc/26/10/10/345261010.db2.gz MFTURJGUOMZHQR-AEJSXWLSSA-N 1 2 225.298 3.598 20 0 BHADLO CC[C@@H](C)[C@@H](C)[NH2+][C@@H](C(C)C)C(F)(F)F ZINC000380181852 345261080 /nfs/dbraw/zinc/26/10/80/345261080.db2.gz MFTURJGUOMZHQR-BBBLOLIVSA-N 1 2 225.298 3.598 20 0 BHADLO CC[C@H](C)[C@H](C)[NH2+][C@@H](C(C)C)C(F)(F)F ZINC000380181859 344707191 /nfs/dbraw/zinc/70/71/91/344707191.db2.gz MFTURJGUOMZHQR-GUBZILKMSA-N 1 2 225.298 3.598 20 0 BHADLO CC[C@@H](C)[C@H](C)[NH2+][C@@H](C(C)C)C(F)(F)F ZINC000380181866 345262095 /nfs/dbraw/zinc/26/20/95/345262095.db2.gz MFTURJGUOMZHQR-UTLUCORTSA-N 1 2 225.298 3.598 20 0 BHADLO Cc1cc[nH+]c(NC[C@@H](C)C2CC2)c1Cl ZINC000380182584 538986789 /nfs/dbraw/zinc/98/67/89/538986789.db2.gz GIJJGANDGRFTOZ-SECBINFHSA-N 1 2 224.735 3.501 20 0 BHADLO Cc1cc[nH+]c(NC[C@H](C)C2CC2)c1Cl ZINC000380182594 538109534 /nfs/dbraw/zinc/10/95/34/538109534.db2.gz GIJJGANDGRFTOZ-VIFPVBQESA-N 1 2 224.735 3.501 20 0 BHADLO CC(C)(C)C(C)(C)CNc1cccc[nH+]1 ZINC000380330653 346545078 /nfs/dbraw/zinc/54/50/78/346545078.db2.gz OBSDXKLPKJOABV-UHFFFAOYSA-N 1 2 206.333 3.566 20 0 BHADLO CC[C@](C)([NH2+]CCC(C)(C)C)C(F)(F)F ZINC000380347880 359571365 /nfs/dbraw/zinc/57/13/65/359571365.db2.gz ULXNHSLPRCLBDL-JTQLQIEISA-N 1 2 225.298 3.743 20 0 BHADLO CC[C@@](C)([NH2+]CCC(C)(C)C)C(F)(F)F ZINC000380347885 359568969 /nfs/dbraw/zinc/56/89/69/359568969.db2.gz ULXNHSLPRCLBDL-SNVBAGLBSA-N 1 2 225.298 3.743 20 0 BHADLO CC(C)CC[C@@H](C)[NH2+][C@@H](C(C)C)C(F)(F)F ZINC000381033477 367338373 /nfs/dbraw/zinc/33/83/73/367338373.db2.gz AVMMIJWMGYAHQA-MNOVXSKESA-N 1 2 239.325 3.988 20 0 BHADLO CC(C)CC[C@H](C)[NH2+][C@@H](C(C)C)C(F)(F)F ZINC000381033480 367337877 /nfs/dbraw/zinc/33/78/77/367337877.db2.gz AVMMIJWMGYAHQA-QWRGUYRKSA-N 1 2 239.325 3.988 20 0 BHADLO CC(C)CC[C@H]([NH2+]CC(F)(F)F)C(C)(C)C ZINC000381129725 367355225 /nfs/dbraw/zinc/35/52/25/367355225.db2.gz KJNGCAMZBJAJCQ-JTQLQIEISA-N 1 2 239.325 3.989 20 0 BHADLO CC(C)CC[C@@H]([NH2+]CC(F)(F)F)C(C)(C)C ZINC000381129732 367353286 /nfs/dbraw/zinc/35/32/86/367353286.db2.gz KJNGCAMZBJAJCQ-SNVBAGLBSA-N 1 2 239.325 3.989 20 0 BHADLO CC(C)[C@H]([NH2+]C1CCCCCC1)C(F)(F)F ZINC000381155740 398241945 /nfs/dbraw/zinc/24/19/45/398241945.db2.gz QCAKTBXYKFXACZ-NSHDSACASA-N 1 2 237.309 3.886 20 0 BHADLO CC(C)[C@H]([NH2+]C1CCC(C)CC1)C(F)(F)F ZINC000381174316 344105019 /nfs/dbraw/zinc/10/50/19/344105019.db2.gz UVABIGAXKDQIMS-ILDUYXDCSA-N 1 2 237.309 3.742 20 0 BHADLO CC(C)[C@H]([NH2+][C@@H]1CCCC[C@@H]1C)C(F)(F)F ZINC000381175012 344107307 /nfs/dbraw/zinc/10/73/07/344107307.db2.gz UZWOAVAPAKPJHG-AXFHLTTASA-N 1 2 237.309 3.742 20 0 BHADLO CC(C)[C@H]([NH2+][C@H]1CCCC[C@@H]1C)C(F)(F)F ZINC000381175013 344107694 /nfs/dbraw/zinc/10/76/94/344107694.db2.gz UZWOAVAPAKPJHG-DCAQKATOSA-N 1 2 237.309 3.742 20 0 BHADLO CC(C)[C@H]([NH2+][C@@H]1CCCC[C@H]1C)C(F)(F)F ZINC000381175014 344107557 /nfs/dbraw/zinc/10/75/57/344107557.db2.gz UZWOAVAPAKPJHG-MXWKQRLJSA-N 1 2 237.309 3.742 20 0 BHADLO CC(C)[C@H]([NH2+][C@H]1CCCC[C@H]1C)C(F)(F)F ZINC000381175015 344107299 /nfs/dbraw/zinc/10/72/99/344107299.db2.gz UZWOAVAPAKPJHG-VWYCJHECSA-N 1 2 237.309 3.742 20 0 BHADLO FC(F)(F)C[NH2+][C@H]1CCCCC12CCCC2 ZINC000381254417 367370420 /nfs/dbraw/zinc/37/04/20/367370420.db2.gz PNHTZFNUUQDKDN-JTQLQIEISA-N 1 2 235.293 3.641 20 0 BHADLO FC(F)(F)C[NH2+][C@@H]1CCCCC12CCCC2 ZINC000381254421 367370226 /nfs/dbraw/zinc/37/02/26/367370226.db2.gz PNHTZFNUUQDKDN-SNVBAGLBSA-N 1 2 235.293 3.641 20 0 BHADLO CC[C@H]([NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1)C(F)(F)F ZINC000381292434 367376190 /nfs/dbraw/zinc/37/61/90/367376190.db2.gz DUKUEJRZJFQGRI-DBIOUOCHSA-N 1 2 237.309 3.742 20 0 BHADLO CC[C@H]([NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1)C(F)(F)F ZINC000381292435 367375869 /nfs/dbraw/zinc/37/58/69/367375869.db2.gz DUKUEJRZJFQGRI-MMWGEVLESA-N 1 2 237.309 3.742 20 0 BHADLO CC[C@H]([NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1)C(F)(F)F ZINC000381292574 367375748 /nfs/dbraw/zinc/37/57/48/367375748.db2.gz DUKUEJRZJFQGRI-YTWAJWBKSA-N 1 2 237.309 3.742 20 0 BHADLO CC[C@H]([NH2+][C@@H]1CC[C@H](C)[C@H](C)C1)C(F)(F)F ZINC000381292576 345254385 /nfs/dbraw/zinc/25/43/85/345254385.db2.gz DUKUEJRZJFQGRI-ZDCRXTMVSA-N 1 2 237.309 3.742 20 0 BHADLO CN(C)c1ccc([NH2+]CC2(C)CC2)cc1Cl ZINC000381292616 710617609 /nfs/dbraw/zinc/61/76/09/710617609.db2.gz DVVYLNCXRPSFLM-UHFFFAOYSA-N 1 2 238.762 3.618 20 0 BHADLO CCCC[C@@H](CC)[NH2+][C@H](C1CC1)C(F)(F)F ZINC000381298138 345264215 /nfs/dbraw/zinc/26/42/15/345264215.db2.gz HGKKWRJEHNKCGK-GHMZBOCLSA-N 1 2 237.309 3.886 20 0 BHADLO CCCC[C@@H](CC)[NH2+][C@@H](C1CC1)C(F)(F)F ZINC000381298139 345264139 /nfs/dbraw/zinc/26/41/39/345264139.db2.gz HGKKWRJEHNKCGK-MNOVXSKESA-N 1 2 237.309 3.886 20 0 BHADLO CCCC[C@H](CC)[NH2+][C@@H](C1CC1)C(F)(F)F ZINC000381298141 367376939 /nfs/dbraw/zinc/37/69/39/367376939.db2.gz HGKKWRJEHNKCGK-QWRGUYRKSA-N 1 2 237.309 3.886 20 0 BHADLO CCCC[C@H](CC)[NH2+][C@H](C1CC1)C(F)(F)F ZINC000381298143 367376628 /nfs/dbraw/zinc/37/66/28/367376628.db2.gz HGKKWRJEHNKCGK-WDEREUQCSA-N 1 2 237.309 3.886 20 0 BHADLO CCC1(C)CCC([NH2+][C@H](C)C(F)(F)F)CC1 ZINC000381333985 367383384 /nfs/dbraw/zinc/38/33/84/367383384.db2.gz UYFKOLXENPRHGI-KPPDAEKUSA-N 1 2 237.309 3.886 20 0 BHADLO CCC1(C)CCC([NH2+][C@@H](C)C(F)(F)F)CC1 ZINC000381333989 367382272 /nfs/dbraw/zinc/38/22/72/367382272.db2.gz UYFKOLXENPRHGI-WHXUTIOJSA-N 1 2 237.309 3.886 20 0 BHADLO C[C@H]([NH2+][C@@H]1CCCC1(F)F)c1ccccc1 ZINC000381433261 539000542 /nfs/dbraw/zinc/00/05/42/539000542.db2.gz BYPWUWBJNHAEAZ-CMPLNLGQSA-N 1 2 225.282 3.525 20 0 BHADLO C[C@H]([NH2+][C@H]1CCCC1(F)F)c1ccccc1 ZINC000381433262 539000638 /nfs/dbraw/zinc/00/06/38/539000638.db2.gz BYPWUWBJNHAEAZ-JQWIXIFHSA-N 1 2 225.282 3.525 20 0 BHADLO C[C@@H]([NH2+][C@H]1CCCC1(F)F)c1ccccc1 ZINC000381433263 539000619 /nfs/dbraw/zinc/00/06/19/539000619.db2.gz BYPWUWBJNHAEAZ-PWSUYJOCSA-N 1 2 225.282 3.525 20 0 BHADLO C[C@@H]([NH2+][C@@H]1CCCC1(F)F)c1ccccc1 ZINC000381433269 539000869 /nfs/dbraw/zinc/00/08/69/539000869.db2.gz BYPWUWBJNHAEAZ-ZYHUDNBSSA-N 1 2 225.282 3.525 20 0 BHADLO CC[C@H]([NH2+][C@H](C)C1CCCCC1)C(F)(F)F ZINC000381448727 367406508 /nfs/dbraw/zinc/40/65/08/367406508.db2.gz GRDDVOHBYRGUDJ-KOLCDFICSA-N 1 2 237.309 3.886 20 0 BHADLO CC[C@H]([NH2+][C@@H](C)C1CCCCC1)C(F)(F)F ZINC000381448728 367405876 /nfs/dbraw/zinc/40/58/76/367405876.db2.gz GRDDVOHBYRGUDJ-ONGXEEELSA-N 1 2 237.309 3.886 20 0 BHADLO CC(C)[C@H]([NH2+]C[C@H]1CC=CCC1)C(F)(F)F ZINC000381463327 367410559 /nfs/dbraw/zinc/41/05/59/367410559.db2.gz KIJHIPYTCINWFQ-QWRGUYRKSA-N 1 2 235.293 3.519 20 0 BHADLO C[C@@H]([NH2+][C@H]1CCC(C)(C)C[C@H]1C)C(F)(F)F ZINC000381476883 346028995 /nfs/dbraw/zinc/02/89/95/346028995.db2.gz REIASZURSSLBHU-BBBLOLIVSA-N 1 2 237.309 3.742 20 0 BHADLO C[C@H]([NH2+][C@@H]1CCC(C)(C)C[C@H]1C)C(F)(F)F ZINC000381476884 346029168 /nfs/dbraw/zinc/02/91/68/346029168.db2.gz REIASZURSSLBHU-KXUCPTDWSA-N 1 2 237.309 3.742 20 0 BHADLO C[C@@H]([NH2+][C@@H]1CCC(C)(C)C[C@H]1C)C(F)(F)F ZINC000381476885 346028924 /nfs/dbraw/zinc/02/89/24/346028924.db2.gz REIASZURSSLBHU-OPRDCNLKSA-N 1 2 237.309 3.742 20 0 BHADLO C[C@H]([NH2+][C@H]1CCC(C)(C)C[C@H]1C)C(F)(F)F ZINC000381476886 346029058 /nfs/dbraw/zinc/02/90/58/346029058.db2.gz REIASZURSSLBHU-UTLUCORTSA-N 1 2 237.309 3.742 20 0 BHADLO CC[C@H]([NH2+][C@H](C)CC1CCCC1)C(F)(F)F ZINC000381491571 346063878 /nfs/dbraw/zinc/06/38/78/346063878.db2.gz YBZNUHMVPFUBFI-KOLCDFICSA-N 1 2 237.309 3.886 20 0 BHADLO CC[C@H]([NH2+][C@@H](C)CC1CCCC1)C(F)(F)F ZINC000381491572 346063644 /nfs/dbraw/zinc/06/36/44/346063644.db2.gz YBZNUHMVPFUBFI-ONGXEEELSA-N 1 2 237.309 3.886 20 0 BHADLO CC[C@H]([NH2+]CC(C(C)C)C(C)C)C(F)(F)F ZINC000381498333 346156594 /nfs/dbraw/zinc/15/65/94/346156594.db2.gz BUYGTWFLYBTNJD-NSHDSACASA-N 1 2 239.325 3.845 20 0 BHADLO CC(C)[C@@H]1CCC[C@@H](Nc2cccc[nH+]2)C1 ZINC000381518384 346236434 /nfs/dbraw/zinc/23/64/34/346236434.db2.gz SXXQGECHYGFDQQ-CHWSQXEVSA-N 1 2 218.344 3.708 20 0 BHADLO CC(C)[C@@H]1CCC[C@H](Nc2cccc[nH+]2)C1 ZINC000381518399 367423387 /nfs/dbraw/zinc/42/33/87/367423387.db2.gz SXXQGECHYGFDQQ-OLZOCXBDSA-N 1 2 218.344 3.708 20 0 BHADLO CC(C)[C@H]1CCC[C@@H](Nc2cccc[nH+]2)C1 ZINC000381518400 367422681 /nfs/dbraw/zinc/42/26/81/367422681.db2.gz SXXQGECHYGFDQQ-QWHCGFSZSA-N 1 2 218.344 3.708 20 0 BHADLO CC(C)[C@H]1CCC[C@H](Nc2cccc[nH+]2)C1 ZINC000381518401 367422770 /nfs/dbraw/zinc/42/27/70/367422770.db2.gz SXXQGECHYGFDQQ-STQMWFEESA-N 1 2 218.344 3.708 20 0 BHADLO Cc1ccc(C[NH2+]C2(C(F)F)CC2)cc1Cl ZINC000381534775 346284152 /nfs/dbraw/zinc/28/41/52/346284152.db2.gz DWDWEQKTXKNKEM-UHFFFAOYSA-N 1 2 245.700 3.536 20 0 BHADLO Cc1cc(Cl)ccc1C[NH2+]C(C)(C)C(F)F ZINC000381537258 539003345 /nfs/dbraw/zinc/00/33/45/539003345.db2.gz GCVPMBZFNYWWKB-UHFFFAOYSA-N 1 2 247.716 3.782 20 0 BHADLO CC/C=C/CC[NH2+][C@@H](C(C)(C)C)C(F)(F)F ZINC000381549509 346329094 /nfs/dbraw/zinc/32/90/94/346329094.db2.gz LYXYHYBJVVBEAH-FGEFZZPRSA-N 1 2 237.309 3.909 20 0 BHADLO CC/C=C\CC[NH2+][C@@H](C(C)(C)C)C(F)(F)F ZINC000381549511 346328947 /nfs/dbraw/zinc/32/89/47/346328947.db2.gz LYXYHYBJVVBEAH-GFVADAIESA-N 1 2 237.309 3.909 20 0 BHADLO CC/C=C\CC[NH2+][C@H](C(C)(C)C)C(F)(F)F ZINC000381549512 346328964 /nfs/dbraw/zinc/32/89/64/346328964.db2.gz LYXYHYBJVVBEAH-JYESYGNLSA-N 1 2 237.309 3.909 20 0 BHADLO CC/C=C/CC[NH2+][C@H](C(C)(C)C)C(F)(F)F ZINC000381549514 346329302 /nfs/dbraw/zinc/32/93/02/346329302.db2.gz LYXYHYBJVVBEAH-VQCYPWCPSA-N 1 2 237.309 3.909 20 0 BHADLO Cc1cc(C[NH2+]C2(C(F)F)CC2)ccc1Cl ZINC000381552166 367429478 /nfs/dbraw/zinc/42/94/78/367429478.db2.gz NCZVEBCROYIJAN-UHFFFAOYSA-N 1 2 245.700 3.536 20 0 BHADLO CSc1ccc(C[NH2+]C(C)(C)C(F)F)cc1 ZINC000381562544 632870983 /nfs/dbraw/zinc/87/09/83/632870983.db2.gz RUZIZTGOHQHMPT-UHFFFAOYSA-N 1 2 245.338 3.542 20 0 BHADLO CCCC1CCC([NH2+][C@H](C)C(F)(F)F)CC1 ZINC000381567503 346366701 /nfs/dbraw/zinc/36/67/01/346366701.db2.gz VHMAAPIYAJQYRW-KPPDAEKUSA-N 1 2 237.309 3.886 20 0 BHADLO CCCC1CCC([NH2+][C@@H](C)C(F)(F)F)CC1 ZINC000381567504 346366192 /nfs/dbraw/zinc/36/61/92/346366192.db2.gz VHMAAPIYAJQYRW-WHXUTIOJSA-N 1 2 237.309 3.886 20 0 BHADLO Cc1ccc(N[C@@H]2CC[C@H]2C(C)(C)C)c[nH+]1 ZINC000381581720 367432069 /nfs/dbraw/zinc/43/20/69/367432069.db2.gz FNOXNXOSCKLRPD-CHWSQXEVSA-N 1 2 218.344 3.627 20 0 BHADLO Cc1ccc(N[C@H]2CC[C@H]2C(C)(C)C)c[nH+]1 ZINC000381581721 367432440 /nfs/dbraw/zinc/43/24/40/367432440.db2.gz FNOXNXOSCKLRPD-OLZOCXBDSA-N 1 2 218.344 3.627 20 0 BHADLO Cc1ccc(N[C@@H]2CC[C@@H]2C(C)(C)C)c[nH+]1 ZINC000381581723 367432115 /nfs/dbraw/zinc/43/21/15/367432115.db2.gz FNOXNXOSCKLRPD-QWHCGFSZSA-N 1 2 218.344 3.627 20 0 BHADLO Cc1ccc(N[C@H]2CC[C@@H]2C(C)(C)C)c[nH+]1 ZINC000381581724 367432594 /nfs/dbraw/zinc/43/25/94/367432594.db2.gz FNOXNXOSCKLRPD-STQMWFEESA-N 1 2 218.344 3.627 20 0 BHADLO CCC[C@@H]([NH2+]CC(F)(F)F)C1CCCCC1 ZINC000381599668 346406300 /nfs/dbraw/zinc/40/63/00/346406300.db2.gz NADZSYQSWZXJHE-LLVKDONJSA-N 1 2 237.309 3.887 20 0 BHADLO CCC[C@H]([NH2+]CC(F)(F)F)C1CCCCC1 ZINC000381599670 346406058 /nfs/dbraw/zinc/40/60/58/346406058.db2.gz NADZSYQSWZXJHE-NSHDSACASA-N 1 2 237.309 3.887 20 0 BHADLO Cc1cc[nH+]c(NC(C2CC2)C2CC2)c1Cl ZINC000381604984 367435960 /nfs/dbraw/zinc/43/59/60/367435960.db2.gz PRDYDCCYUPEIRM-UHFFFAOYSA-N 1 2 236.746 3.644 20 0 BHADLO CC[C@H]([NH2+]CC1CCCCCC1)C(F)(F)F ZINC000381618445 346444514 /nfs/dbraw/zinc/44/45/14/346444514.db2.gz WXKTZOHPUXUAHD-NSHDSACASA-N 1 2 237.309 3.887 20 0 BHADLO CC(C)(C)[C@@H]([NH2+]CC1(C)CCC1)C(F)(F)F ZINC000381627393 367440387 /nfs/dbraw/zinc/44/03/87/367440387.db2.gz MLNNFXNNVCBMQO-SECBINFHSA-N 1 2 237.309 3.743 20 0 BHADLO CC(C)(C)[C@H]([NH2+]CC1(C)CCC1)C(F)(F)F ZINC000381627395 367440419 /nfs/dbraw/zinc/44/04/19/367440419.db2.gz MLNNFXNNVCBMQO-VIFPVBQESA-N 1 2 237.309 3.743 20 0 BHADLO CC[C@H]([NH2+][C@@H]1CCC[C@H](CC)C1)C(F)(F)F ZINC000381646932 346541177 /nfs/dbraw/zinc/54/11/77/346541177.db2.gz BVZMXDCWADZFIA-AXFHLTTASA-N 1 2 237.309 3.886 20 0 BHADLO CC[C@H]([NH2+][C@H]1CCC[C@H](CC)C1)C(F)(F)F ZINC000381646938 346541031 /nfs/dbraw/zinc/54/10/31/346541031.db2.gz BVZMXDCWADZFIA-DCAQKATOSA-N 1 2 237.309 3.886 20 0 BHADLO CC[C@H]([NH2+][C@@H]1CCC[C@@H](CC)C1)C(F)(F)F ZINC000381646941 346540863 /nfs/dbraw/zinc/54/08/63/346540863.db2.gz BVZMXDCWADZFIA-MXWKQRLJSA-N 1 2 237.309 3.886 20 0 BHADLO CC[C@H]([NH2+][C@H]1CCC[C@@H](CC)C1)C(F)(F)F ZINC000381646943 367442878 /nfs/dbraw/zinc/44/28/78/367442878.db2.gz BVZMXDCWADZFIA-VWYCJHECSA-N 1 2 237.309 3.886 20 0 BHADLO CC(C)[C@H]([NH2+][C@H](C)C1CCCC1)C(F)(F)F ZINC000381648072 346545788 /nfs/dbraw/zinc/54/57/88/346545788.db2.gz CGCMEYCARZAYAR-KOLCDFICSA-N 1 2 237.309 3.742 20 0 BHADLO CC(C)[C@H]([NH2+][C@@H](C)C1CCCC1)C(F)(F)F ZINC000381648076 346545566 /nfs/dbraw/zinc/54/55/66/346545566.db2.gz CGCMEYCARZAYAR-ONGXEEELSA-N 1 2 237.309 3.742 20 0 BHADLO CC[C@H]([NH2+][C@H]1CCC12CCCC2)C(F)(F)F ZINC000381648825 346546546 /nfs/dbraw/zinc/54/65/46/346546546.db2.gz COGPVKFJIGBVKE-UWVGGRQHSA-N 1 2 235.293 3.640 20 0 BHADLO CC[C@H]([NH2+][C@@H]1CCC12CCCC2)C(F)(F)F ZINC000381648826 346546168 /nfs/dbraw/zinc/54/61/68/346546168.db2.gz COGPVKFJIGBVKE-VHSXEESVSA-N 1 2 235.293 3.640 20 0 BHADLO C[C@@H]([NH2+][C@H](C)C(F)(F)F)C1C(C)(C)C1(C)C ZINC000381708070 367448534 /nfs/dbraw/zinc/44/85/34/367448534.db2.gz JWEIRKTZGDLQOS-HTQZYQBOSA-N 1 2 237.309 3.598 20 0 BHADLO C[C@@H]([NH2+][C@@H](C)C1C(C)(C)C1(C)C)C(F)(F)F ZINC000381708071 367449231 /nfs/dbraw/zinc/44/92/31/367449231.db2.gz JWEIRKTZGDLQOS-JGVFFNPUSA-N 1 2 237.309 3.598 20 0 BHADLO C[C@@H]([NH2+][C@@H](C)C(F)(F)F)C1C(C)(C)C1(C)C ZINC000381708072 367449169 /nfs/dbraw/zinc/44/91/69/367449169.db2.gz JWEIRKTZGDLQOS-SFYZADRCSA-N 1 2 237.309 3.598 20 0 BHADLO C[C@H]([NH2+][C@@H](C)C(F)(F)F)C1C(C)(C)C1(C)C ZINC000381708073 367448885 /nfs/dbraw/zinc/44/88/85/367448885.db2.gz JWEIRKTZGDLQOS-YUMQZZPRSA-N 1 2 237.309 3.598 20 0 BHADLO C[C@@H]([NH2+]C[C@@H]1CCCC(C)(C)C1)C(F)(F)F ZINC000381777518 539006958 /nfs/dbraw/zinc/00/69/58/539006958.db2.gz XGIDPFKSGJYDGE-NXEZZACHSA-N 1 2 237.309 3.743 20 0 BHADLO C[C@H]([NH2+]C[C@H]1CCCC(C)(C)C1)C(F)(F)F ZINC000381777519 539006924 /nfs/dbraw/zinc/00/69/24/539006924.db2.gz XGIDPFKSGJYDGE-UWVGGRQHSA-N 1 2 237.309 3.743 20 0 BHADLO C[C@H]([NH2+]C[C@@H]1CCCC(C)(C)C1)C(F)(F)F ZINC000381777520 539007129 /nfs/dbraw/zinc/00/71/29/539007129.db2.gz XGIDPFKSGJYDGE-VHSXEESVSA-N 1 2 237.309 3.743 20 0 BHADLO C[C@@H]([NH2+]C[C@H]1CCCC(C)(C)C1)C(F)(F)F ZINC000381777521 538468637 /nfs/dbraw/zinc/46/86/37/538468637.db2.gz XGIDPFKSGJYDGE-ZJUUUORDSA-N 1 2 237.309 3.743 20 0 BHADLO FC1(F)CCC[C@H]1[NH2+]Cc1ccccc1Cl ZINC000381815776 539007481 /nfs/dbraw/zinc/00/74/81/539007481.db2.gz JERREPCATLQQDL-LLVKDONJSA-N 1 2 245.700 3.617 20 0 BHADLO FC1(F)CCC[C@@H]1[NH2+]Cc1ccccc1Cl ZINC000381815777 539007587 /nfs/dbraw/zinc/00/75/87/539007587.db2.gz JERREPCATLQQDL-NSHDSACASA-N 1 2 245.700 3.617 20 0 BHADLO FC(F)C1([NH2+]Cc2ccsc2)CCCCC1 ZINC000381866505 367463517 /nfs/dbraw/zinc/46/35/17/367463517.db2.gz XLHNTFWZPFAMEX-UHFFFAOYSA-N 1 2 245.338 3.806 20 0 BHADLO CCc1cccc(Cl)c1C[NH2+]CC(C)(F)F ZINC000381993616 347039592 /nfs/dbraw/zinc/03/95/92/347039592.db2.gz HZZRZNUGZKTZKQ-UHFFFAOYSA-N 1 2 247.716 3.647 20 0 BHADLO Cc1cc(Cl)cc(C[NH2+]C(C)(C)C(F)F)c1 ZINC000382030440 410952635 /nfs/dbraw/zinc/95/26/35/410952635.db2.gz UCTSOMVFTIYMHF-UHFFFAOYSA-N 1 2 247.716 3.782 20 0 BHADLO CCc1ccc([C@H](C)[NH2+]CC(C)(F)F)cc1 ZINC000382040344 347095790 /nfs/dbraw/zinc/09/57/90/347095790.db2.gz XGECVJPTHMMUHP-JTQLQIEISA-N 1 2 227.298 3.555 20 0 BHADLO CCc1ccc([C@@H](C)[NH2+]CC(C)(F)F)cc1 ZINC000382040345 347096085 /nfs/dbraw/zinc/09/60/85/347096085.db2.gz XGECVJPTHMMUHP-SNVBAGLBSA-N 1 2 227.298 3.555 20 0 BHADLO CN(C)c1ccc([NH2+][C@@H]2CC3CCC2CC3)cc1 ZINC000382095728 710775267 /nfs/dbraw/zinc/77/52/67/710775267.db2.gz HYIUHCWPKDZUPP-SEEARECTSA-N 1 2 244.382 3.743 20 0 BHADLO CN(C)c1ccc([NH2+][C@H]2CC3CCC2CC3)cc1 ZINC000382095729 710774795 /nfs/dbraw/zinc/77/47/95/710774795.db2.gz HYIUHCWPKDZUPP-ZUEPYMLJSA-N 1 2 244.382 3.743 20 0 BHADLO C[C@@H]([NH2+]CC(C)(F)F)c1cc2c(s1)CCC2 ZINC000382110792 347185813 /nfs/dbraw/zinc/18/58/13/347185813.db2.gz KHTFUNPTMJWQOM-MRVPVSSYSA-N 1 2 245.338 3.543 20 0 BHADLO C[C@H]([NH2+]CC(C)(F)F)c1cc2c(s1)CCC2 ZINC000382110794 347185655 /nfs/dbraw/zinc/18/56/55/347185655.db2.gz KHTFUNPTMJWQOM-QMMMGPOBSA-N 1 2 245.338 3.543 20 0 BHADLO CCC[C@H]([NH2+]CC(C)(F)F)c1ccsc1 ZINC000382177184 367493606 /nfs/dbraw/zinc/49/36/06/367493606.db2.gz YHBSGQORBWJSCH-JTQLQIEISA-N 1 2 233.327 3.834 20 0 BHADLO CCC[C@@H]([NH2+]CC(C)(F)F)c1ccsc1 ZINC000382177185 367493118 /nfs/dbraw/zinc/49/31/18/367493118.db2.gz YHBSGQORBWJSCH-SNVBAGLBSA-N 1 2 233.327 3.834 20 0 BHADLO Cc1cc(Cl)cc(C[NH2+]C2(C(F)F)CC2)c1 ZINC000382194204 397919124 /nfs/dbraw/zinc/91/91/24/397919124.db2.gz CSQGAKWQSAQSAQ-UHFFFAOYSA-N 1 2 245.700 3.536 20 0 BHADLO C[C@H](Nc1cccc[nH+]1)[C@@H]1CC2CCC1CC2 ZINC000382261905 367501945 /nfs/dbraw/zinc/50/19/45/367501945.db2.gz YCOUFTCOKLVDPT-ABXWRUBCSA-N 1 2 230.355 3.708 20 0 BHADLO C[C@@H](Nc1cccc[nH+]1)[C@H]1CC2CCC1CC2 ZINC000382261916 367501463 /nfs/dbraw/zinc/50/14/63/367501463.db2.gz YCOUFTCOKLVDPT-BLYZHGLHSA-N 1 2 230.355 3.708 20 0 BHADLO C[C@H](Nc1cccc[nH+]1)[C@H]1CC2CCC1CC2 ZINC000382261918 367501226 /nfs/dbraw/zinc/50/12/26/367501226.db2.gz YCOUFTCOKLVDPT-GFJIZPEISA-N 1 2 230.355 3.708 20 0 BHADLO C[C@@H](Nc1cccc[nH+]1)[C@@H]1CC2CCC1CC2 ZINC000382261920 367501728 /nfs/dbraw/zinc/50/17/28/367501728.db2.gz YCOUFTCOKLVDPT-RYSNWHEDSA-N 1 2 230.355 3.708 20 0 BHADLO CC(C)c1ccc(C[NH2+]CC(C)(F)F)cc1 ZINC000382331450 367509368 /nfs/dbraw/zinc/50/93/68/367509368.db2.gz WPARKKMAJFLGJN-UHFFFAOYSA-N 1 2 227.298 3.555 20 0 BHADLO CC(F)(F)C[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000382382272 347301051 /nfs/dbraw/zinc/30/10/51/347301051.db2.gz JUTLEOSWPXSIGT-LLVKDONJSA-N 1 2 245.700 3.572 20 0 BHADLO CC(F)(F)C[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000382382274 347301053 /nfs/dbraw/zinc/30/10/53/347301053.db2.gz JUTLEOSWPXSIGT-NSHDSACASA-N 1 2 245.700 3.572 20 0 BHADLO CCSc1cccc(C[NH2+]CC(C)(F)F)c1 ZINC000382427556 367520756 /nfs/dbraw/zinc/52/07/56/367520756.db2.gz YUEVVUWSIRQNNF-UHFFFAOYSA-N 1 2 245.338 3.543 20 0 BHADLO Cc1cc2[nH+]cn(CCSC(C)C)c2cc1C ZINC000383032976 367588515 /nfs/dbraw/zinc/58/85/15/367588515.db2.gz DPRRUAJLEUDJFO-UHFFFAOYSA-N 1 2 248.395 3.795 20 0 BHADLO Cc1cc([NH+](C)C)ccc1N[C@H](C)C1CCC1 ZINC000383147329 710977566 /nfs/dbraw/zinc/97/75/66/710977566.db2.gz ZABTVRKUIVJVAO-GFCCVEGCSA-N 1 2 232.371 3.662 20 0 BHADLO Cc1cc(N(C)C)ccc1[NH2+][C@H](C)C1CCC1 ZINC000383147329 710977563 /nfs/dbraw/zinc/97/75/63/710977563.db2.gz ZABTVRKUIVJVAO-GFCCVEGCSA-N 1 2 232.371 3.662 20 0 BHADLO Cc1cc([NH+](C)C)ccc1N[C@@H](C)C1CCC1 ZINC000383147338 710977824 /nfs/dbraw/zinc/97/78/24/710977824.db2.gz ZABTVRKUIVJVAO-LBPRGKRZSA-N 1 2 232.371 3.662 20 0 BHADLO Cc1cc(N(C)C)ccc1[NH2+][C@@H](C)C1CCC1 ZINC000383147338 710977820 /nfs/dbraw/zinc/97/78/20/710977820.db2.gz ZABTVRKUIVJVAO-LBPRGKRZSA-N 1 2 232.371 3.662 20 0 BHADLO C1=CC[C@@H](C[NH2+]c2ccc3c(c2)CCCO3)CC1 ZINC000383677597 710985588 /nfs/dbraw/zinc/98/55/88/710985588.db2.gz YAJHRBJBYKZSMV-CYBMUJFWSA-N 1 2 243.350 3.780 20 0 BHADLO C1=CC[C@H](C[NH2+]c2ccc3c(c2)CCCO3)CC1 ZINC000383677598 710985505 /nfs/dbraw/zinc/98/55/05/710985505.db2.gz YAJHRBJBYKZSMV-ZDUSSCGKSA-N 1 2 243.350 3.780 20 0 BHADLO CCc1cc(N[C@H](C)CCC(C)(C)C)nc[nH+]1 ZINC000386145098 362942807 /nfs/dbraw/zinc/94/28/07/362942807.db2.gz HQVUTHWHBSWUAM-LLVKDONJSA-N 1 2 235.375 3.666 20 0 BHADLO CCc1cc(N[C@@H](C)CCC(C)(C)C)nc[nH+]1 ZINC000386145101 362943698 /nfs/dbraw/zinc/94/36/98/362943698.db2.gz HQVUTHWHBSWUAM-NSHDSACASA-N 1 2 235.375 3.666 20 0 BHADLO CC1(CNc2ccc([NH+]3CCCC3)cc2)CCC1 ZINC000386482761 711030912 /nfs/dbraw/zinc/03/09/12/711030912.db2.gz IPQVQJYCKHNSFA-UHFFFAOYSA-N 1 2 244.382 3.889 20 0 BHADLO CC1(C[NH2+]c2ccc(N3CCCC3)cc2)CCC1 ZINC000386482761 711030906 /nfs/dbraw/zinc/03/09/06/711030906.db2.gz IPQVQJYCKHNSFA-UHFFFAOYSA-N 1 2 244.382 3.889 20 0 BHADLO CC[C@H]([NH2+]CC(F)F)c1ccc(Cl)s1 ZINC000389215332 539015744 /nfs/dbraw/zinc/01/57/44/539015744.db2.gz KDEULBPHFFAOJV-LURJTMIESA-N 1 2 239.718 3.707 20 0 BHADLO CC[C@@H]([NH2+]CC(F)F)c1ccc(Cl)s1 ZINC000389215355 539015376 /nfs/dbraw/zinc/01/53/76/539015376.db2.gz KDEULBPHFFAOJV-ZCFIWIBFSA-N 1 2 239.718 3.707 20 0 BHADLO CC(C)([NH2+]Cc1ccc(Cl)s1)C(F)F ZINC000389329367 539016041 /nfs/dbraw/zinc/01/60/41/539016041.db2.gz UKUGMOZKUMZBRU-UHFFFAOYSA-N 1 2 239.718 3.535 20 0 BHADLO Cc1ccsc1[C@@H](C)[NH2+][C@@H](C)C(C)(F)F ZINC000389433819 356670726 /nfs/dbraw/zinc/67/07/26/356670726.db2.gz AGISMFYJFGNRQJ-BDAKNGLRSA-N 1 2 233.327 3.751 20 0 BHADLO Cc1ccsc1[C@H](C)[NH2+][C@H](C)C(C)(F)F ZINC000389433820 356670665 /nfs/dbraw/zinc/67/06/65/356670665.db2.gz AGISMFYJFGNRQJ-DTWKUNHWSA-N 1 2 233.327 3.751 20 0 BHADLO Cc1ccsc1[C@H](C)[NH2+][C@@H](C)C(C)(F)F ZINC000389433821 356670899 /nfs/dbraw/zinc/67/08/99/356670899.db2.gz AGISMFYJFGNRQJ-IUCAKERBSA-N 1 2 233.327 3.751 20 0 BHADLO Cc1ccsc1[C@@H](C)[NH2+][C@H](C)C(C)(F)F ZINC000389433822 356670952 /nfs/dbraw/zinc/67/09/52/356670952.db2.gz AGISMFYJFGNRQJ-RKDXNWHRSA-N 1 2 233.327 3.751 20 0 BHADLO CC[C@H]([NH2+][C@H](C)C(C)(F)F)c1cccs1 ZINC000389435925 356670859 /nfs/dbraw/zinc/67/08/59/356670859.db2.gz COBYTZMISLAJFR-BDAKNGLRSA-N 1 2 233.327 3.833 20 0 BHADLO CC[C@@H]([NH2+][C@@H](C)C(C)(F)F)c1cccs1 ZINC000389435927 356670694 /nfs/dbraw/zinc/67/06/94/356670694.db2.gz COBYTZMISLAJFR-DTWKUNHWSA-N 1 2 233.327 3.833 20 0 BHADLO CC[C@H]([NH2+][C@@H](C)C(C)(F)F)c1cccs1 ZINC000389435928 356670676 /nfs/dbraw/zinc/67/06/76/356670676.db2.gz COBYTZMISLAJFR-IUCAKERBSA-N 1 2 233.327 3.833 20 0 BHADLO CC[C@@H]([NH2+][C@H](C)C(C)(F)F)c1cccs1 ZINC000389435929 356670659 /nfs/dbraw/zinc/67/06/59/356670659.db2.gz COBYTZMISLAJFR-RKDXNWHRSA-N 1 2 233.327 3.833 20 0 BHADLO CC[C@@H]([NH2+][C@H](C)C(C)(F)F)c1ccccc1F ZINC000389446112 356672129 /nfs/dbraw/zinc/67/21/29/356672129.db2.gz NIXDHKHONHHGSQ-BXKDBHETSA-N 1 2 245.288 3.910 20 0 BHADLO CC[C@H]([NH2+][C@@H](C)C(C)(F)F)c1ccccc1F ZINC000389446113 356672753 /nfs/dbraw/zinc/67/27/53/356672753.db2.gz NIXDHKHONHHGSQ-CABZTGNLSA-N 1 2 245.288 3.910 20 0 BHADLO CC[C@@H]([NH2+][C@@H](C)C(C)(F)F)c1ccccc1F ZINC000389446114 356672478 /nfs/dbraw/zinc/67/24/78/356672478.db2.gz NIXDHKHONHHGSQ-JOYOIKCWSA-N 1 2 245.288 3.910 20 0 BHADLO CC[C@H]([NH2+][C@H](C)C(C)(F)F)c1ccccc1F ZINC000389446115 356673293 /nfs/dbraw/zinc/67/32/93/356673293.db2.gz NIXDHKHONHHGSQ-SKDRFNHKSA-N 1 2 245.288 3.910 20 0 BHADLO CC[C@@H]([NH2+][C@H](C)C(C)(F)F)c1cccc(F)c1 ZINC000389448973 356673979 /nfs/dbraw/zinc/67/39/79/356673979.db2.gz QOMWZYLJQJLJAF-BXKDBHETSA-N 1 2 245.288 3.910 20 0 BHADLO CC[C@H]([NH2+][C@@H](C)C(C)(F)F)c1cccc(F)c1 ZINC000389448974 356673900 /nfs/dbraw/zinc/67/39/00/356673900.db2.gz QOMWZYLJQJLJAF-CABZTGNLSA-N 1 2 245.288 3.910 20 0 BHADLO CC[C@@H]([NH2+][C@@H](C)C(C)(F)F)c1cccc(F)c1 ZINC000389448975 356674329 /nfs/dbraw/zinc/67/43/29/356674329.db2.gz QOMWZYLJQJLJAF-JOYOIKCWSA-N 1 2 245.288 3.910 20 0 BHADLO CC[C@H]([NH2+][C@H](C)C(C)(F)F)c1cccc(F)c1 ZINC000389448976 356674518 /nfs/dbraw/zinc/67/45/18/356674518.db2.gz QOMWZYLJQJLJAF-SKDRFNHKSA-N 1 2 245.288 3.910 20 0 BHADLO CC[C@@H]([NH2+][C@H](C)C(C)(F)F)c1ccc(F)cc1 ZINC000389450178 356674949 /nfs/dbraw/zinc/67/49/49/356674949.db2.gz RVAZNLMTFHAERR-BXKDBHETSA-N 1 2 245.288 3.910 20 0 BHADLO CC[C@H]([NH2+][C@@H](C)C(C)(F)F)c1ccc(F)cc1 ZINC000389450179 356675218 /nfs/dbraw/zinc/67/52/18/356675218.db2.gz RVAZNLMTFHAERR-CABZTGNLSA-N 1 2 245.288 3.910 20 0 BHADLO CC[C@@H]([NH2+][C@@H](C)C(C)(F)F)c1ccc(F)cc1 ZINC000389450180 356674788 /nfs/dbraw/zinc/67/47/88/356674788.db2.gz RVAZNLMTFHAERR-JOYOIKCWSA-N 1 2 245.288 3.910 20 0 BHADLO CC[C@H]([NH2+][C@H](C)C(C)(F)F)c1ccc(F)cc1 ZINC000389450181 356674774 /nfs/dbraw/zinc/67/47/74/356674774.db2.gz RVAZNLMTFHAERR-SKDRFNHKSA-N 1 2 245.288 3.910 20 0 BHADLO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(C)(F)F)s1 ZINC000389457670 356678236 /nfs/dbraw/zinc/67/82/36/356678236.db2.gz ZNLAQOUASKFCEF-BDAKNGLRSA-N 1 2 233.327 3.751 20 0 BHADLO Cc1ccc([C@H](C)[NH2+][C@H](C)C(C)(F)F)s1 ZINC000389457671 356678382 /nfs/dbraw/zinc/67/83/82/356678382.db2.gz ZNLAQOUASKFCEF-DTWKUNHWSA-N 1 2 233.327 3.751 20 0 BHADLO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(C)(F)F)s1 ZINC000389457678 356678287 /nfs/dbraw/zinc/67/82/87/356678287.db2.gz ZNLAQOUASKFCEF-IUCAKERBSA-N 1 2 233.327 3.751 20 0 BHADLO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(C)(F)F)s1 ZINC000389457681 356678740 /nfs/dbraw/zinc/67/87/40/356678740.db2.gz ZNLAQOUASKFCEF-RKDXNWHRSA-N 1 2 233.327 3.751 20 0 BHADLO Cc1cccc([C@@H](C)[NH2+][C@H](C)C(C)(F)F)c1 ZINC000389458317 356678358 /nfs/dbraw/zinc/67/83/58/356678358.db2.gz CHQCUIDEFIIPJD-GHMZBOCLSA-N 1 2 227.298 3.689 20 0 BHADLO Cc1cccc([C@@H](C)[NH2+][C@@H](C)C(C)(F)F)c1 ZINC000389458322 356678641 /nfs/dbraw/zinc/67/86/41/356678641.db2.gz CHQCUIDEFIIPJD-MNOVXSKESA-N 1 2 227.298 3.689 20 0 BHADLO Cc1cccc([C@H](C)[NH2+][C@@H](C)C(C)(F)F)c1 ZINC000389458324 356678727 /nfs/dbraw/zinc/67/87/27/356678727.db2.gz CHQCUIDEFIIPJD-QWRGUYRKSA-N 1 2 227.298 3.689 20 0 BHADLO Cc1cccc([C@H](C)[NH2+][C@H](C)C(C)(F)F)c1 ZINC000389458327 356678542 /nfs/dbraw/zinc/67/85/42/356678542.db2.gz CHQCUIDEFIIPJD-WDEREUQCSA-N 1 2 227.298 3.689 20 0 BHADLO Cc1ccccc1[C@@H](C)[NH2+][C@H](C)C(C)(F)F ZINC000389461233 356680369 /nfs/dbraw/zinc/68/03/69/356680369.db2.gz FXJCHKQKDUFUSR-GHMZBOCLSA-N 1 2 227.298 3.689 20 0 BHADLO Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)C(C)(F)F ZINC000389461238 356680446 /nfs/dbraw/zinc/68/04/46/356680446.db2.gz FXJCHKQKDUFUSR-MNOVXSKESA-N 1 2 227.298 3.689 20 0 BHADLO Cc1ccccc1[C@H](C)[NH2+][C@@H](C)C(C)(F)F ZINC000389461243 356680662 /nfs/dbraw/zinc/68/06/62/356680662.db2.gz FXJCHKQKDUFUSR-QWRGUYRKSA-N 1 2 227.298 3.689 20 0 BHADLO Cc1ccccc1[C@H](C)[NH2+][C@H](C)C(C)(F)F ZINC000389461248 356680281 /nfs/dbraw/zinc/68/02/81/356680281.db2.gz FXJCHKQKDUFUSR-WDEREUQCSA-N 1 2 227.298 3.689 20 0 BHADLO C[C@@H]([NH2+][C@H](C)C(C)(F)F)c1ccc(F)c(F)c1 ZINC000389462254 356681561 /nfs/dbraw/zinc/68/15/61/356681561.db2.gz GXGBCZWLIFRXQC-HTQZYQBOSA-N 1 2 249.251 3.659 20 0 BHADLO C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)C(C)(F)F ZINC000389462255 356680953 /nfs/dbraw/zinc/68/09/53/356680953.db2.gz GXGBCZWLIFRXQC-JGVFFNPUSA-N 1 2 249.251 3.659 20 0 BHADLO C[C@@H]([NH2+][C@@H](C)C(C)(F)F)c1ccc(F)c(F)c1 ZINC000389462257 356681416 /nfs/dbraw/zinc/68/14/16/356681416.db2.gz GXGBCZWLIFRXQC-SFYZADRCSA-N 1 2 249.251 3.659 20 0 BHADLO C[C@H]([NH2+][C@@H](C)C(C)(F)F)c1ccc(F)c(F)c1 ZINC000389462260 356681046 /nfs/dbraw/zinc/68/10/46/356681046.db2.gz GXGBCZWLIFRXQC-YUMQZZPRSA-N 1 2 249.251 3.659 20 0 BHADLO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(C)(F)F)cc1 ZINC000389462651 356681216 /nfs/dbraw/zinc/68/12/16/356681216.db2.gz HHCSZZNGPWQBDF-GHMZBOCLSA-N 1 2 227.298 3.689 20 0 BHADLO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(C)(F)F)cc1 ZINC000389462652 356680968 /nfs/dbraw/zinc/68/09/68/356680968.db2.gz HHCSZZNGPWQBDF-MNOVXSKESA-N 1 2 227.298 3.689 20 0 BHADLO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(C)(F)F)cc1 ZINC000389462659 356681025 /nfs/dbraw/zinc/68/10/25/356681025.db2.gz HHCSZZNGPWQBDF-QWRGUYRKSA-N 1 2 227.298 3.689 20 0 BHADLO Cc1ccc([C@H](C)[NH2+][C@H](C)C(C)(F)F)cc1 ZINC000389462684 356681367 /nfs/dbraw/zinc/68/13/67/356681367.db2.gz HHCSZZNGPWQBDF-WDEREUQCSA-N 1 2 227.298 3.689 20 0 BHADLO Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)C(C)(F)F)CC2 ZINC000389464263 356678278 /nfs/dbraw/zinc/67/82/78/356678278.db2.gz IWDKUINDDJLZMU-GWCFXTLKSA-N 1 2 239.309 3.616 20 0 BHADLO Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)C(C)(F)F)CC2 ZINC000389464264 356678803 /nfs/dbraw/zinc/67/88/03/356678803.db2.gz IWDKUINDDJLZMU-GXFFZTMASA-N 1 2 239.309 3.616 20 0 BHADLO Cc1ccc2c(c1)[C@@H]([NH2+][C@H](C)C(C)(F)F)CC2 ZINC000389464267 356678557 /nfs/dbraw/zinc/67/85/57/356678557.db2.gz IWDKUINDDJLZMU-MFKMUULPSA-N 1 2 239.309 3.616 20 0 BHADLO Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)C(C)(F)F)CC2 ZINC000389464268 356678534 /nfs/dbraw/zinc/67/85/34/356678534.db2.gz IWDKUINDDJLZMU-ZWNOBZJWSA-N 1 2 239.309 3.616 20 0 BHADLO C[C@@H]([NH2+]Cc1coc2ccccc12)C(C)(F)F ZINC000389464955 356679845 /nfs/dbraw/zinc/67/98/45/356679845.db2.gz HZBJOVCVFXCYKC-SECBINFHSA-N 1 2 239.265 3.566 20 0 BHADLO C[C@H]([NH2+]Cc1coc2ccccc12)C(C)(F)F ZINC000389464969 356679898 /nfs/dbraw/zinc/67/98/98/356679898.db2.gz HZBJOVCVFXCYKC-VIFPVBQESA-N 1 2 239.265 3.566 20 0 BHADLO C[C@@H]([NH2+][C@H]1C[C@@H](C)c2ccccc21)C(C)(F)F ZINC000389467546 356682153 /nfs/dbraw/zinc/68/21/53/356682153.db2.gz KVKNNWONYBIIKP-BREBYQMCSA-N 1 2 239.309 3.868 20 0 BHADLO C[C@H]([NH2+][C@@H]1C[C@@H](C)c2ccccc21)C(C)(F)F ZINC000389467547 356682215 /nfs/dbraw/zinc/68/22/15/356682215.db2.gz KVKNNWONYBIIKP-GBIKHYSHSA-N 1 2 239.309 3.868 20 0 BHADLO C[C@@H]([NH2+][C@@H]1C[C@@H](C)c2ccccc21)C(C)(F)F ZINC000389467548 356682045 /nfs/dbraw/zinc/68/20/45/356682045.db2.gz KVKNNWONYBIIKP-GIPNMCIBSA-N 1 2 239.309 3.868 20 0 BHADLO C[C@H]([NH2+][C@H]1C[C@@H](C)c2ccccc21)C(C)(F)F ZINC000389467549 356682176 /nfs/dbraw/zinc/68/21/76/356682176.db2.gz KVKNNWONYBIIKP-NRUUGDAUSA-N 1 2 239.309 3.868 20 0 BHADLO C[C@@H]([NH2+][C@H](C)C(C)(F)F)c1cc(F)cc(F)c1 ZINC000389467652 356681959 /nfs/dbraw/zinc/68/19/59/356681959.db2.gz MOEJBQSBZUJGRS-HTQZYQBOSA-N 1 2 249.251 3.659 20 0 BHADLO C[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1)C(C)(F)F ZINC000389467658 356682161 /nfs/dbraw/zinc/68/21/61/356682161.db2.gz MOEJBQSBZUJGRS-JGVFFNPUSA-N 1 2 249.251 3.659 20 0 BHADLO C[C@@H]([NH2+][C@@H](C)C(C)(F)F)c1cc(F)cc(F)c1 ZINC000389467666 356682030 /nfs/dbraw/zinc/68/20/30/356682030.db2.gz MOEJBQSBZUJGRS-SFYZADRCSA-N 1 2 249.251 3.659 20 0 BHADLO C[C@H]([NH2+][C@@H](C)C(C)(F)F)c1cc(F)cc(F)c1 ZINC000389467669 356682008 /nfs/dbraw/zinc/68/20/08/356682008.db2.gz MOEJBQSBZUJGRS-YUMQZZPRSA-N 1 2 249.251 3.659 20 0 BHADLO C[C@H]([NH2+]Cc1ccc(C2CC2)cc1)C(C)(F)F ZINC000389468189 356682058 /nfs/dbraw/zinc/68/20/58/356682058.db2.gz NATOIRQNEAHKCO-JTQLQIEISA-N 1 2 239.309 3.697 20 0 BHADLO C[C@@H]([NH2+]Cc1ccc(C2CC2)cc1)C(C)(F)F ZINC000389468190 356682377 /nfs/dbraw/zinc/68/23/77/356682377.db2.gz NATOIRQNEAHKCO-SNVBAGLBSA-N 1 2 239.309 3.697 20 0 BHADLO CC[C@@H]([NH2+][C@@H](C)C(C)(F)F)c1ccccc1 ZINC000389468625 356682349 /nfs/dbraw/zinc/68/23/49/356682349.db2.gz NJBJEDMTGWZDBR-CMPLNLGQSA-N 1 2 227.298 3.771 20 0 BHADLO CC[C@H]([NH2+][C@@H](C)C(C)(F)F)c1ccccc1 ZINC000389468626 356682270 /nfs/dbraw/zinc/68/22/70/356682270.db2.gz NJBJEDMTGWZDBR-JQWIXIFHSA-N 1 2 227.298 3.771 20 0 BHADLO CC[C@H]([NH2+][C@H](C)C(C)(F)F)c1ccccc1 ZINC000389468628 356682427 /nfs/dbraw/zinc/68/24/27/356682427.db2.gz NJBJEDMTGWZDBR-PWSUYJOCSA-N 1 2 227.298 3.771 20 0 BHADLO CC[C@@H]([NH2+][C@H](C)C(C)(F)F)c1ccccc1 ZINC000389468629 356682117 /nfs/dbraw/zinc/68/21/17/356682117.db2.gz NJBJEDMTGWZDBR-ZYHUDNBSSA-N 1 2 227.298 3.771 20 0 BHADLO C[C@@H]([NH2+][C@@H]1CCCc2sccc21)C(C)(F)F ZINC000389468811 356682040 /nfs/dbraw/zinc/68/20/40/356682040.db2.gz MEWXGUYIGWEPTC-PSASIEDQSA-N 1 2 245.338 3.759 20 0 BHADLO C[C@@H]([NH2+][C@H]1CCCc2sccc21)C(C)(F)F ZINC000389468813 356682285 /nfs/dbraw/zinc/68/22/85/356682285.db2.gz MEWXGUYIGWEPTC-SCZZXKLOSA-N 1 2 245.338 3.759 20 0 BHADLO C[C@H]([NH2+][C@@H]1CCCc2sccc21)C(C)(F)F ZINC000389468817 356682089 /nfs/dbraw/zinc/68/20/89/356682089.db2.gz MEWXGUYIGWEPTC-WCBMZHEXSA-N 1 2 245.338 3.759 20 0 BHADLO C[C@H]([NH2+][C@H]1CCCc2sccc21)C(C)(F)F ZINC000389468820 356682513 /nfs/dbraw/zinc/68/25/13/356682513.db2.gz MEWXGUYIGWEPTC-WPRPVWTQSA-N 1 2 245.338 3.759 20 0 BHADLO CSc1ccc(C[NH2+][C@H](C)C(C)(F)F)cc1 ZINC000389469224 356683652 /nfs/dbraw/zinc/68/36/52/356683652.db2.gz MHWKVTXNNOHEFQ-SECBINFHSA-N 1 2 245.338 3.542 20 0 BHADLO CSc1ccc(C[NH2+][C@@H](C)C(C)(F)F)cc1 ZINC000389469226 356683899 /nfs/dbraw/zinc/68/38/99/356683899.db2.gz MHWKVTXNNOHEFQ-VIFPVBQESA-N 1 2 245.338 3.542 20 0 BHADLO C[C@@H]([NH2+]Cc1ccc(C(F)F)cc1)C(C)(F)F ZINC000389469326 356684208 /nfs/dbraw/zinc/68/42/08/356684208.db2.gz OJTMPNNIYCUIRO-MRVPVSSYSA-N 1 2 249.251 3.758 20 0 BHADLO C[C@H]([NH2+]Cc1ccc(C(F)F)cc1)C(C)(F)F ZINC000389469327 356683708 /nfs/dbraw/zinc/68/37/08/356683708.db2.gz OJTMPNNIYCUIRO-QMMMGPOBSA-N 1 2 249.251 3.758 20 0 BHADLO C[C@H]([NH2+]Cc1ccc(Cl)s1)C(C)(F)F ZINC000389469782 356684395 /nfs/dbraw/zinc/68/43/95/356684395.db2.gz NEFHDFWYHIRVRU-LURJTMIESA-N 1 2 239.718 3.535 20 0 BHADLO C[C@@H]([NH2+]Cc1ccc(Cl)s1)C(C)(F)F ZINC000389469784 356683666 /nfs/dbraw/zinc/68/36/66/356683666.db2.gz NEFHDFWYHIRVRU-ZCFIWIBFSA-N 1 2 239.718 3.535 20 0 BHADLO C[C@H]([NH2+]Cc1cccc(C2CC2)c1)C(C)(F)F ZINC000389475401 356685164 /nfs/dbraw/zinc/68/51/64/356685164.db2.gz YKDVHVUBMPJGHL-JTQLQIEISA-N 1 2 239.309 3.697 20 0 BHADLO C[C@@H]([NH2+]Cc1cccc(C2CC2)c1)C(C)(F)F ZINC000389475403 356685223 /nfs/dbraw/zinc/68/52/23/356685223.db2.gz YKDVHVUBMPJGHL-SNVBAGLBSA-N 1 2 239.309 3.697 20 0 BHADLO C[C@@H]([NH2+][C@@H](C)C(C)(F)F)c1ccccc1F ZINC000389477116 356684913 /nfs/dbraw/zinc/68/49/13/356684913.db2.gz AJEFHCWVORSSIT-BDAKNGLRSA-N 1 2 231.261 3.520 20 0 BHADLO C[C@@H]([NH2+][C@@H](C)c1ccccc1F)C(C)(F)F ZINC000389477117 356685073 /nfs/dbraw/zinc/68/50/73/356685073.db2.gz AJEFHCWVORSSIT-DTWKUNHWSA-N 1 2 231.261 3.520 20 0 BHADLO C[C@H]([NH2+][C@@H](C)C(C)(F)F)c1ccccc1F ZINC000389477118 356684720 /nfs/dbraw/zinc/68/47/20/356684720.db2.gz AJEFHCWVORSSIT-IUCAKERBSA-N 1 2 231.261 3.520 20 0 BHADLO C[C@@H]([NH2+][C@H](C)C(C)(F)F)c1ccccc1F ZINC000389477119 356684825 /nfs/dbraw/zinc/68/48/25/356684825.db2.gz AJEFHCWVORSSIT-RKDXNWHRSA-N 1 2 231.261 3.520 20 0 BHADLO Cc1cc([C@@H](C)[NH2+][C@H](C)C(C)(F)F)c(C)o1 ZINC000389479174 356685974 /nfs/dbraw/zinc/68/59/74/356685974.db2.gz CYTSNSOVMIZTEE-PSASIEDQSA-N 1 2 231.286 3.591 20 0 BHADLO Cc1cc([C@@H](C)[NH2+][C@@H](C)C(C)(F)F)c(C)o1 ZINC000389479175 356686246 /nfs/dbraw/zinc/68/62/46/356686246.db2.gz CYTSNSOVMIZTEE-SCZZXKLOSA-N 1 2 231.286 3.591 20 0 BHADLO Cc1cc([C@H](C)[NH2+][C@H](C)C(C)(F)F)c(C)o1 ZINC000389479176 356685930 /nfs/dbraw/zinc/68/59/30/356685930.db2.gz CYTSNSOVMIZTEE-WCBMZHEXSA-N 1 2 231.286 3.591 20 0 BHADLO Cc1cc([C@H](C)[NH2+][C@@H](C)C(C)(F)F)c(C)o1 ZINC000389479177 356686024 /nfs/dbraw/zinc/68/60/24/356686024.db2.gz CYTSNSOVMIZTEE-WPRPVWTQSA-N 1 2 231.286 3.591 20 0 BHADLO C[C@@H]([NH2+][C@@H](C)C(C)(F)F)c1cccc(F)c1 ZINC000389480016 356687931 /nfs/dbraw/zinc/68/79/31/356687931.db2.gz DXTIAGJQFJTORJ-BDAKNGLRSA-N 1 2 231.261 3.520 20 0 BHADLO C[C@@H]([NH2+][C@@H](C)c1cccc(F)c1)C(C)(F)F ZINC000389480024 356687989 /nfs/dbraw/zinc/68/79/89/356687989.db2.gz DXTIAGJQFJTORJ-DTWKUNHWSA-N 1 2 231.261 3.520 20 0 BHADLO C[C@H]([NH2+][C@@H](C)C(C)(F)F)c1cccc(F)c1 ZINC000389480025 356687612 /nfs/dbraw/zinc/68/76/12/356687612.db2.gz DXTIAGJQFJTORJ-IUCAKERBSA-N 1 2 231.261 3.520 20 0 BHADLO C[C@@H]([NH2+][C@H](C)C(C)(F)F)c1cccc(F)c1 ZINC000389480026 356688150 /nfs/dbraw/zinc/68/81/50/356688150.db2.gz DXTIAGJQFJTORJ-RKDXNWHRSA-N 1 2 231.261 3.520 20 0 BHADLO C[C@H]([NH2+]Cc1cc(Cl)cs1)C(C)(F)F ZINC000389481223 356687963 /nfs/dbraw/zinc/68/79/63/356687963.db2.gz VLMDORVINRRMDY-LURJTMIESA-N 1 2 239.718 3.535 20 0 BHADLO C[C@@H]([NH2+]Cc1cc(Cl)cs1)C(C)(F)F ZINC000389481224 356688144 /nfs/dbraw/zinc/68/81/44/356688144.db2.gz VLMDORVINRRMDY-ZCFIWIBFSA-N 1 2 239.718 3.535 20 0 BHADLO Cc1cc([C@@H](C)[NH2+][C@@H](C)C(C)(F)F)cs1 ZINC000389482305 356689224 /nfs/dbraw/zinc/68/92/24/356689224.db2.gz HMNNPHIVCPHKLY-BDAKNGLRSA-N 1 2 233.327 3.751 20 0 BHADLO Cc1cc([C@H](C)[NH2+][C@H](C)C(C)(F)F)cs1 ZINC000389482307 356688984 /nfs/dbraw/zinc/68/89/84/356688984.db2.gz HMNNPHIVCPHKLY-DTWKUNHWSA-N 1 2 233.327 3.751 20 0 BHADLO Cc1cc([C@H](C)[NH2+][C@@H](C)C(C)(F)F)cs1 ZINC000389482308 356689172 /nfs/dbraw/zinc/68/91/72/356689172.db2.gz HMNNPHIVCPHKLY-IUCAKERBSA-N 1 2 233.327 3.751 20 0 BHADLO Cc1cc([C@@H](C)[NH2+][C@H](C)C(C)(F)F)cs1 ZINC000389482310 356689087 /nfs/dbraw/zinc/68/90/87/356689087.db2.gz HMNNPHIVCPHKLY-RKDXNWHRSA-N 1 2 233.327 3.751 20 0 BHADLO C[C@@H]([NH2+]Cc1cc2ccccc2o1)C(C)(F)F ZINC000389482557 356688783 /nfs/dbraw/zinc/68/87/83/356688783.db2.gz XKECBCGIAAIRMO-SECBINFHSA-N 1 2 239.265 3.566 20 0 BHADLO C[C@H]([NH2+]Cc1cc2ccccc2o1)C(C)(F)F ZINC000389482558 356689008 /nfs/dbraw/zinc/68/90/08/356689008.db2.gz XKECBCGIAAIRMO-VIFPVBQESA-N 1 2 239.265 3.566 20 0 BHADLO CC[C@@H]([NH2+][C@H](C)C(C)(F)F)c1ccsc1 ZINC000389489926 356693121 /nfs/dbraw/zinc/69/31/21/356693121.db2.gz QWJMRBGZZRDSOV-PSASIEDQSA-N 1 2 233.327 3.833 20 0 BHADLO CC[C@H]([NH2+][C@H](C)C(C)(F)F)c1ccsc1 ZINC000389489927 356693741 /nfs/dbraw/zinc/69/37/41/356693741.db2.gz QWJMRBGZZRDSOV-SCZZXKLOSA-N 1 2 233.327 3.833 20 0 BHADLO CC[C@@H]([NH2+][C@@H](C)C(C)(F)F)c1ccsc1 ZINC000389489928 356693425 /nfs/dbraw/zinc/69/34/25/356693425.db2.gz QWJMRBGZZRDSOV-WCBMZHEXSA-N 1 2 233.327 3.833 20 0 BHADLO CC[C@H]([NH2+][C@@H](C)C(C)(F)F)c1ccsc1 ZINC000389489949 358426500 /nfs/dbraw/zinc/42/65/00/358426500.db2.gz QWJMRBGZZRDSOV-WPRPVWTQSA-N 1 2 233.327 3.833 20 0 BHADLO C[C@H]([NH2+]Cc1sccc1Cl)C(C)(F)F ZINC000389490639 356693655 /nfs/dbraw/zinc/69/36/55/356693655.db2.gz RMULKFSAYBYRDE-LURJTMIESA-N 1 2 239.718 3.535 20 0 BHADLO C[C@@H]([NH2+]Cc1sccc1Cl)C(C)(F)F ZINC000389490641 356693462 /nfs/dbraw/zinc/69/34/62/356693462.db2.gz RMULKFSAYBYRDE-ZCFIWIBFSA-N 1 2 239.718 3.535 20 0 BHADLO C[C@@H]([NH2+][C@@H](C)C(C)(F)F)c1ccc(F)cc1 ZINC000389492107 356693721 /nfs/dbraw/zinc/69/37/21/356693721.db2.gz UFYUMSVIJRJELA-BDAKNGLRSA-N 1 2 231.261 3.520 20 0 BHADLO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1)C(C)(F)F ZINC000389492108 356693389 /nfs/dbraw/zinc/69/33/89/356693389.db2.gz UFYUMSVIJRJELA-DTWKUNHWSA-N 1 2 231.261 3.520 20 0 BHADLO C[C@H]([NH2+][C@@H](C)C(C)(F)F)c1ccc(F)cc1 ZINC000389492110 356693294 /nfs/dbraw/zinc/69/32/94/356693294.db2.gz UFYUMSVIJRJELA-IUCAKERBSA-N 1 2 231.261 3.520 20 0 BHADLO C[C@@H]([NH2+][C@H](C)C(C)(F)F)c1ccc(F)cc1 ZINC000389492112 356693286 /nfs/dbraw/zinc/69/32/86/356693286.db2.gz UFYUMSVIJRJELA-RKDXNWHRSA-N 1 2 231.261 3.520 20 0 BHADLO COc1cc([NH2+]CC2CCCCCC2)ccc1N ZINC000389555991 711080103 /nfs/dbraw/zinc/08/01/03/711080103.db2.gz VAZYPCMUUKOXJI-UHFFFAOYSA-N 1 2 248.370 3.660 20 0 BHADLO CCCCC[NH2+][C@H](C(C)(C)C)C(F)(F)F ZINC000389889273 357062362 /nfs/dbraw/zinc/06/23/62/357062362.db2.gz URJCROAGARSGRU-SECBINFHSA-N 1 2 225.298 3.743 20 0 BHADLO CCCCC[NH2+][C@@H](C(C)(C)C)C(F)(F)F ZINC000389889274 357062310 /nfs/dbraw/zinc/06/23/10/357062310.db2.gz URJCROAGARSGRU-VIFPVBQESA-N 1 2 225.298 3.743 20 0 BHADLO CCC(CC)C[NH2+][C@@H](C(C)C)C(F)(F)F ZINC000389904591 357064877 /nfs/dbraw/zinc/06/48/77/357064877.db2.gz GHAPKKJJBIKDAP-JTQLQIEISA-N 1 2 225.298 3.599 20 0 BHADLO C[C@@H]([NH2+]Cc1csc2ccccc12)C(F)F ZINC000389910552 398148619 /nfs/dbraw/zinc/14/86/19/398148619.db2.gz JKAYAFSTUSQHOG-MRVPVSSYSA-N 1 2 241.306 3.645 20 0 BHADLO C[C@H]([NH2+]Cc1csc2ccccc12)C(F)F ZINC000389910589 398148667 /nfs/dbraw/zinc/14/86/67/398148667.db2.gz JKAYAFSTUSQHOG-QMMMGPOBSA-N 1 2 241.306 3.645 20 0 BHADLO CCc1ccc([C@@H](C)[NH2+][C@H](C)C(F)F)s1 ZINC000389920013 398149464 /nfs/dbraw/zinc/14/94/64/398149464.db2.gz PVIROJAZVIBRDU-HTQZYQBOSA-N 1 2 233.327 3.615 20 0 BHADLO CCc1ccc([C@H](C)[NH2+][C@H](C)C(F)F)s1 ZINC000389920015 398149223 /nfs/dbraw/zinc/14/92/23/398149223.db2.gz PVIROJAZVIBRDU-JGVFFNPUSA-N 1 2 233.327 3.615 20 0 BHADLO CCc1ccc([C@@H](C)[NH2+][C@@H](C)C(F)F)s1 ZINC000389920016 398149507 /nfs/dbraw/zinc/14/95/07/398149507.db2.gz PVIROJAZVIBRDU-SFYZADRCSA-N 1 2 233.327 3.615 20 0 BHADLO CCc1ccc([C@H](C)[NH2+][C@@H](C)C(F)F)s1 ZINC000389920017 398149446 /nfs/dbraw/zinc/14/94/46/398149446.db2.gz PVIROJAZVIBRDU-YUMQZZPRSA-N 1 2 233.327 3.615 20 0 BHADLO CC[C@@H]([NH2+][C@@H](C)C(F)F)c1cccc(F)c1 ZINC000389927819 398150170 /nfs/dbraw/zinc/15/01/70/398150170.db2.gz FQIDLHZNCOJGPG-GZMMTYOYSA-N 1 2 231.261 3.520 20 0 BHADLO CC[C@H]([NH2+][C@H](C)C(F)F)c1cccc(F)c1 ZINC000389927820 398150255 /nfs/dbraw/zinc/15/02/55/398150255.db2.gz FQIDLHZNCOJGPG-KCJUWKMLSA-N 1 2 231.261 3.520 20 0 BHADLO CC[C@H]([NH2+][C@@H](C)C(F)F)c1cccc(F)c1 ZINC000389927821 398150120 /nfs/dbraw/zinc/15/01/20/398150120.db2.gz FQIDLHZNCOJGPG-KWQFWETISA-N 1 2 231.261 3.520 20 0 BHADLO CC[C@@H]([NH2+][C@H](C)C(F)F)c1cccc(F)c1 ZINC000389927822 398150104 /nfs/dbraw/zinc/15/01/04/398150104.db2.gz FQIDLHZNCOJGPG-LDYMZIIASA-N 1 2 231.261 3.520 20 0 BHADLO CC[C@@H]([NH2+][C@@H](C)C(F)F)c1ccccc1F ZINC000389931842 490275218 /nfs/dbraw/zinc/27/52/18/490275218.db2.gz JEZMJNTWYSEKJN-GZMMTYOYSA-N 1 2 231.261 3.520 20 0 BHADLO CC[C@H]([NH2+][C@H](C)C(F)F)c1ccccc1F ZINC000389931845 490275266 /nfs/dbraw/zinc/27/52/66/490275266.db2.gz JEZMJNTWYSEKJN-KCJUWKMLSA-N 1 2 231.261 3.520 20 0 BHADLO CC[C@H]([NH2+][C@@H](C)C(F)F)c1ccccc1F ZINC000389931847 490275284 /nfs/dbraw/zinc/27/52/84/490275284.db2.gz JEZMJNTWYSEKJN-KWQFWETISA-N 1 2 231.261 3.520 20 0 BHADLO CC[C@@H]([NH2+][C@H](C)C(F)F)c1ccccc1F ZINC000389931850 490275225 /nfs/dbraw/zinc/27/52/25/490275225.db2.gz JEZMJNTWYSEKJN-LDYMZIIASA-N 1 2 231.261 3.520 20 0 BHADLO C[C@@H]([NH2+][C@@H](C)c1csc(Cl)c1)C(F)F ZINC000389939836 398153268 /nfs/dbraw/zinc/15/32/68/398153268.db2.gz PSIJWJQTIZFGSA-NTSWFWBYSA-N 1 2 239.718 3.706 20 0 BHADLO C[C@@H]([NH2+][C@H](C)C(F)F)c1csc(Cl)c1 ZINC000389939838 398153275 /nfs/dbraw/zinc/15/32/75/398153275.db2.gz PSIJWJQTIZFGSA-PHDIDXHHSA-N 1 2 239.718 3.706 20 0 BHADLO C[C@@H]([NH2+][C@@H](C)C(F)F)c1csc(Cl)c1 ZINC000389939840 398153356 /nfs/dbraw/zinc/15/33/56/398153356.db2.gz PSIJWJQTIZFGSA-RITPCOANSA-N 1 2 239.718 3.706 20 0 BHADLO C[C@H]([NH2+][C@@H](C)C(F)F)c1csc(Cl)c1 ZINC000389939841 398153205 /nfs/dbraw/zinc/15/32/05/398153205.db2.gz PSIJWJQTIZFGSA-WDSKDSINSA-N 1 2 239.718 3.706 20 0 BHADLO CCCC[C@H](C)[C@@H](C)[NH2+][C@@H](C)C(F)(F)F ZINC000389945539 357072858 /nfs/dbraw/zinc/07/28/58/357072858.db2.gz QLJUZENNXTYAAU-AEJSXWLSSA-N 1 2 225.298 3.742 20 0 BHADLO CCCC[C@H](C)[C@H](C)[NH2+][C@@H](C)C(F)(F)F ZINC000389945540 357073082 /nfs/dbraw/zinc/07/30/82/357073082.db2.gz QLJUZENNXTYAAU-GUBZILKMSA-N 1 2 225.298 3.742 20 0 BHADLO CCCC[C@H](C)[C@@H](C)[NH2+][C@H](C)C(F)(F)F ZINC000389945541 357072873 /nfs/dbraw/zinc/07/28/73/357072873.db2.gz QLJUZENNXTYAAU-IVZWLZJFSA-N 1 2 225.298 3.742 20 0 BHADLO CCCC[C@H](C)[C@H](C)[NH2+][C@H](C)C(F)(F)F ZINC000389945542 357073236 /nfs/dbraw/zinc/07/32/36/357073236.db2.gz QLJUZENNXTYAAU-LPEHRKFASA-N 1 2 225.298 3.742 20 0 BHADLO CCCC[C@H](C)[NH2+][C@@H](C(C)C)C(F)(F)F ZINC000389979711 357077540 /nfs/dbraw/zinc/07/75/40/357077540.db2.gz HTTDGDZKVSICKT-UWVGGRQHSA-N 1 2 225.298 3.742 20 0 BHADLO CCCC[C@@H](C)[NH2+][C@@H](C(C)C)C(F)(F)F ZINC000389979712 357077493 /nfs/dbraw/zinc/07/74/93/357077493.db2.gz HTTDGDZKVSICKT-ZJUUUORDSA-N 1 2 225.298 3.742 20 0 BHADLO CC(C)(C)CCCCNc1cccc[nH+]1 ZINC000390000851 323082883 /nfs/dbraw/zinc/08/28/83/323082883.db2.gz STXBZGDSDJVONA-UHFFFAOYSA-N 1 2 206.333 3.710 20 0 BHADLO CC(C)[C@H]([NH2+]C[C@H](C)C(C)(C)C)C(F)(F)F ZINC000390152874 488138561 /nfs/dbraw/zinc/13/85/61/488138561.db2.gz VCDHTEKYWSTDBB-UWVGGRQHSA-N 1 2 239.325 3.845 20 0 BHADLO CC(C)[C@H]([NH2+]C[C@@H](C)C(C)(C)C)C(F)(F)F ZINC000390152878 488138502 /nfs/dbraw/zinc/13/85/02/488138502.db2.gz VCDHTEKYWSTDBB-ZJUUUORDSA-N 1 2 239.325 3.845 20 0 BHADLO CC(C)(C)CC[NH2+][C@H](C(C)(C)C)C(F)(F)F ZINC000390189758 344970060 /nfs/dbraw/zinc/97/00/60/344970060.db2.gz MUKVZRXUZRFVDC-SECBINFHSA-N 1 2 239.325 3.989 20 0 BHADLO CC(C)(C)CC[NH2+][C@@H](C(C)(C)C)C(F)(F)F ZINC000390189759 357086047 /nfs/dbraw/zinc/08/60/47/357086047.db2.gz MUKVZRXUZRFVDC-VIFPVBQESA-N 1 2 239.325 3.989 20 0 BHADLO CC(C)C[C@@H](C)C[NH2+][C@@H](C(C)C)C(F)(F)F ZINC000390291342 259385099 /nfs/dbraw/zinc/38/50/99/259385099.db2.gz YYEZXHUNOXTOFO-MNOVXSKESA-N 1 2 239.325 3.845 20 0 BHADLO CC(C)C[C@H](C)C[NH2+][C@@H](C(C)C)C(F)(F)F ZINC000390291344 259385157 /nfs/dbraw/zinc/38/51/57/259385157.db2.gz YYEZXHUNOXTOFO-QWRGUYRKSA-N 1 2 239.325 3.845 20 0 BHADLO CC(C)[C@H]([NH2+][C@@H]1CCC[C@H](C)C1)C(F)(F)F ZINC000390303822 259385305 /nfs/dbraw/zinc/38/53/05/259385305.db2.gz DDSGEKJSWQQRAK-AXFHLTTASA-N 1 2 237.309 3.742 20 0 BHADLO CC(C)[C@H]([NH2+][C@H]1CCC[C@H](C)C1)C(F)(F)F ZINC000390303823 259385294 /nfs/dbraw/zinc/38/52/94/259385294.db2.gz DDSGEKJSWQQRAK-DCAQKATOSA-N 1 2 237.309 3.742 20 0 BHADLO CC(C)[C@H]([NH2+][C@@H]1CCC[C@@H](C)C1)C(F)(F)F ZINC000390303824 259385265 /nfs/dbraw/zinc/38/52/65/259385265.db2.gz DDSGEKJSWQQRAK-MXWKQRLJSA-N 1 2 237.309 3.742 20 0 BHADLO CC(C)[C@H]([NH2+][C@H]1CCC[C@@H](C)C1)C(F)(F)F ZINC000390303825 259385277 /nfs/dbraw/zinc/38/52/77/259385277.db2.gz DDSGEKJSWQQRAK-VWYCJHECSA-N 1 2 237.309 3.742 20 0 BHADLO CC[C@@](C)([NH2+]CCC1CCCC1)C(F)(F)F ZINC000390402296 357096659 /nfs/dbraw/zinc/09/66/59/357096659.db2.gz AHPVHBLXBICWTM-LLVKDONJSA-N 1 2 237.309 3.887 20 0 BHADLO CC[C@](C)([NH2+]CCC1CCCC1)C(F)(F)F ZINC000390402298 357096978 /nfs/dbraw/zinc/09/69/78/357096978.db2.gz AHPVHBLXBICWTM-NSHDSACASA-N 1 2 237.309 3.887 20 0 BHADLO CC[C@H]([NH2+][C@H]1CCCC(C)(C)C1)C(F)(F)F ZINC000390440881 259388549 /nfs/dbraw/zinc/38/85/49/259388549.db2.gz VGJKLISUPJJYJT-UWVGGRQHSA-N 1 2 237.309 3.886 20 0 BHADLO CC[C@H]([NH2+][C@@H]1CCCC(C)(C)C1)C(F)(F)F ZINC000390440882 259388624 /nfs/dbraw/zinc/38/86/24/259388624.db2.gz VGJKLISUPJJYJT-ZJUUUORDSA-N 1 2 237.309 3.886 20 0 BHADLO CC[C@H]([NH2+]C[C@@H]1CCC[C@H](C)C1)C(F)(F)F ZINC000390454686 259389635 /nfs/dbraw/zinc/38/96/35/259389635.db2.gz BUGIFUYJROTMOO-AXFHLTTASA-N 1 2 237.309 3.743 20 0 BHADLO CC[C@H]([NH2+]C[C@H]1CCC[C@H](C)C1)C(F)(F)F ZINC000390454689 259389865 /nfs/dbraw/zinc/38/98/65/259389865.db2.gz BUGIFUYJROTMOO-DCAQKATOSA-N 1 2 237.309 3.743 20 0 BHADLO CC[C@H]([NH2+]C[C@@H]1CCC[C@@H](C)C1)C(F)(F)F ZINC000390454691 259389875 /nfs/dbraw/zinc/38/98/75/259389875.db2.gz BUGIFUYJROTMOO-MXWKQRLJSA-N 1 2 237.309 3.743 20 0 BHADLO CC[C@H]([NH2+]C[C@H]1CCC[C@@H](C)C1)C(F)(F)F ZINC000390454693 259389655 /nfs/dbraw/zinc/38/96/55/259389655.db2.gz BUGIFUYJROTMOO-VWYCJHECSA-N 1 2 237.309 3.743 20 0 BHADLO Cc1cc[nH+]c(N[C@@H]2CCC(F)(F)C2)c1Cl ZINC000390485040 539022585 /nfs/dbraw/zinc/02/25/85/539022585.db2.gz OGWFTZUZFZIOAG-MRVPVSSYSA-N 1 2 246.688 3.643 20 0 BHADLO Cc1cc[nH+]c(N[C@H]2CCC(F)(F)C2)c1Cl ZINC000390485041 537795345 /nfs/dbraw/zinc/79/53/45/537795345.db2.gz OGWFTZUZFZIOAG-QMMMGPOBSA-N 1 2 246.688 3.643 20 0 BHADLO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCC2(F)F)s1 ZINC000390499939 539022654 /nfs/dbraw/zinc/02/26/54/539022654.db2.gz UFZZITWZCHWOKW-GXSJLCMTSA-N 1 2 245.338 3.895 20 0 BHADLO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCC2(F)F)s1 ZINC000390499941 539022543 /nfs/dbraw/zinc/02/25/43/539022543.db2.gz UFZZITWZCHWOKW-KOLCDFICSA-N 1 2 245.338 3.895 20 0 BHADLO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCC2(F)F)s1 ZINC000390499943 539022597 /nfs/dbraw/zinc/02/25/97/539022597.db2.gz UFZZITWZCHWOKW-MWLCHTKSSA-N 1 2 245.338 3.895 20 0 BHADLO Cc1ccc([C@H](C)[NH2+][C@H]2CCCC2(F)F)s1 ZINC000390499945 539022709 /nfs/dbraw/zinc/02/27/09/539022709.db2.gz UFZZITWZCHWOKW-ONGXEEELSA-N 1 2 245.338 3.895 20 0 BHADLO Cc1cc(C[NH2+]C(C)(C)C(F)F)ccc1Cl ZINC000390508459 539022532 /nfs/dbraw/zinc/02/25/32/539022532.db2.gz YJTDEDNFIQCLQZ-UHFFFAOYSA-N 1 2 247.716 3.782 20 0 BHADLO COc1cc(C)ccc1[NH2+]CCCCCF ZINC000390508899 259391279 /nfs/dbraw/zinc/39/12/79/259391279.db2.gz YNKUKQCJLQFXSV-UHFFFAOYSA-N 1 2 225.307 3.555 20 0 BHADLO CCC(CC)C[NH2+][C@@H](C(C)(C)C)C(F)(F)F ZINC000390513258 539025999 /nfs/dbraw/zinc/02/59/99/539025999.db2.gz CGVZRJPWOSYLCQ-JTQLQIEISA-N 1 2 239.325 3.989 20 0 BHADLO CCC(CC)C[NH2+][C@H](C(C)(C)C)C(F)(F)F ZINC000390513259 538048202 /nfs/dbraw/zinc/04/82/02/538048202.db2.gz CGVZRJPWOSYLCQ-SNVBAGLBSA-N 1 2 239.325 3.989 20 0 BHADLO CC[C@H]([NH2+][C@@H]1CC(C)(C)C[C@@H]1C)C(F)(F)F ZINC000390604432 259395031 /nfs/dbraw/zinc/39/50/31/259395031.db2.gz CDGXPHGMUYQVJD-AEJSXWLSSA-N 1 2 237.309 3.742 20 0 BHADLO CC[C@H]([NH2+][C@@H]1CC(C)(C)C[C@H]1C)C(F)(F)F ZINC000390604433 259395286 /nfs/dbraw/zinc/39/52/86/259395286.db2.gz CDGXPHGMUYQVJD-BBBLOLIVSA-N 1 2 237.309 3.742 20 0 BHADLO CC[C@H]([NH2+][C@H]1CC(C)(C)C[C@@H]1C)C(F)(F)F ZINC000390604556 259395104 /nfs/dbraw/zinc/39/51/04/259395104.db2.gz CDGXPHGMUYQVJD-GUBZILKMSA-N 1 2 237.309 3.742 20 0 BHADLO CC[C@H]([NH2+][C@H]1CC(C)(C)C[C@H]1C)C(F)(F)F ZINC000390604557 259394935 /nfs/dbraw/zinc/39/49/35/259394935.db2.gz CDGXPHGMUYQVJD-UTLUCORTSA-N 1 2 237.309 3.742 20 0 BHADLO C[C@@H]([NH2+]C1(C(F)F)CC1)c1ccc(Cl)cc1 ZINC000390649812 259396819 /nfs/dbraw/zinc/39/68/19/259396819.db2.gz OYONDHIQNIRQPW-MRVPVSSYSA-N 1 2 245.700 3.788 20 0 BHADLO C[C@H]([NH2+]C1(C(F)F)CC1)c1ccc(Cl)cc1 ZINC000390649813 259397204 /nfs/dbraw/zinc/39/72/04/259397204.db2.gz OYONDHIQNIRQPW-QMMMGPOBSA-N 1 2 245.700 3.788 20 0 BHADLO CC[C@H]([NH2+][C@@H]1CC[C@@H](C)C[C@H]1C)C(F)(F)F ZINC000390669107 259397554 /nfs/dbraw/zinc/39/75/54/259397554.db2.gz UYRKGVVUJUCUMS-DBIOUOCHSA-N 1 2 237.309 3.742 20 0 BHADLO CC[C@H]([NH2+][C@@H]1CC[C@H](C)C[C@@H]1C)C(F)(F)F ZINC000390669108 259397352 /nfs/dbraw/zinc/39/73/52/259397352.db2.gz UYRKGVVUJUCUMS-MMWGEVLESA-N 1 2 237.309 3.742 20 0 BHADLO CC[C@H]([NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C)C(F)(F)F ZINC000390669110 259397479 /nfs/dbraw/zinc/39/74/79/259397479.db2.gz UYRKGVVUJUCUMS-YTWAJWBKSA-N 1 2 237.309 3.742 20 0 BHADLO CC[C@H]([NH2+][C@@H]1CC[C@H](C)C[C@H]1C)C(F)(F)F ZINC000390669111 259397509 /nfs/dbraw/zinc/39/75/09/259397509.db2.gz UYRKGVVUJUCUMS-ZDCRXTMVSA-N 1 2 237.309 3.742 20 0 BHADLO CC(C)CC[NH2+][C@H](c1ccccc1)C(F)F ZINC000390778704 385895770 /nfs/dbraw/zinc/89/57/70/385895770.db2.gz HLTRLXJWEWPMKE-GFCCVEGCSA-N 1 2 227.298 3.629 20 0 BHADLO CC(C)CC[NH2+][C@@H](c1ccccc1)C(F)F ZINC000390778705 385895249 /nfs/dbraw/zinc/89/52/49/385895249.db2.gz HLTRLXJWEWPMKE-LBPRGKRZSA-N 1 2 227.298 3.629 20 0 BHADLO CCCCC[NH2+][C@H](c1ccccc1)C(F)F ZINC000390779190 385895213 /nfs/dbraw/zinc/89/52/13/385895213.db2.gz HXQLISOGHOFVBB-GFCCVEGCSA-N 1 2 227.298 3.773 20 0 BHADLO CCCCC[NH2+][C@@H](c1ccccc1)C(F)F ZINC000390779191 385895427 /nfs/dbraw/zinc/89/54/27/385895427.db2.gz HXQLISOGHOFVBB-LBPRGKRZSA-N 1 2 227.298 3.773 20 0 BHADLO FC(F)C1([NH2+]Cc2cccs2)CCCCC1 ZINC000390816096 385922420 /nfs/dbraw/zinc/92/24/20/385922420.db2.gz KWXAUBCFCNIEGW-UHFFFAOYSA-N 1 2 245.338 3.806 20 0 BHADLO FC1(F)CCC[C@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000390820606 539027583 /nfs/dbraw/zinc/02/75/83/539027583.db2.gz WMUQMTHTAQVREG-LLVKDONJSA-N 1 2 245.700 3.617 20 0 BHADLO FC1(F)CCC[C@@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000390820607 539027446 /nfs/dbraw/zinc/02/74/46/539027446.db2.gz WMUQMTHTAQVREG-NSHDSACASA-N 1 2 245.700 3.617 20 0 BHADLO CCc1ccc([C@@H](C)[NH2+]CC(C)(F)F)s1 ZINC000393219397 488087162 /nfs/dbraw/zinc/08/71/62/488087162.db2.gz OHQASYWKCCWROM-MRVPVSSYSA-N 1 2 233.327 3.616 20 0 BHADLO CCc1ccc([C@H](C)[NH2+]CC(C)(F)F)s1 ZINC000393219399 488087729 /nfs/dbraw/zinc/08/77/29/488087729.db2.gz OHQASYWKCCWROM-QMMMGPOBSA-N 1 2 233.327 3.616 20 0 BHADLO CC(F)(F)C[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000393453836 357310498 /nfs/dbraw/zinc/31/04/98/357310498.db2.gz YSHIZEFYSDANKY-LLVKDONJSA-N 1 2 245.700 3.572 20 0 BHADLO CC(F)(F)C[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000393453837 357310238 /nfs/dbraw/zinc/31/02/38/357310238.db2.gz YSHIZEFYSDANKY-NSHDSACASA-N 1 2 245.700 3.572 20 0 BHADLO CSc1ccc([C@@H](C)[NH2+]CC(C)(F)F)cc1 ZINC000393478346 357311384 /nfs/dbraw/zinc/31/13/84/357311384.db2.gz PWPIVOPPZRFPRS-SECBINFHSA-N 1 2 245.338 3.714 20 0 BHADLO CSc1ccc([C@H](C)[NH2+]CC(C)(F)F)cc1 ZINC000393478347 357311328 /nfs/dbraw/zinc/31/13/28/357311328.db2.gz PWPIVOPPZRFPRS-VIFPVBQESA-N 1 2 245.338 3.714 20 0 BHADLO CC(F)(F)C[NH2+]Cc1ccc(C(C)(C)C)s1 ZINC000393508159 259704915 /nfs/dbraw/zinc/70/49/15/259704915.db2.gz YDPANSSEPGLBCQ-UHFFFAOYSA-N 1 2 247.354 3.790 20 0 BHADLO Cc1ccc(C)c([C@@H](C)[NH2+]CC(C)(F)F)c1 ZINC000393519467 357286611 /nfs/dbraw/zinc/28/66/11/357286611.db2.gz NSRVCAVMXCISJL-LLVKDONJSA-N 1 2 227.298 3.609 20 0 BHADLO Cc1ccc(C)c([C@H](C)[NH2+]CC(C)(F)F)c1 ZINC000393519469 357286642 /nfs/dbraw/zinc/28/66/42/357286642.db2.gz NSRVCAVMXCISJL-NSHDSACASA-N 1 2 227.298 3.609 20 0 BHADLO Cc1ccc([C@@H](C)[NH2+]CC(C)(F)F)cc1C ZINC000393532844 259324810 /nfs/dbraw/zinc/32/48/10/259324810.db2.gz YPBXREBIXBTUIH-LLVKDONJSA-N 1 2 227.298 3.609 20 0 BHADLO Cc1ccc([C@H](C)[NH2+]CC(C)(F)F)cc1C ZINC000393532846 388433217 /nfs/dbraw/zinc/43/32/17/388433217.db2.gz YPBXREBIXBTUIH-NSHDSACASA-N 1 2 227.298 3.609 20 0 BHADLO CC[C@@H]([NH2+]CC(C)(F)F)c1ccccc1F ZINC000393558270 357287546 /nfs/dbraw/zinc/28/75/46/357287546.db2.gz MVIWMAZTKUUYGO-LLVKDONJSA-N 1 2 231.261 3.522 20 0 BHADLO CC[C@H]([NH2+]CC(C)(F)F)c1ccccc1F ZINC000393558271 357287445 /nfs/dbraw/zinc/28/74/45/357287445.db2.gz MVIWMAZTKUUYGO-NSHDSACASA-N 1 2 231.261 3.522 20 0 BHADLO CCSCc1cc[nH+]c(NCC2(C)CC2)c1 ZINC000393760031 357296363 /nfs/dbraw/zinc/29/63/63/357296363.db2.gz VSXBVPGMVITSFB-UHFFFAOYSA-N 1 2 236.384 3.547 20 0 BHADLO Cc1cc([C@@H](C)[NH2+]CC(C)(F)F)c(C)s1 ZINC000393921369 357307110 /nfs/dbraw/zinc/30/71/10/357307110.db2.gz JMAVJQFFVIQEOC-MRVPVSSYSA-N 1 2 233.327 3.671 20 0 BHADLO Cc1cc([C@H](C)[NH2+]CC(C)(F)F)c(C)s1 ZINC000393921374 357306967 /nfs/dbraw/zinc/30/69/67/357306967.db2.gz JMAVJQFFVIQEOC-QMMMGPOBSA-N 1 2 233.327 3.671 20 0 BHADLO Cc1ccc2[nH]c(-c3ccc(O)cc3)[nH+]c2c1C ZINC000393984959 357314264 /nfs/dbraw/zinc/31/42/64/357314264.db2.gz FBYXUMCOFMVNCK-UHFFFAOYSA-N 1 2 238.290 3.552 20 0 BHADLO Cc1cc([C@@H](C)Nc2ccc(C)[nH+]c2)cs1 ZINC000394549505 259366191 /nfs/dbraw/zinc/36/61/91/259366191.db2.gz HHLQHPMDMAVNML-LLVKDONJSA-N 1 2 232.352 3.933 20 0 BHADLO Cc1cc([C@H](C)Nc2ccc(C)[nH+]c2)cs1 ZINC000394549507 259366287 /nfs/dbraw/zinc/36/62/87/259366287.db2.gz HHLQHPMDMAVNML-NSHDSACASA-N 1 2 232.352 3.933 20 0 BHADLO Cc1c[nH+]cc(N[C@@H]2CCCC23CCC3)c1 ZINC000394757690 323107862 /nfs/dbraw/zinc/10/78/62/323107862.db2.gz CAEAKNHTDWZIOJ-CYBMUJFWSA-N 1 2 216.328 3.525 20 0 BHADLO Cc1c[nH+]cc(N[C@H]2CCCC23CCC3)c1 ZINC000394757691 323107807 /nfs/dbraw/zinc/10/78/07/323107807.db2.gz CAEAKNHTDWZIOJ-ZDUSSCGKSA-N 1 2 216.328 3.525 20 0 BHADLO Cc1ccc(N[C@@H]2CCCC23CCC3)c[nH+]1 ZINC000394800797 386424799 /nfs/dbraw/zinc/42/47/99/386424799.db2.gz FDXRFVNNAJCZEE-CYBMUJFWSA-N 1 2 216.328 3.525 20 0 BHADLO Cc1ccc(N[C@H]2CCCC23CCC3)c[nH+]1 ZINC000394800798 386424247 /nfs/dbraw/zinc/42/42/47/386424247.db2.gz FDXRFVNNAJCZEE-ZDUSSCGKSA-N 1 2 216.328 3.525 20 0 BHADLO Cc1c[nH+]cc(NCc2cc(C)cc(Cl)c2)c1 ZINC000395138425 357411099 /nfs/dbraw/zinc/41/10/99/357411099.db2.gz AZXSWJDZNPMZPC-UHFFFAOYSA-N 1 2 246.741 3.964 20 0 BHADLO Cc1cc(Cl)cc(CNc2c[nH+]ccc2C)c1 ZINC000395192743 262768519 /nfs/dbraw/zinc/76/85/19/262768519.db2.gz ZZROMKVTKZOSKC-UHFFFAOYSA-N 1 2 246.741 3.964 20 0 BHADLO Cc1cc(N(C)C)ccc1[NH2+]C1CC(C)(C)C1 ZINC000395300294 711207419 /nfs/dbraw/zinc/20/74/19/711207419.db2.gz QISVXXWSKFYAMN-UHFFFAOYSA-N 1 2 232.371 3.662 20 0 BHADLO Cc1cc([NH+](C)C)ccc1NC1CC(C)(C)C1 ZINC000395300294 711207417 /nfs/dbraw/zinc/20/74/17/711207417.db2.gz QISVXXWSKFYAMN-UHFFFAOYSA-N 1 2 232.371 3.662 20 0 BHADLO CC1(C)CC([NH2+]c2ccc(N3CCCC3)cc2)C1 ZINC000395303475 711207387 /nfs/dbraw/zinc/20/73/87/711207387.db2.gz SOTFBHGCDBORSE-UHFFFAOYSA-N 1 2 244.382 3.887 20 0 BHADLO CC1(C)CC(Nc2ccc([NH+]3CCCC3)cc2)C1 ZINC000395303475 711207385 /nfs/dbraw/zinc/20/73/85/711207385.db2.gz SOTFBHGCDBORSE-UHFFFAOYSA-N 1 2 244.382 3.887 20 0 BHADLO C[C@@H]([NH2+]c1ccc(N(C)C)cc1)[C@H]1CC1(C)C ZINC000397584297 711388088 /nfs/dbraw/zinc/38/80/88/711388088.db2.gz BOXJAXAZUPHMOA-BXUZGUMPSA-N 1 2 232.371 3.599 20 0 BHADLO C[C@H]([NH2+]c1ccc(N(C)C)cc1)[C@@H]1CC1(C)C ZINC000397584302 711387982 /nfs/dbraw/zinc/38/79/82/711387982.db2.gz BOXJAXAZUPHMOA-FZMZJTMJSA-N 1 2 232.371 3.599 20 0 BHADLO C[C@@H]([NH2+]c1ccc(N(C)C)cc1)[C@@H]1CC1(C)C ZINC000397584307 711387625 /nfs/dbraw/zinc/38/76/25/711387625.db2.gz BOXJAXAZUPHMOA-RISCZKNCSA-N 1 2 232.371 3.599 20 0 BHADLO C[C@H]([NH2+]c1ccc(N(C)C)cc1)[C@H]1CC1(C)C ZINC000397584310 711388163 /nfs/dbraw/zinc/38/81/63/711388163.db2.gz BOXJAXAZUPHMOA-SMDDNHRTSA-N 1 2 232.371 3.599 20 0 BHADLO COc1ccc([NH2+][C@@H](C)[C@H]2CC2(C)C)c(OC)c1 ZINC000397682545 710908188 /nfs/dbraw/zinc/90/81/88/710908188.db2.gz UKRIJWKKBDYSDC-CMPLNLGQSA-N 1 2 249.354 3.550 20 0 BHADLO COc1ccc([NH2+][C@@H](C)[C@@H]2CC2(C)C)c(OC)c1 ZINC000397682547 710909234 /nfs/dbraw/zinc/90/92/34/710909234.db2.gz UKRIJWKKBDYSDC-JQWIXIFHSA-N 1 2 249.354 3.550 20 0 BHADLO COc1ccc([NH2+][C@H](C)[C@@H]2CC2(C)C)c(OC)c1 ZINC000397682549 710908797 /nfs/dbraw/zinc/90/87/97/710908797.db2.gz UKRIJWKKBDYSDC-PWSUYJOCSA-N 1 2 249.354 3.550 20 0 BHADLO COc1ccc([NH2+][C@H](C)[C@H]2CC2(C)C)c(OC)c1 ZINC000397682551 710908952 /nfs/dbraw/zinc/90/89/52/710908952.db2.gz UKRIJWKKBDYSDC-ZYHUDNBSSA-N 1 2 249.354 3.550 20 0 BHADLO Cc1cccc(C)c1C[NH2+][C@@H]1CCCC1(F)F ZINC000397968985 634233857 /nfs/dbraw/zinc/23/38/57/634233857.db2.gz AENHHNZBLUMYHJ-CYBMUJFWSA-N 1 2 239.309 3.581 20 0 BHADLO Cc1cccc(C)c1C[NH2+][C@H]1CCCC1(F)F ZINC000397968989 634233030 /nfs/dbraw/zinc/23/30/30/634233030.db2.gz AENHHNZBLUMYHJ-ZDUSSCGKSA-N 1 2 239.309 3.581 20 0 BHADLO Cc1cccc(C[NH2+][C@@H]2CCCC2(F)F)c1C ZINC000397969931 634233005 /nfs/dbraw/zinc/23/30/05/634233005.db2.gz ASEMOCOUHQSIQR-CYBMUJFWSA-N 1 2 239.309 3.581 20 0 BHADLO Cc1cccc(C[NH2+][C@H]2CCCC2(F)F)c1C ZINC000397969932 634232673 /nfs/dbraw/zinc/23/26/73/634232673.db2.gz ASEMOCOUHQSIQR-ZDUSSCGKSA-N 1 2 239.309 3.581 20 0 BHADLO C[C@@H]([NH2+][C@@H]1CCCC1(F)F)c1cccc(F)c1 ZINC000397977629 583115008 /nfs/dbraw/zinc/11/50/08/583115008.db2.gz DLOHALCPSPZFPI-BXKDBHETSA-N 1 2 243.272 3.664 20 0 BHADLO C[C@H]([NH2+][C@H]1CCCC1(F)F)c1cccc(F)c1 ZINC000397977630 583115149 /nfs/dbraw/zinc/11/51/49/583115149.db2.gz DLOHALCPSPZFPI-CABZTGNLSA-N 1 2 243.272 3.664 20 0 BHADLO C[C@H]([NH2+][C@@H]1CCCC1(F)F)c1cccc(F)c1 ZINC000397977631 583115018 /nfs/dbraw/zinc/11/50/18/583115018.db2.gz DLOHALCPSPZFPI-JOYOIKCWSA-N 1 2 243.272 3.664 20 0 BHADLO C[C@@H]([NH2+][C@H]1CCCC1(F)F)c1cccc(F)c1 ZINC000397977632 583114867 /nfs/dbraw/zinc/11/48/67/583114867.db2.gz DLOHALCPSPZFPI-SKDRFNHKSA-N 1 2 243.272 3.664 20 0 BHADLO Cc1ccc(C[NH2+][C@@H]2CCCC2(F)F)cc1C ZINC000397983424 583114908 /nfs/dbraw/zinc/11/49/08/583114908.db2.gz FXPLVSPGTLBDPJ-CYBMUJFWSA-N 1 2 239.309 3.581 20 0 BHADLO Cc1cc(C)cc(C[NH2+][C@@H]2CCCC2(F)F)c1 ZINC000397993850 634236768 /nfs/dbraw/zinc/23/67/68/634236768.db2.gz JPICVVJLECXQRA-CYBMUJFWSA-N 1 2 239.309 3.581 20 0 BHADLO Cc1cc(C)cc(C[NH2+][C@H]2CCCC2(F)F)c1 ZINC000397993853 634236214 /nfs/dbraw/zinc/23/62/14/634236214.db2.gz JPICVVJLECXQRA-ZDUSSCGKSA-N 1 2 239.309 3.581 20 0 BHADLO Cc1ccc([C@H](C)[NH2+][C@H]2CCCC2(F)F)cc1 ZINC000398001302 583116220 /nfs/dbraw/zinc/11/62/20/583116220.db2.gz NRKNTBMVASXMLK-AAEUAGOBSA-N 1 2 239.309 3.833 20 0 BHADLO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCC2(F)F)cc1 ZINC000398001303 583116253 /nfs/dbraw/zinc/11/62/53/583116253.db2.gz NRKNTBMVASXMLK-DGCLKSJQSA-N 1 2 239.309 3.833 20 0 BHADLO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCC2(F)F)cc1 ZINC000398001305 583116360 /nfs/dbraw/zinc/11/63/60/583116360.db2.gz NRKNTBMVASXMLK-WCQYABFASA-N 1 2 239.309 3.833 20 0 BHADLO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCC2(F)F)cc1 ZINC000398001307 583116058 /nfs/dbraw/zinc/11/60/58/583116058.db2.gz NRKNTBMVASXMLK-YPMHNXCESA-N 1 2 239.309 3.833 20 0 BHADLO Cc1ccccc1[C@H](C)[NH2+][C@H]1CCCC1(F)F ZINC000398002813 711458475 /nfs/dbraw/zinc/45/84/75/711458475.db2.gz OSPXOWZBXVGBQE-AAEUAGOBSA-N 1 2 239.309 3.833 20 0 BHADLO Cc1ccccc1[C@@H](C)[NH2+][C@@H]1CCCC1(F)F ZINC000398002814 583116370 /nfs/dbraw/zinc/11/63/70/583116370.db2.gz OSPXOWZBXVGBQE-DGCLKSJQSA-N 1 2 239.309 3.833 20 0 BHADLO Cc1ccccc1[C@H](C)[NH2+][C@@H]1CCCC1(F)F ZINC000398002815 583116227 /nfs/dbraw/zinc/11/62/27/583116227.db2.gz OSPXOWZBXVGBQE-WCQYABFASA-N 1 2 239.309 3.833 20 0 BHADLO Cc1ccccc1[C@@H](C)[NH2+][C@H]1CCCC1(F)F ZINC000398002816 583116156 /nfs/dbraw/zinc/11/61/56/583116156.db2.gz OSPXOWZBXVGBQE-YPMHNXCESA-N 1 2 239.309 3.833 20 0 BHADLO Cc1ccc(C[NH2+][C@@H]2CCCC2(F)F)c(C)c1 ZINC000398005816 583116507 /nfs/dbraw/zinc/11/65/07/583116507.db2.gz QHOWQYDOWUOMFY-CYBMUJFWSA-N 1 2 239.309 3.581 20 0 BHADLO Cc1ccc(C[NH2+][C@H]2CCCC2(F)F)c(C)c1 ZINC000398005817 583116505 /nfs/dbraw/zinc/11/65/05/583116505.db2.gz QHOWQYDOWUOMFY-ZDUSSCGKSA-N 1 2 239.309 3.581 20 0 BHADLO C[C@@H]([NH2+][C@@H]1CCCC1(F)F)c1ccc(F)cc1 ZINC000398011544 634248068 /nfs/dbraw/zinc/24/80/68/634248068.db2.gz SZNVIGCTLBTAQE-BXKDBHETSA-N 1 2 243.272 3.664 20 0 BHADLO C[C@H]([NH2+][C@H]1CCCC1(F)F)c1ccc(F)cc1 ZINC000398011546 634246995 /nfs/dbraw/zinc/24/69/95/634246995.db2.gz SZNVIGCTLBTAQE-CABZTGNLSA-N 1 2 243.272 3.664 20 0 BHADLO C[C@H]([NH2+][C@@H]1CCCC1(F)F)c1ccc(F)cc1 ZINC000398011548 634247237 /nfs/dbraw/zinc/24/72/37/634247237.db2.gz SZNVIGCTLBTAQE-JOYOIKCWSA-N 1 2 243.272 3.664 20 0 BHADLO C[C@@H]([NH2+][C@H]1CCCC1(F)F)c1ccc(F)cc1 ZINC000398011549 634248653 /nfs/dbraw/zinc/24/86/53/634248653.db2.gz SZNVIGCTLBTAQE-SKDRFNHKSA-N 1 2 243.272 3.664 20 0 BHADLO CCc1ccc(C[NH2+][C@@H]2CCCC2(F)F)cc1 ZINC000398012748 634246801 /nfs/dbraw/zinc/24/68/01/634246801.db2.gz UJBUTBJNMAQVKJ-CYBMUJFWSA-N 1 2 239.309 3.526 20 0 BHADLO CCc1ccc(C[NH2+][C@H]2CCCC2(F)F)cc1 ZINC000398012749 634247893 /nfs/dbraw/zinc/24/78/93/634247893.db2.gz UJBUTBJNMAQVKJ-ZDUSSCGKSA-N 1 2 239.309 3.526 20 0 BHADLO Cc1ccc(C)c(C[NH2+][C@@H]2CCCC2(F)F)c1 ZINC000398017618 634249707 /nfs/dbraw/zinc/24/97/07/634249707.db2.gz XUBUDQBAISYPLV-CYBMUJFWSA-N 1 2 239.309 3.581 20 0 BHADLO Cc1ccc(C)c(C[NH2+][C@H]2CCCC2(F)F)c1 ZINC000398017619 634250360 /nfs/dbraw/zinc/25/03/60/634250360.db2.gz XUBUDQBAISYPLV-ZDUSSCGKSA-N 1 2 239.309 3.581 20 0 BHADLO Cc1cccc([C@H](C)[NH2+][C@H]2CCCC2(F)F)c1 ZINC000398019975 634249485 /nfs/dbraw/zinc/24/94/85/634249485.db2.gz ZHRLTLZKIGEWRP-AAEUAGOBSA-N 1 2 239.309 3.833 20 0 BHADLO Cc1cccc([C@@H](C)[NH2+][C@@H]2CCCC2(F)F)c1 ZINC000398019977 634250120 /nfs/dbraw/zinc/25/01/20/634250120.db2.gz ZHRLTLZKIGEWRP-DGCLKSJQSA-N 1 2 239.309 3.833 20 0 BHADLO Cc1cccc([C@H](C)[NH2+][C@@H]2CCCC2(F)F)c1 ZINC000398019979 583117045 /nfs/dbraw/zinc/11/70/45/583117045.db2.gz ZHRLTLZKIGEWRP-WCQYABFASA-N 1 2 239.309 3.833 20 0 BHADLO Cc1cccc([C@@H](C)[NH2+][C@H]2CCCC2(F)F)c1 ZINC000398019981 583116716 /nfs/dbraw/zinc/11/67/16/583116716.db2.gz ZHRLTLZKIGEWRP-YPMHNXCESA-N 1 2 239.309 3.833 20 0 BHADLO Cc1cc([C@@H](C)[NH2+][C@@H]2CCCC2(F)F)c(C)o1 ZINC000398081553 583119657 /nfs/dbraw/zinc/11/96/57/583119657.db2.gz BEHWOIBATOBPEJ-BXKDBHETSA-N 1 2 243.297 3.735 20 0 BHADLO Cc1cc([C@H](C)[NH2+][C@H]2CCCC2(F)F)c(C)o1 ZINC000398081557 583119668 /nfs/dbraw/zinc/11/96/68/583119668.db2.gz BEHWOIBATOBPEJ-CABZTGNLSA-N 1 2 243.297 3.735 20 0 BHADLO Cc1cc([C@H](C)[NH2+][C@@H]2CCCC2(F)F)c(C)o1 ZINC000398081561 583119635 /nfs/dbraw/zinc/11/96/35/583119635.db2.gz BEHWOIBATOBPEJ-JOYOIKCWSA-N 1 2 243.297 3.735 20 0 BHADLO Cc1cc([C@@H](C)[NH2+][C@H]2CCCC2(F)F)c(C)o1 ZINC000398081567 583119633 /nfs/dbraw/zinc/11/96/33/583119633.db2.gz BEHWOIBATOBPEJ-SKDRFNHKSA-N 1 2 243.297 3.735 20 0 BHADLO CC[C@@H]([NH2+][C@@H]1CCCC1(F)F)c1ccsc1 ZINC000398087277 410942497 /nfs/dbraw/zinc/94/24/97/410942497.db2.gz IHBHCUZWEFBHLH-GHMZBOCLSA-N 1 2 245.338 3.977 20 0 BHADLO CC[C@@H]([NH2+][C@H]1CCCC1(F)F)c1ccsc1 ZINC000398087280 410943079 /nfs/dbraw/zinc/94/30/79/410943079.db2.gz IHBHCUZWEFBHLH-MNOVXSKESA-N 1 2 245.338 3.977 20 0 BHADLO CC[C@H]([NH2+][C@H]1CCCC1(F)F)c1ccsc1 ZINC000398087283 410942484 /nfs/dbraw/zinc/94/24/84/410942484.db2.gz IHBHCUZWEFBHLH-QWRGUYRKSA-N 1 2 245.338 3.977 20 0 BHADLO CC[C@H]([NH2+][C@@H]1CCCC1(F)F)c1ccsc1 ZINC000398087285 410942959 /nfs/dbraw/zinc/94/29/59/410942959.db2.gz IHBHCUZWEFBHLH-WDEREUQCSA-N 1 2 245.338 3.977 20 0 BHADLO Cc1cc([C@H](C)[NH2+][C@@H]2CCCC2(F)F)cs1 ZINC000398137652 410943297 /nfs/dbraw/zinc/94/32/97/410943297.db2.gz VIHMMLZUDSPLKI-GXSJLCMTSA-N 1 2 245.338 3.895 20 0 BHADLO Cc1cc([C@@H](C)[NH2+][C@H]2CCCC2(F)F)cs1 ZINC000398137653 410941987 /nfs/dbraw/zinc/94/19/87/410941987.db2.gz VIHMMLZUDSPLKI-KOLCDFICSA-N 1 2 245.338 3.895 20 0 BHADLO Cc1cc([C@@H](C)[NH2+][C@@H]2CCCC2(F)F)cs1 ZINC000398137654 410943427 /nfs/dbraw/zinc/94/34/27/410943427.db2.gz VIHMMLZUDSPLKI-MWLCHTKSSA-N 1 2 245.338 3.895 20 0 BHADLO Cc1cc([C@H](C)[NH2+][C@H]2CCCC2(F)F)cs1 ZINC000398137655 410943281 /nfs/dbraw/zinc/94/32/81/410943281.db2.gz VIHMMLZUDSPLKI-ONGXEEELSA-N 1 2 245.338 3.895 20 0 BHADLO Fc1cc2[nH+]cn(CCC3CCC3)c2cc1F ZINC000398723458 488223674 /nfs/dbraw/zinc/22/36/74/488223674.db2.gz QOPKTLXWJRKBCH-UHFFFAOYSA-N 1 2 236.265 3.505 20 0 BHADLO Cc1ccc(CNc2cc(C)c[nH+]c2C)s1 ZINC000404713612 411406146 /nfs/dbraw/zinc/40/61/46/411406146.db2.gz BOHFJWDYSMTYBN-UHFFFAOYSA-N 1 2 232.352 3.680 20 0 BHADLO Cc1ccsc1CNc1cc(C)c[nH+]c1C ZINC000404746110 411406509 /nfs/dbraw/zinc/40/65/09/411406509.db2.gz KCYWHWGDYBTOIH-UHFFFAOYSA-N 1 2 232.352 3.680 20 0 BHADLO Cc1sccc1CNc1cc(C)c[nH+]c1C ZINC000404749006 411407032 /nfs/dbraw/zinc/40/70/32/411407032.db2.gz LFTMUQJIXCRYLM-UHFFFAOYSA-N 1 2 232.352 3.680 20 0 BHADLO Cc1cc(CNc2cc(C)c[nH+]c2C)cs1 ZINC000404764228 411407613 /nfs/dbraw/zinc/40/76/13/411407613.db2.gz UQICZDWQSSVFFP-UHFFFAOYSA-N 1 2 232.352 3.680 20 0 BHADLO Cc1c[nH+]c(C)c(NCc2ccc(Cl)o2)c1 ZINC000404764270 411407593 /nfs/dbraw/zinc/40/75/93/411407593.db2.gz URXQURVOFVPZOO-UHFFFAOYSA-N 1 2 236.702 3.557 20 0 BHADLO COc1cc(C)ccc1[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000408510531 487546785 /nfs/dbraw/zinc/54/67/85/487546785.db2.gz RKJMDPVGLJTFOM-XQQFMLRXSA-N 1 2 231.339 3.604 20 0 BHADLO CC(C)(C)CCC[N@@H+](CC(F)F)C1CC1 ZINC000410374489 191028721 /nfs/dbraw/zinc/02/87/21/191028721.db2.gz ZKXLLHSIWZJCHF-UHFFFAOYSA-N 1 2 219.319 3.542 20 0 BHADLO CC(C)(C)CCC[N@H+](CC(F)F)C1CC1 ZINC000410374489 191028719 /nfs/dbraw/zinc/02/87/19/191028719.db2.gz ZKXLLHSIWZJCHF-UHFFFAOYSA-N 1 2 219.319 3.542 20 0 BHADLO Cc1ccc(NC(=O)C(C)(C)C(C)(C)C)c(C)[nH+]1 ZINC000410559126 385679650 /nfs/dbraw/zinc/67/96/50/385679650.db2.gz CNCMWHGLOCDGAL-UHFFFAOYSA-N 1 2 248.370 3.709 20 0 BHADLO CC[C@H](CC(C)C)C(=O)Nc1ccc(C)[nH+]c1C ZINC000410566614 350726466 /nfs/dbraw/zinc/72/64/66/350726466.db2.gz YZDBYQNTYXOOPY-CYBMUJFWSA-N 1 2 248.370 3.709 20 0 BHADLO CC[C@@H](CC(C)C)C(=O)Nc1ccc(C)[nH+]c1C ZINC000410566615 350726203 /nfs/dbraw/zinc/72/62/03/350726203.db2.gz YZDBYQNTYXOOPY-ZDUSSCGKSA-N 1 2 248.370 3.709 20 0 BHADLO Cc1cc[nH+]c(N[C@@H]2C[C@H]2c2ccco2)c1Cl ZINC000413602787 191399257 /nfs/dbraw/zinc/39/92/57/191399257.db2.gz JRKMJGUZVGOBSD-NXEZZACHSA-N 1 2 248.713 3.604 20 0 BHADLO CC[C@H]([NH2+][C@@H](C(C)C)C(F)(F)F)[C@H]1C[C@@H]1C ZINC000414130201 398218034 /nfs/dbraw/zinc/21/80/34/398218034.db2.gz JEUWQEYSUAFMLE-NAKRPEOUSA-N 1 2 237.309 3.598 20 0 BHADLO CC[C@H]([NH2+][C@@H](C(C)C)C(F)(F)F)[C@H]1C[C@H]1C ZINC000414130206 398218202 /nfs/dbraw/zinc/21/82/02/398218202.db2.gz JEUWQEYSUAFMLE-RCWTZXSCSA-N 1 2 237.309 3.598 20 0 BHADLO CC[C@H]([NH2+][C@@H](C(C)C)C(F)(F)F)[C@@H]1C[C@@H]1C ZINC000414130208 398218097 /nfs/dbraw/zinc/21/80/97/398218097.db2.gz JEUWQEYSUAFMLE-VLEAKVRGSA-N 1 2 237.309 3.598 20 0 BHADLO CC[C@H]([NH2+][C@@H](C(C)C)C(F)(F)F)[C@@H]1C[C@H]1C ZINC000414130210 385976921 /nfs/dbraw/zinc/97/69/21/385976921.db2.gz JEUWQEYSUAFMLE-ZNSHCXBVSA-N 1 2 237.309 3.598 20 0 BHADLO Cc1occc1C[NH2+]C1(C(F)F)CCCCC1 ZINC000414442787 411418986 /nfs/dbraw/zinc/41/89/86/411418986.db2.gz QYXVURHEDCAMLC-UHFFFAOYSA-N 1 2 243.297 3.646 20 0 BHADLO Cc1occc1C[N@H+]1Cc2cccc(Cl)c2C1 ZINC000414444676 386490731 /nfs/dbraw/zinc/49/07/31/386490731.db2.gz QIQPKTJEPCGRNK-UHFFFAOYSA-N 1 2 247.725 3.757 20 0 BHADLO Cc1occc1C[N@@H+]1Cc2cccc(Cl)c2C1 ZINC000414444676 386490724 /nfs/dbraw/zinc/49/07/24/386490724.db2.gz QIQPKTJEPCGRNK-UHFFFAOYSA-N 1 2 247.725 3.757 20 0 BHADLO Cc1occc1C[N@H+]1Cc2ccc(Cl)cc2C1 ZINC000414468443 386634346 /nfs/dbraw/zinc/63/43/46/386634346.db2.gz YKBIGWZZXGRPTN-UHFFFAOYSA-N 1 2 247.725 3.757 20 0 BHADLO Cc1occc1C[N@@H+]1Cc2ccc(Cl)cc2C1 ZINC000414468443 386634343 /nfs/dbraw/zinc/63/43/43/386634343.db2.gz YKBIGWZZXGRPTN-UHFFFAOYSA-N 1 2 247.725 3.757 20 0 BHADLO CC[C@@H](C)CNc1ccc2c(c1)CCC[NH2+]2 ZINC000414843054 386757798 /nfs/dbraw/zinc/75/77/98/386757798.db2.gz BTXXOMVQPZPDBS-LLVKDONJSA-N 1 2 218.344 3.503 20 0 BHADLO CC[C@H](C)CNc1ccc2c(c1)CCC[NH2+]2 ZINC000414843060 386758198 /nfs/dbraw/zinc/75/81/98/386758198.db2.gz BTXXOMVQPZPDBS-NSHDSACASA-N 1 2 218.344 3.503 20 0 BHADLO CC1(CNc2ccc3c(c2)CCC[NH2+]3)CCC1 ZINC000414845806 487826273 /nfs/dbraw/zinc/82/62/73/487826273.db2.gz GEUSZEBLVPXEDG-UHFFFAOYSA-N 1 2 230.355 3.647 20 0 BHADLO c1ccc(CNc2ccc3c(c2)CCC[NH2+]3)cc1 ZINC000414846806 386824437 /nfs/dbraw/zinc/82/44/37/386824437.db2.gz IAYHUFCANXHGKM-UHFFFAOYSA-N 1 2 238.334 3.657 20 0 BHADLO CC(C)(C)CNc1ccc2c(c1)CCC[NH2+]2 ZINC000414852148 385671919 /nfs/dbraw/zinc/67/19/19/385671919.db2.gz PHSDLOYPURQTSI-UHFFFAOYSA-N 1 2 218.344 3.503 20 0 BHADLO C[C@@H](Nc1ccc2c(c1)CCC[NH2+]2)C1CCC1 ZINC000414853278 385685675 /nfs/dbraw/zinc/68/56/75/385685675.db2.gz RORQTMZMEMHELU-LLVKDONJSA-N 1 2 230.355 3.645 20 0 BHADLO C[C@H](Nc1ccc2c(c1)CCC[NH2+]2)C1CCC1 ZINC000414853280 385685855 /nfs/dbraw/zinc/68/58/55/385685855.db2.gz RORQTMZMEMHELU-NSHDSACASA-N 1 2 230.355 3.645 20 0 BHADLO C/C=C/c1ccc(NCc2c[nH+]cn2CC)cc1 ZINC000418065310 387080824 /nfs/dbraw/zinc/08/08/24/387080824.db2.gz LJZQNSJYYRZCMF-HWKANZROSA-N 1 2 241.338 3.548 20 0 BHADLO C/C=C\c1ccc(NCc2c[nH+]cn2CC)cc1 ZINC000418065311 387080265 /nfs/dbraw/zinc/08/02/65/387080265.db2.gz LJZQNSJYYRZCMF-HYXAFXHYSA-N 1 2 241.338 3.548 20 0 BHADLO Fc1ccc2cc[nH+]c(NC[C@H]3CC34CC4)c2c1 ZINC000418982264 192091036 /nfs/dbraw/zinc/09/10/36/192091036.db2.gz RGBYAKJJZXXUSJ-LLVKDONJSA-N 1 2 242.297 3.586 20 0 BHADLO Fc1ccc2cc[nH+]c(NC[C@@H]3CC34CC4)c2c1 ZINC000418982269 192090858 /nfs/dbraw/zinc/09/08/58/192090858.db2.gz RGBYAKJJZXXUSJ-NSHDSACASA-N 1 2 242.297 3.586 20 0 BHADLO CCSCc1ccc(C(C)C)[nH+]c1C ZINC000419389819 192130641 /nfs/dbraw/zinc/13/06/41/192130641.db2.gz UFMQCNVOMBJMTG-UHFFFAOYSA-N 1 2 209.358 3.767 20 0 BHADLO CCn1cc[nH+]c1CSCC1=CCCCC1 ZINC000419427168 192135108 /nfs/dbraw/zinc/13/51/08/192135108.db2.gz YSBWENHVFFNASU-UHFFFAOYSA-N 1 2 236.384 3.637 20 0 BHADLO c1cn(CCSCCC2=CCCCC2)c[nH+]1 ZINC000419549376 192141340 /nfs/dbraw/zinc/14/13/40/192141340.db2.gz TVOSRVXVTJYGHH-UHFFFAOYSA-N 1 2 236.384 3.507 20 0 BHADLO c1ccc(NCc2cccc(C3CC3)c2)[nH+]c1 ZINC000421320566 192316864 /nfs/dbraw/zinc/31/68/64/192316864.db2.gz ANRRHUDIPBHCQA-UHFFFAOYSA-N 1 2 224.307 3.571 20 0 BHADLO CC[C@@H]([NH2+]Cc1cccc(C2CC2)c1)C(F)F ZINC000421375262 192323339 /nfs/dbraw/zinc/32/33/39/192323339.db2.gz CLNOTVFPTFASLX-CYBMUJFWSA-N 1 2 239.309 3.697 20 0 BHADLO CC[C@H]([NH2+]Cc1cccc(C2CC2)c1)C(F)F ZINC000421375263 192322535 /nfs/dbraw/zinc/32/25/35/192322535.db2.gz CLNOTVFPTFASLX-ZDUSSCGKSA-N 1 2 239.309 3.697 20 0 BHADLO Cc1c[nH+]ccc1CCSCc1ccccc1 ZINC000421827432 192386552 /nfs/dbraw/zinc/38/65/52/192386552.db2.gz XQDNXFAFFZHDIX-UHFFFAOYSA-N 1 2 243.375 3.866 20 0 BHADLO Cc1c[nH+]ccc1CCS[C@H](C)C(C)C ZINC000421833145 192390833 /nfs/dbraw/zinc/39/08/33/192390833.db2.gz IGVIBRCBLYCOBG-GFCCVEGCSA-N 1 2 223.385 3.710 20 0 BHADLO Cc1c[nH+]ccc1CCS[C@@H](C)C(C)C ZINC000421833147 192391294 /nfs/dbraw/zinc/39/12/94/192391294.db2.gz IGVIBRCBLYCOBG-LBPRGKRZSA-N 1 2 223.385 3.710 20 0 BHADLO COC1([C@@H](C)Nc2ccc(C)[nH+]c2)CCCCC1 ZINC000421834078 192391396 /nfs/dbraw/zinc/39/13/96/192391396.db2.gz JVWPIQXYELHFCG-CYBMUJFWSA-N 1 2 248.370 3.540 20 0 BHADLO COC1([C@H](C)Nc2ccc(C)[nH+]c2)CCCCC1 ZINC000421834080 192391100 /nfs/dbraw/zinc/39/11/00/192391100.db2.gz JVWPIQXYELHFCG-ZDUSSCGKSA-N 1 2 248.370 3.540 20 0 BHADLO Cc1c[nH+]ccc1CCSCCC(F)(F)F ZINC000421841512 192391864 /nfs/dbraw/zinc/39/18/64/192391864.db2.gz KQRDQZLARORSON-UHFFFAOYSA-N 1 2 249.301 3.618 20 0 BHADLO c1cc(N[C@H]2CCC23CCCC3)cc2c1[NH2+]CC2 ZINC000423208746 387993889 /nfs/dbraw/zinc/99/38/89/387993889.db2.gz DOYXOKZPHMFMQS-HNNXBMFYSA-N 1 2 242.366 3.789 20 0 BHADLO c1cc([NH2+][C@H]2CCC23CCCC3)cc2c1NCC2 ZINC000423208746 387993888 /nfs/dbraw/zinc/99/38/88/387993888.db2.gz DOYXOKZPHMFMQS-HNNXBMFYSA-N 1 2 242.366 3.789 20 0 BHADLO c1cc(N[C@@H]2CCC23CCCC3)cc2c1[NH2+]CC2 ZINC000423208747 387993673 /nfs/dbraw/zinc/99/36/73/387993673.db2.gz DOYXOKZPHMFMQS-OAHLLOKOSA-N 1 2 242.366 3.789 20 0 BHADLO c1cc([NH2+][C@@H]2CCC23CCCC3)cc2c1NCC2 ZINC000423208747 387993671 /nfs/dbraw/zinc/99/36/71/387993671.db2.gz DOYXOKZPHMFMQS-OAHLLOKOSA-N 1 2 242.366 3.789 20 0 BHADLO CC(C)C1CC(Nc2ccc3c(c2)CC[NH2+]3)C1 ZINC000423215211 387996882 /nfs/dbraw/zinc/99/68/82/387996882.db2.gz MLZRXAHBOWRAQB-UHFFFAOYSA-N 1 2 230.355 3.501 20 0 BHADLO CC(C)C1CC([NH2+]c2ccc3c(c2)CCN3)C1 ZINC000423215211 387996876 /nfs/dbraw/zinc/99/68/76/387996876.db2.gz MLZRXAHBOWRAQB-UHFFFAOYSA-N 1 2 230.355 3.501 20 0 BHADLO c1cc(N[C@@H]2CC[C@@H]2C2CCC2)cc2c1[NH2+]CC2 ZINC000423218078 388000572 /nfs/dbraw/zinc/00/05/72/388000572.db2.gz RHXFPBFUGOAWLA-GDBMZVCRSA-N 1 2 242.366 3.645 20 0 BHADLO c1cc([NH2+][C@@H]2CC[C@@H]2C2CCC2)cc2c1NCC2 ZINC000423218078 388000571 /nfs/dbraw/zinc/00/05/71/388000571.db2.gz RHXFPBFUGOAWLA-GDBMZVCRSA-N 1 2 242.366 3.645 20 0 BHADLO c1cc(N[C@@H]2CC[C@H]2C2CCC2)cc2c1[NH2+]CC2 ZINC000423218079 387999474 /nfs/dbraw/zinc/99/94/74/387999474.db2.gz RHXFPBFUGOAWLA-GOEBONIOSA-N 1 2 242.366 3.645 20 0 BHADLO c1cc([NH2+][C@@H]2CC[C@H]2C2CCC2)cc2c1NCC2 ZINC000423218079 387999470 /nfs/dbraw/zinc/99/94/70/387999470.db2.gz RHXFPBFUGOAWLA-GOEBONIOSA-N 1 2 242.366 3.645 20 0 BHADLO c1cc(N[C@H]2CC[C@H]2C2CCC2)cc2c1[NH2+]CC2 ZINC000423218080 387999950 /nfs/dbraw/zinc/99/99/50/387999950.db2.gz RHXFPBFUGOAWLA-HOCLYGCPSA-N 1 2 242.366 3.645 20 0 BHADLO c1cc([NH2+][C@H]2CC[C@H]2C2CCC2)cc2c1NCC2 ZINC000423218080 387999945 /nfs/dbraw/zinc/99/99/45/387999945.db2.gz RHXFPBFUGOAWLA-HOCLYGCPSA-N 1 2 242.366 3.645 20 0 BHADLO c1cc(N[C@H]2CC[C@@H]2C2CCC2)cc2c1[NH2+]CC2 ZINC000423218081 387999925 /nfs/dbraw/zinc/99/99/25/387999925.db2.gz RHXFPBFUGOAWLA-ZBFHGGJFSA-N 1 2 242.366 3.645 20 0 BHADLO c1cc([NH2+][C@H]2CC[C@@H]2C2CCC2)cc2c1NCC2 ZINC000423218081 387999922 /nfs/dbraw/zinc/99/99/22/387999922.db2.gz RHXFPBFUGOAWLA-ZBFHGGJFSA-N 1 2 242.366 3.645 20 0 BHADLO CC(C)[C@@H]1CC[C@H]1Nc1ccc2c(c1)CC[NH2+]2 ZINC000423219201 384778373 /nfs/dbraw/zinc/77/83/73/384778373.db2.gz SWZCSYGWKFGUKE-DZGCQCFKSA-N 1 2 230.355 3.501 20 0 BHADLO CC(C)[C@@H]1CC[C@H]1[NH2+]c1ccc2c(c1)CCN2 ZINC000423219201 384778368 /nfs/dbraw/zinc/77/83/68/384778368.db2.gz SWZCSYGWKFGUKE-DZGCQCFKSA-N 1 2 230.355 3.501 20 0 BHADLO CC(C)[C@H]1CC[C@@H]1Nc1ccc2c(c1)CC[NH2+]2 ZINC000423219203 384779758 /nfs/dbraw/zinc/77/97/58/384779758.db2.gz SWZCSYGWKFGUKE-HIFRSBDPSA-N 1 2 230.355 3.501 20 0 BHADLO CC(C)[C@H]1CC[C@@H]1[NH2+]c1ccc2c(c1)CCN2 ZINC000423219203 384779753 /nfs/dbraw/zinc/77/97/53/384779753.db2.gz SWZCSYGWKFGUKE-HIFRSBDPSA-N 1 2 230.355 3.501 20 0 BHADLO CC(C)[C@H]1CC[C@H]1Nc1ccc2c(c1)CC[NH2+]2 ZINC000423219205 384780002 /nfs/dbraw/zinc/78/00/02/384780002.db2.gz SWZCSYGWKFGUKE-UKRRQHHQSA-N 1 2 230.355 3.501 20 0 BHADLO CC(C)[C@H]1CC[C@H]1[NH2+]c1ccc2c(c1)CCN2 ZINC000423219205 384779994 /nfs/dbraw/zinc/77/99/94/384779994.db2.gz SWZCSYGWKFGUKE-UKRRQHHQSA-N 1 2 230.355 3.501 20 0 BHADLO CC(C)[C@@H]1CC[C@@H]1Nc1ccc2c(c1)CC[NH2+]2 ZINC000423219207 384778017 /nfs/dbraw/zinc/77/80/17/384778017.db2.gz SWZCSYGWKFGUKE-ZFWWWQNUSA-N 1 2 230.355 3.501 20 0 BHADLO CC(C)[C@@H]1CC[C@@H]1[NH2+]c1ccc2c(c1)CCN2 ZINC000423219207 384778009 /nfs/dbraw/zinc/77/80/09/384778009.db2.gz SWZCSYGWKFGUKE-ZFWWWQNUSA-N 1 2 230.355 3.501 20 0 BHADLO C[C@@H](Nc1ccc2c(c1)CC[NH2+]2)c1ccccc1 ZINC000423221879 388001830 /nfs/dbraw/zinc/00/18/30/388001830.db2.gz YNRDVHFGQCPSEP-GFCCVEGCSA-N 1 2 238.334 3.828 20 0 BHADLO C[C@H](Nc1ccc2c(c1)CC[NH2+]2)c1ccccc1 ZINC000423221880 388001702 /nfs/dbraw/zinc/00/17/02/388001702.db2.gz YNRDVHFGQCPSEP-LBPRGKRZSA-N 1 2 238.334 3.828 20 0 BHADLO CC1=C[C@@H](C)C[C@@H](C[NH2+][C@@H](C)C(F)(F)F)C1 ZINC000424182404 387898206 /nfs/dbraw/zinc/89/82/06/387898206.db2.gz HCZBNJCARORTJL-DVVUODLYSA-N 1 2 235.293 3.519 20 0 BHADLO CC1=C[C@@H](C)C[C@@H](C[NH2+][C@H](C)C(F)(F)F)C1 ZINC000424182408 387897187 /nfs/dbraw/zinc/89/71/87/387897187.db2.gz HCZBNJCARORTJL-FBIMIBRVSA-N 1 2 235.293 3.519 20 0 BHADLO CC1=C[C@@H](C)C[C@H](C[NH2+][C@H](C)C(F)(F)F)C1 ZINC000424182409 387896957 /nfs/dbraw/zinc/89/69/57/387896957.db2.gz HCZBNJCARORTJL-IEBDPFPHSA-N 1 2 235.293 3.519 20 0 BHADLO CC1=C[C@@H](C)C[C@H](C[NH2+][C@@H](C)C(F)(F)F)C1 ZINC000424182410 387898348 /nfs/dbraw/zinc/89/83/48/387898348.db2.gz HCZBNJCARORTJL-MIMYLULJSA-N 1 2 235.293 3.519 20 0 BHADLO CC[C@@H](C)C[C@H](CC)[NH2+][C@H](C)C(F)(F)F ZINC000424321967 387971890 /nfs/dbraw/zinc/97/18/90/387971890.db2.gz KSGWWPSLXLPQPZ-BBBLOLIVSA-N 1 2 225.298 3.742 20 0 BHADLO CC[C@@H](C)C[C@@H](CC)[NH2+][C@@H](C)C(F)(F)F ZINC000424321968 387971724 /nfs/dbraw/zinc/97/17/24/387971724.db2.gz KSGWWPSLXLPQPZ-KXUCPTDWSA-N 1 2 225.298 3.742 20 0 BHADLO CC[C@@H](C)C[C@@H](CC)[NH2+][C@H](C)C(F)(F)F ZINC000424321969 387972267 /nfs/dbraw/zinc/97/22/67/387972267.db2.gz KSGWWPSLXLPQPZ-OPRDCNLKSA-N 1 2 225.298 3.742 20 0 BHADLO CC[C@@H](C)C[C@H](CC)[NH2+][C@@H](C)C(F)(F)F ZINC000424321970 387970839 /nfs/dbraw/zinc/97/08/39/387970839.db2.gz KSGWWPSLXLPQPZ-UTLUCORTSA-N 1 2 225.298 3.742 20 0 BHADLO CCC[C@@H](C)[C@H](CC)[NH2+][C@H](C)C(F)(F)F ZINC000424327351 387975536 /nfs/dbraw/zinc/97/55/36/387975536.db2.gz PQKPMRQLIRGXFN-BBBLOLIVSA-N 1 2 225.298 3.742 20 0 BHADLO CCC[C@@H](C)[C@@H](CC)[NH2+][C@@H](C)C(F)(F)F ZINC000424327352 387975451 /nfs/dbraw/zinc/97/54/51/387975451.db2.gz PQKPMRQLIRGXFN-KXUCPTDWSA-N 1 2 225.298 3.742 20 0 BHADLO CCC[C@@H](C)[C@@H](CC)[NH2+][C@H](C)C(F)(F)F ZINC000424327353 387974875 /nfs/dbraw/zinc/97/48/75/387974875.db2.gz PQKPMRQLIRGXFN-OPRDCNLKSA-N 1 2 225.298 3.742 20 0 BHADLO CCC[C@@H](C)[C@H](CC)[NH2+][C@@H](C)C(F)(F)F ZINC000424327354 387975478 /nfs/dbraw/zinc/97/54/78/387975478.db2.gz PQKPMRQLIRGXFN-UTLUCORTSA-N 1 2 225.298 3.742 20 0 BHADLO CCCC[C@@H](C)[C@@H](C)[NH2+][C@@H](C)C(F)(F)F ZINC000424328320 359728766 /nfs/dbraw/zinc/72/87/66/359728766.db2.gz QLJUZENNXTYAAU-BBBLOLIVSA-N 1 2 225.298 3.742 20 0 BHADLO CCCC[C@@H](C)[C@H](C)[NH2+][C@H](C)C(F)(F)F ZINC000424328322 387975156 /nfs/dbraw/zinc/97/51/56/387975156.db2.gz QLJUZENNXTYAAU-KXUCPTDWSA-N 1 2 225.298 3.742 20 0 BHADLO CCCC[C@@H](C)[C@@H](C)[NH2+][C@H](C)C(F)(F)F ZINC000424328323 387975137 /nfs/dbraw/zinc/97/51/37/387975137.db2.gz QLJUZENNXTYAAU-OPRDCNLKSA-N 1 2 225.298 3.742 20 0 BHADLO CCCC[C@@H](C)[C@H](C)[NH2+][C@@H](C)C(F)(F)F ZINC000424328325 206036790 /nfs/dbraw/zinc/03/67/90/206036790.db2.gz QLJUZENNXTYAAU-UTLUCORTSA-N 1 2 225.298 3.742 20 0 BHADLO C[C@H]([NH2+][C@H]1C[C@]1(F)c1ccccc1)c1ccco1 ZINC000424337587 387979821 /nfs/dbraw/zinc/97/98/21/387979821.db2.gz ZPIJOXMIWRBYKC-CQDKDKBSSA-N 1 2 245.297 3.568 20 0 BHADLO C[C@H]([NH2+][C@@H]1C[C@]1(F)c1ccccc1)c1ccco1 ZINC000424337588 387980943 /nfs/dbraw/zinc/98/09/43/387980943.db2.gz ZPIJOXMIWRBYKC-GLQYFDAESA-N 1 2 245.297 3.568 20 0 BHADLO C[C@H]([NH2+][C@@H]1C[C@@]1(F)c1ccccc1)c1ccco1 ZINC000424337589 387980654 /nfs/dbraw/zinc/98/06/54/387980654.db2.gz ZPIJOXMIWRBYKC-NILFDRSVSA-N 1 2 245.297 3.568 20 0 BHADLO C[C@H]([NH2+][C@H]1C[C@@]1(F)c1ccccc1)c1ccco1 ZINC000424337590 200918207 /nfs/dbraw/zinc/91/82/07/200918207.db2.gz ZPIJOXMIWRBYKC-TUKIKUTGSA-N 1 2 245.297 3.568 20 0 BHADLO Fc1ccc2cc[nH+]c(N[C@@H]3C[C@H]4C[C@H]4C3)c2c1 ZINC000425312984 386562323 /nfs/dbraw/zinc/56/23/23/386562323.db2.gz ZTHJCXPLBXTMFZ-PTEHBNRSSA-N 1 2 242.297 3.584 20 0 BHADLO CC1=CCC[C@@H](C)[C@@H]1C[NH2+][C@H](C)C(F)(F)F ZINC000425355812 386966021 /nfs/dbraw/zinc/96/60/21/386966021.db2.gz PMFIZDVCUGCHSI-GMTAPVOTSA-N 1 2 235.293 3.519 20 0 BHADLO CC1=CCC[C@@H](C)[C@H]1C[NH2+][C@H](C)C(F)(F)F ZINC000425355814 386965225 /nfs/dbraw/zinc/96/52/25/386965225.db2.gz PMFIZDVCUGCHSI-MXWKQRLJSA-N 1 2 235.293 3.519 20 0 BHADLO CC1=CCC[C@@H](C)[C@@H]1C[NH2+][C@@H](C)C(F)(F)F ZINC000425355815 386966291 /nfs/dbraw/zinc/96/62/91/386966291.db2.gz PMFIZDVCUGCHSI-OUAUKWLOSA-N 1 2 235.293 3.519 20 0 BHADLO CC1=CCC[C@@H](C)[C@H]1C[NH2+][C@@H](C)C(F)(F)F ZINC000425355816 386965240 /nfs/dbraw/zinc/96/52/40/386965240.db2.gz PMFIZDVCUGCHSI-VWYCJHECSA-N 1 2 235.293 3.519 20 0 BHADLO CC[C@H](CC(C)C)C(=O)Nc1c(C)cc[nH+]c1C ZINC000425577921 386657705 /nfs/dbraw/zinc/65/77/05/386657705.db2.gz BHJXZBKABZAYSP-CYBMUJFWSA-N 1 2 248.370 3.709 20 0 BHADLO CC[C@@H](CC(C)C)C(=O)Nc1c(C)cc[nH+]c1C ZINC000425577922 205911937 /nfs/dbraw/zinc/91/19/37/205911937.db2.gz BHJXZBKABZAYSP-ZDUSSCGKSA-N 1 2 248.370 3.709 20 0 BHADLO Cc1cc[nH+]c(C)c1NC(=O)[C@H](C)CC(C)(C)C ZINC000425579070 386658626 /nfs/dbraw/zinc/65/86/26/386658626.db2.gz CFCOTLSDISUFIB-LLVKDONJSA-N 1 2 248.370 3.709 20 0 BHADLO Cc1cc[nH+]c(C)c1NC(=O)[C@@H](C)CC(C)(C)C ZINC000425579072 386657351 /nfs/dbraw/zinc/65/73/51/386657351.db2.gz CFCOTLSDISUFIB-NSHDSACASA-N 1 2 248.370 3.709 20 0 BHADLO CCC(CC)[C@@H](C)C(=O)Nc1c(C)cc[nH+]c1C ZINC000425579514 386657473 /nfs/dbraw/zinc/65/74/73/386657473.db2.gz CPHYACWZQBUUOF-LLVKDONJSA-N 1 2 248.370 3.709 20 0 BHADLO CCC(CC)[C@H](C)C(=O)Nc1c(C)cc[nH+]c1C ZINC000425579515 386657146 /nfs/dbraw/zinc/65/71/46/386657146.db2.gz CPHYACWZQBUUOF-NSHDSACASA-N 1 2 248.370 3.709 20 0 BHADLO Cc1cc[nH+]c(C)c1NC(=O)CCCC(C)(C)C ZINC000425584832 386657573 /nfs/dbraw/zinc/65/75/73/386657573.db2.gz FTNCJFJAMAOHFT-UHFFFAOYSA-N 1 2 248.370 3.853 20 0 BHADLO CC[C@H](CC(=O)Nc1c(C)cc[nH+]c1C)C(C)C ZINC000425586017 386658225 /nfs/dbraw/zinc/65/82/25/386658225.db2.gz JZOFJPXZRRZFGS-CYBMUJFWSA-N 1 2 248.370 3.709 20 0 BHADLO CC[C@@H](CC(=O)Nc1c(C)cc[nH+]c1C)C(C)C ZINC000425586018 386657339 /nfs/dbraw/zinc/65/73/39/386657339.db2.gz JZOFJPXZRRZFGS-ZDUSSCGKSA-N 1 2 248.370 3.709 20 0 BHADLO Cc1cc[nH+]c(C)c1NC(=O)C[C@H](C)CC(C)C ZINC000425590038 386659730 /nfs/dbraw/zinc/65/97/30/386659730.db2.gz VARQSURYPZBJHE-LLVKDONJSA-N 1 2 248.370 3.709 20 0 BHADLO Cc1cc[nH+]c(C)c1NC(=O)C[C@@H](C)CC(C)C ZINC000425590040 386660291 /nfs/dbraw/zinc/66/02/91/386660291.db2.gz VARQSURYPZBJHE-NSHDSACASA-N 1 2 248.370 3.709 20 0 BHADLO Cc1cc[nH+]c(C)c1NC(=O)C[C@@H](C)C(C)(C)C ZINC000425590058 386660287 /nfs/dbraw/zinc/66/02/87/386660287.db2.gz VEIYHPIHQSZOAR-LLVKDONJSA-N 1 2 248.370 3.709 20 0 BHADLO Cc1cc[nH+]c(C)c1NC(=O)C[C@H](C)C(C)(C)C ZINC000425590060 386660346 /nfs/dbraw/zinc/66/03/46/386660346.db2.gz VEIYHPIHQSZOAR-NSHDSACASA-N 1 2 248.370 3.709 20 0 BHADLO CCCC[C@@H](CC)C(=O)Nc1c(C)cc[nH+]c1C ZINC000425590131 386660130 /nfs/dbraw/zinc/66/01/30/386660130.db2.gz VQZSJWOENFRVED-CYBMUJFWSA-N 1 2 248.370 3.853 20 0 BHADLO CCCC[C@H](CC)C(=O)Nc1c(C)cc[nH+]c1C ZINC000425590133 386659660 /nfs/dbraw/zinc/65/96/60/386659660.db2.gz VQZSJWOENFRVED-ZDUSSCGKSA-N 1 2 248.370 3.853 20 0 BHADLO CCCC(CCC)C(=O)Nc1c(C)cc[nH+]c1C ZINC000425595644 527998633 /nfs/dbraw/zinc/99/86/33/527998633.db2.gz IPKRCUMWCKVTBB-UHFFFAOYSA-N 1 2 248.370 3.853 20 0 BHADLO CCC[C@@H](C(=O)Nc1c(C)cc[nH+]c1C)C(C)C ZINC000425596916 387526163 /nfs/dbraw/zinc/52/61/63/387526163.db2.gz QEKJJODYXIMAIT-CYBMUJFWSA-N 1 2 248.370 3.709 20 0 BHADLO CCC[C@H](C(=O)Nc1c(C)cc[nH+]c1C)C(C)C ZINC000425596917 387525752 /nfs/dbraw/zinc/52/57/52/387525752.db2.gz QEKJJODYXIMAIT-ZDUSSCGKSA-N 1 2 248.370 3.709 20 0 BHADLO CCCC(C)(C)CC(=O)Nc1c(C)cc[nH+]c1C ZINC000425597261 387524643 /nfs/dbraw/zinc/52/46/43/387524643.db2.gz RYAGXGKKZPLVRM-UHFFFAOYSA-N 1 2 248.370 3.853 20 0 BHADLO Cc1cc[nH+]c(C)c1NC(=O)CCCCC(C)C ZINC000425598360 192026297 /nfs/dbraw/zinc/02/62/97/192026297.db2.gz WHUXBGTYMDIAFE-UHFFFAOYSA-N 1 2 248.370 3.853 20 0 BHADLO CC[N@@H+](C[C@H]1CCSC1)c1ccccc1C ZINC000425975826 387099223 /nfs/dbraw/zinc/09/92/23/387099223.db2.gz HPYDOQLRCAORJZ-CYBMUJFWSA-N 1 2 235.396 3.574 20 0 BHADLO CC[N@H+](C[C@H]1CCSC1)c1ccccc1C ZINC000425975826 387099220 /nfs/dbraw/zinc/09/92/20/387099220.db2.gz HPYDOQLRCAORJZ-CYBMUJFWSA-N 1 2 235.396 3.574 20 0 BHADLO CC[N@@H+](C[C@@H]1CCSC1)c1ccccc1C ZINC000425975827 387100277 /nfs/dbraw/zinc/10/02/77/387100277.db2.gz HPYDOQLRCAORJZ-ZDUSSCGKSA-N 1 2 235.396 3.574 20 0 BHADLO CC[N@H+](C[C@@H]1CCSC1)c1ccccc1C ZINC000425975827 387100274 /nfs/dbraw/zinc/10/02/74/387100274.db2.gz HPYDOQLRCAORJZ-ZDUSSCGKSA-N 1 2 235.396 3.574 20 0 BHADLO Cc1ccsc1C[N@@H+]1CC[C@H](C)C(F)(F)C1 ZINC000426377323 387563205 /nfs/dbraw/zinc/56/32/05/387563205.db2.gz IDODTPBUPBWMFQ-JTQLQIEISA-N 1 2 245.338 3.534 20 0 BHADLO Cc1ccsc1C[N@H+]1CC[C@H](C)C(F)(F)C1 ZINC000426377323 387563201 /nfs/dbraw/zinc/56/32/01/387563201.db2.gz IDODTPBUPBWMFQ-JTQLQIEISA-N 1 2 245.338 3.534 20 0 BHADLO Cc1ccsc1C[N@@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000426377329 387563390 /nfs/dbraw/zinc/56/33/90/387563390.db2.gz IDODTPBUPBWMFQ-SNVBAGLBSA-N 1 2 245.338 3.534 20 0 BHADLO Cc1ccsc1C[N@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000426377329 387563386 /nfs/dbraw/zinc/56/33/86/387563386.db2.gz IDODTPBUPBWMFQ-SNVBAGLBSA-N 1 2 245.338 3.534 20 0 BHADLO Cc1ccc(C[N@@H+]2CC[C@@H](C)C(F)(F)C2)s1 ZINC000426389815 387563167 /nfs/dbraw/zinc/56/31/67/387563167.db2.gz MOZOLPXLGRKWGU-SECBINFHSA-N 1 2 245.338 3.534 20 0 BHADLO Cc1ccc(C[N@H+]2CC[C@@H](C)C(F)(F)C2)s1 ZINC000426389815 387563163 /nfs/dbraw/zinc/56/31/63/387563163.db2.gz MOZOLPXLGRKWGU-SECBINFHSA-N 1 2 245.338 3.534 20 0 BHADLO Cc1ccc(C[N@@H+]2CC[C@H](C)C(F)(F)C2)s1 ZINC000426389816 387563592 /nfs/dbraw/zinc/56/35/92/387563592.db2.gz MOZOLPXLGRKWGU-VIFPVBQESA-N 1 2 245.338 3.534 20 0 BHADLO Cc1ccc(C[N@H+]2CC[C@H](C)C(F)(F)C2)s1 ZINC000426389816 387563588 /nfs/dbraw/zinc/56/35/88/387563588.db2.gz MOZOLPXLGRKWGU-VIFPVBQESA-N 1 2 245.338 3.534 20 0 BHADLO Cc1ccc(C)c([N@H+](CCCCCO)C(C)C)c1 ZINC000428280200 201006377 /nfs/dbraw/zinc/00/63/77/201006377.db2.gz LVJLZORBEWJCSQ-UHFFFAOYSA-N 1 2 249.398 3.681 20 0 BHADLO Cc1ccc(C)c([N@@H+](CCCCCO)C(C)C)c1 ZINC000428280200 201006375 /nfs/dbraw/zinc/00/63/75/201006375.db2.gz LVJLZORBEWJCSQ-UHFFFAOYSA-N 1 2 249.398 3.681 20 0 BHADLO Cc1ccc(C)c2[nH+]c(-c3cccc(O)c3)[nH]c21 ZINC000430945647 201160317 /nfs/dbraw/zinc/16/03/17/201160317.db2.gz XZFKNMVTMFUDSI-UHFFFAOYSA-N 1 2 238.290 3.552 20 0 BHADLO Cc1ccc(C)c2[nH+]c(-c3ccsc3)[nH]c21 ZINC000430948112 201160026 /nfs/dbraw/zinc/16/00/26/201160026.db2.gz DRBVTWXXNCFALD-UHFFFAOYSA-N 1 2 228.320 3.908 20 0 BHADLO CCCc1ccc(COc2cc[nH+]cc2)cc1 ZINC000431467867 387711685 /nfs/dbraw/zinc/71/16/85/387711685.db2.gz AUZIRSITOARBQE-UHFFFAOYSA-N 1 2 227.307 3.613 20 0 BHADLO FC(F)c1ccc(COc2cc[nH+]cc2)cc1 ZINC000431477852 387710929 /nfs/dbraw/zinc/71/09/29/387710929.db2.gz NCUVXQFUBSUZQP-UHFFFAOYSA-N 1 2 235.233 3.598 20 0 BHADLO c1cc(OCc2ccc(C3CCC3)cc2)cc[nH+]1 ZINC000431479333 387710586 /nfs/dbraw/zinc/71/05/86/387710586.db2.gz XRDKIRXTWUZGCJ-UHFFFAOYSA-N 1 2 239.318 3.928 20 0 BHADLO CC(C)c1nc(NC(C)(C)C(C)(C)C)cc[nH+]1 ZINC000431481109 192918643 /nfs/dbraw/zinc/91/86/43/192918643.db2.gz AXQRNOSPBQFXAQ-UHFFFAOYSA-N 1 2 235.375 3.837 20 0 BHADLO Cc1cc(C)c(COc2cc[nH+]cc2)c(C)c1 ZINC000431481257 387710212 /nfs/dbraw/zinc/71/02/12/387710212.db2.gz BNWNXDSCEMYKLE-UHFFFAOYSA-N 1 2 227.307 3.586 20 0 BHADLO CC(C)(C)C(C)(C)Nc1cc[nH+]c(C2CC2)n1 ZINC000431482137 387710915 /nfs/dbraw/zinc/71/09/15/387710915.db2.gz FGFJDUDYHJNXLB-UHFFFAOYSA-N 1 2 233.359 3.591 20 0 BHADLO c1cc(OCCSC2CCCCC2)cc[nH+]1 ZINC000431488215 387713934 /nfs/dbraw/zinc/71/39/34/387713934.db2.gz DKIKTVSNXLUZSK-UHFFFAOYSA-N 1 2 237.368 3.526 20 0 BHADLO Cc1ccc(COc2cc[nH+]cc2)c(Cl)c1 ZINC000431491838 387714097 /nfs/dbraw/zinc/71/40/97/387714097.db2.gz ZAEHANPZANUPOR-UHFFFAOYSA-N 1 2 233.698 3.622 20 0 BHADLO Fc1ccc([C@H]2C[C@H](Nc3cccc[nH+]3)C2)cc1 ZINC000431494453 387713582 /nfs/dbraw/zinc/71/35/82/387713582.db2.gz GMMZGROAJJUUOK-MQMHXKEQSA-N 1 2 242.297 3.579 20 0 BHADLO Cc1nc2[nH]ccc2c(NC(C)(C)C(C)(C)C)[nH+]1 ZINC000431496701 387713116 /nfs/dbraw/zinc/71/31/16/387713116.db2.gz SVQTXMLMAMKXHC-UHFFFAOYSA-N 1 2 246.358 3.503 20 0 BHADLO c1ccc([C@H](CNc2cccc[nH+]2)C2CC2)cc1 ZINC000431500486 192919142 /nfs/dbraw/zinc/91/91/42/192919142.db2.gz RTMBMSMHTWROSR-HNNXBMFYSA-N 1 2 238.334 3.687 20 0 BHADLO c1ccc([C@@H](CNc2cccc[nH+]2)C2CC2)cc1 ZINC000431500487 192102025 /nfs/dbraw/zinc/10/20/25/192102025.db2.gz RTMBMSMHTWROSR-OAHLLOKOSA-N 1 2 238.334 3.687 20 0 BHADLO Clc1ccc(/C=C/COc2cc[nH+]cc2)cc1 ZINC000431512063 387714547 /nfs/dbraw/zinc/71/45/47/387714547.db2.gz NBHQBITVEWGHKG-OWOJBTEDSA-N 1 2 245.709 3.827 20 0 BHADLO Clc1ccc(/C=C\COc2cc[nH+]cc2)cc1 ZINC000431512064 387712874 /nfs/dbraw/zinc/71/28/74/387712874.db2.gz NBHQBITVEWGHKG-UPHRSURJSA-N 1 2 245.709 3.827 20 0 BHADLO Clc1ccccc1CCCOc1cc[nH+]cc1 ZINC000431512715 387714589 /nfs/dbraw/zinc/71/45/89/387714589.db2.gz HLPWUXZWVWSXDY-UHFFFAOYSA-N 1 2 247.725 3.747 20 0 BHADLO FC(F)c1cccc(COc2cc[nH+]cc2)c1 ZINC000431514317 387716785 /nfs/dbraw/zinc/71/67/85/387716785.db2.gz PQVBNHUXHYXWHK-UHFFFAOYSA-N 1 2 235.233 3.598 20 0 BHADLO c1ccc2cc(COc3cc[nH+]cc3)ccc2c1 ZINC000431514400 387716841 /nfs/dbraw/zinc/71/68/41/387716841.db2.gz YXLDVQHXKARHAJ-UHFFFAOYSA-N 1 2 235.286 3.814 20 0 BHADLO CC(F)(F)c1ccc(CNc2cccc[nH+]2)cc1 ZINC000432178609 387769977 /nfs/dbraw/zinc/76/99/77/387769977.db2.gz UPMQXXUHOQHUJE-UHFFFAOYSA-N 1 2 248.276 3.805 20 0 BHADLO Fc1ccc(C[NH+]2CCCC2)c(Cl)c1Cl ZINC000432251009 387776611 /nfs/dbraw/zinc/77/66/11/387776611.db2.gz PESSSVWOOIZRGQ-UHFFFAOYSA-N 1 2 248.128 3.728 20 0 BHADLO CC[N@@H+](CCC1CCOCC1)c1ccccc1C ZINC000432810890 192372733 /nfs/dbraw/zinc/37/27/33/192372733.db2.gz JBZTWSBQJQXNCT-UHFFFAOYSA-N 1 2 247.382 3.638 20 0 BHADLO CC[N@H+](CCC1CCOCC1)c1ccccc1C ZINC000432810890 192372731 /nfs/dbraw/zinc/37/27/31/192372731.db2.gz JBZTWSBQJQXNCT-UHFFFAOYSA-N 1 2 247.382 3.638 20 0 BHADLO CC[N@@H+](CCC1CCOCC1)c1cccc(C)c1 ZINC000432815214 387827651 /nfs/dbraw/zinc/82/76/51/387827651.db2.gz DLJWKXLGWLMBMZ-UHFFFAOYSA-N 1 2 247.382 3.638 20 0 BHADLO CC[N@H+](CCC1CCOCC1)c1cccc(C)c1 ZINC000432815214 387827646 /nfs/dbraw/zinc/82/76/46/387827646.db2.gz DLJWKXLGWLMBMZ-UHFFFAOYSA-N 1 2 247.382 3.638 20 0 BHADLO CC(C)[N@@H+](CCC1CCOCC1)c1ccccc1 ZINC000432816635 387828890 /nfs/dbraw/zinc/82/88/90/387828890.db2.gz AVDPAABKOIZHMS-UHFFFAOYSA-N 1 2 247.382 3.718 20 0 BHADLO CC(C)[N@H+](CCC1CCOCC1)c1ccccc1 ZINC000432816635 387828885 /nfs/dbraw/zinc/82/88/85/387828885.db2.gz AVDPAABKOIZHMS-UHFFFAOYSA-N 1 2 247.382 3.718 20 0 BHADLO Cc1cccc([N@@H+](C)CCC2CCOCC2)c1C ZINC000432928859 192391959 /nfs/dbraw/zinc/39/19/59/192391959.db2.gz AAEUHEQPJHNOKX-UHFFFAOYSA-N 1 2 247.382 3.556 20 0 BHADLO Cc1cccc([N@H+](C)CCC2CCOCC2)c1C ZINC000432928859 192391958 /nfs/dbraw/zinc/39/19/58/192391958.db2.gz AAEUHEQPJHNOKX-UHFFFAOYSA-N 1 2 247.382 3.556 20 0 BHADLO Cc1ccc(C)c([N@@H+](C)CCC2CCOCC2)c1 ZINC000432928974 387844367 /nfs/dbraw/zinc/84/43/67/387844367.db2.gz AXSFRNRLQOYKOQ-UHFFFAOYSA-N 1 2 247.382 3.556 20 0 BHADLO Cc1ccc(C)c([N@H+](C)CCC2CCOCC2)c1 ZINC000432928974 387844361 /nfs/dbraw/zinc/84/43/61/387844361.db2.gz AXSFRNRLQOYKOQ-UHFFFAOYSA-N 1 2 247.382 3.556 20 0 BHADLO Cc1cc(C)cc([N@@H+](C)CCC2CCOCC2)c1 ZINC000432932722 387840729 /nfs/dbraw/zinc/84/07/29/387840729.db2.gz QSKKDNSXKHOZOJ-UHFFFAOYSA-N 1 2 247.382 3.556 20 0 BHADLO Cc1cc(C)cc([N@H+](C)CCC2CCOCC2)c1 ZINC000432932722 387840725 /nfs/dbraw/zinc/84/07/25/387840725.db2.gz QSKKDNSXKHOZOJ-UHFFFAOYSA-N 1 2 247.382 3.556 20 0 BHADLO FC(F)[C@H]([NH2+]CC1CCCC1)c1ccccc1 ZINC000433044109 397915376 /nfs/dbraw/zinc/91/53/76/397915376.db2.gz LYPXECRIIPRTLA-CYBMUJFWSA-N 1 2 239.309 3.773 20 0 BHADLO FC(F)[C@@H]([NH2+]CC1CCCC1)c1ccccc1 ZINC000433044110 397915771 /nfs/dbraw/zinc/91/57/71/397915771.db2.gz LYPXECRIIPRTLA-ZDUSSCGKSA-N 1 2 239.309 3.773 20 0 BHADLO CC/C=C\CC[NH2+][C@H](c1ccccc1)C(F)F ZINC000433048540 397917015 /nfs/dbraw/zinc/91/70/15/397917015.db2.gz NQFYQOLNEUJZSN-DHCBQETCSA-N 1 2 239.309 3.939 20 0 BHADLO CC/C=C/CC[NH2+][C@H](c1ccccc1)C(F)F ZINC000433048541 397916979 /nfs/dbraw/zinc/91/69/79/397916979.db2.gz NQFYQOLNEUJZSN-ITDFMYJTSA-N 1 2 239.309 3.939 20 0 BHADLO CC/C=C/CC[NH2+][C@@H](c1ccccc1)C(F)F ZINC000433048542 397916537 /nfs/dbraw/zinc/91/65/37/397916537.db2.gz NQFYQOLNEUJZSN-OOPCZODUSA-N 1 2 239.309 3.939 20 0 BHADLO CC/C=C\CC[NH2+][C@@H](c1ccccc1)C(F)F ZINC000433048543 397917085 /nfs/dbraw/zinc/91/70/85/397917085.db2.gz NQFYQOLNEUJZSN-SCOBNMCVSA-N 1 2 239.309 3.939 20 0 BHADLO FC(F)[C@H]([NH2+][C@@H]1C=CCCC1)c1ccccc1 ZINC000433057895 387857986 /nfs/dbraw/zinc/85/79/86/387857986.db2.gz NOCMBKJUKYEPME-CHWSQXEVSA-N 1 2 237.293 3.691 20 0 BHADLO FC(F)[C@@H]([NH2+][C@@H]1C=CCCC1)c1ccccc1 ZINC000433057896 387857789 /nfs/dbraw/zinc/85/77/89/387857789.db2.gz NOCMBKJUKYEPME-OLZOCXBDSA-N 1 2 237.293 3.691 20 0 BHADLO FC(F)[C@H]([NH2+][C@H]1C=CCCC1)c1ccccc1 ZINC000433057897 387858458 /nfs/dbraw/zinc/85/84/58/387858458.db2.gz NOCMBKJUKYEPME-QWHCGFSZSA-N 1 2 237.293 3.691 20 0 BHADLO FC(F)[C@@H]([NH2+][C@H]1C=CCCC1)c1ccccc1 ZINC000433057898 387858292 /nfs/dbraw/zinc/85/82/92/387858292.db2.gz NOCMBKJUKYEPME-STQMWFEESA-N 1 2 237.293 3.691 20 0 BHADLO Cc1ccc(COc2ccc(C)c(F)c2)c(C)[nH+]1 ZINC000433335935 201182323 /nfs/dbraw/zinc/18/23/23/201182323.db2.gz SANPPFHDFYVDJZ-UHFFFAOYSA-N 1 2 245.297 3.725 20 0 BHADLO CC[C@@H](Nc1[nH+]c(C)nc2[nH]ccc21)C(C)(C)C ZINC000433781314 201193631 /nfs/dbraw/zinc/19/36/31/201193631.db2.gz FXRKULHPCRZJFY-LLVKDONJSA-N 1 2 246.358 3.503 20 0 BHADLO CC[C@H](Nc1[nH+]c(C)nc2[nH]ccc21)C(C)(C)C ZINC000433781315 201193181 /nfs/dbraw/zinc/19/31/81/201193181.db2.gz FXRKULHPCRZJFY-NSHDSACASA-N 1 2 246.358 3.503 20 0 BHADLO CC(C)C[NH2+][C@H](c1cc(F)ccc1F)C(F)F ZINC000434666519 201231586 /nfs/dbraw/zinc/23/15/86/201231586.db2.gz QUYMFYGRMMRZLY-LLVKDONJSA-N 1 2 249.251 3.517 20 0 BHADLO CC(C)C[NH2+][C@@H](c1cc(F)ccc1F)C(F)F ZINC000434666520 201232210 /nfs/dbraw/zinc/23/22/10/201232210.db2.gz QUYMFYGRMMRZLY-NSHDSACASA-N 1 2 249.251 3.517 20 0 BHADLO Clc1ccc(C[N@H+]2CC[C@@H]2c2ccccc2)o1 ZINC000434983425 201247933 /nfs/dbraw/zinc/24/79/33/201247933.db2.gz RDGAOPCNOYCRCQ-CYBMUJFWSA-N 1 2 247.725 3.880 20 0 BHADLO Clc1ccc(C[N@@H+]2CC[C@@H]2c2ccccc2)o1 ZINC000434983425 201247930 /nfs/dbraw/zinc/24/79/30/201247930.db2.gz RDGAOPCNOYCRCQ-CYBMUJFWSA-N 1 2 247.725 3.880 20 0 BHADLO Clc1ccc(C[N@H+]2CC[C@H]2c2ccccc2)o1 ZINC000434983426 201246935 /nfs/dbraw/zinc/24/69/35/201246935.db2.gz RDGAOPCNOYCRCQ-ZDUSSCGKSA-N 1 2 247.725 3.880 20 0 BHADLO Clc1ccc(C[N@@H+]2CC[C@H]2c2ccccc2)o1 ZINC000434983426 201246932 /nfs/dbraw/zinc/24/69/32/201246932.db2.gz RDGAOPCNOYCRCQ-ZDUSSCGKSA-N 1 2 247.725 3.880 20 0 BHADLO CC1=CCCN(c2[nH+]ccc3ccc(F)cc32)C1 ZINC000435583045 201276842 /nfs/dbraw/zinc/27/68/42/201276842.db2.gz DHWCHLAKSJSPNM-UHFFFAOYSA-N 1 2 242.297 3.530 20 0 BHADLO Fc1cccc([C@H]2C[C@H](Nc3cccc[nH+]3)C2)c1 ZINC000435586005 201278025 /nfs/dbraw/zinc/27/80/25/201278025.db2.gz WBSHESXKCMTABI-MQMHXKEQSA-N 1 2 242.297 3.579 20 0 BHADLO Fc1ccccc1[C@H]1C[C@H](Nc2cccc[nH+]2)C1 ZINC000435595203 201277481 /nfs/dbraw/zinc/27/74/81/201277481.db2.gz YXSJMKSCPOQWJT-HAQNSBGRSA-N 1 2 242.297 3.579 20 0 BHADLO Cc1cccc2[nH+]c(C3(C)CC3)cc(C)c12 ZINC000435932634 201301668 /nfs/dbraw/zinc/30/16/68/201301668.db2.gz CPAREJAPFMTJOL-UHFFFAOYSA-N 1 2 211.308 3.903 20 0 BHADLO c1cn(CC2CCC(c3ccccc3)CC2)c[nH+]1 ZINC000436043212 201306307 /nfs/dbraw/zinc/30/63/07/201306307.db2.gz QXUOYYIKHGODSM-UHFFFAOYSA-N 1 2 240.350 3.857 20 0 BHADLO Cc1ccc(NC2CC(C(C)(C)C)C2)c[nH+]1 ZINC000436470063 201329419 /nfs/dbraw/zinc/32/94/19/201329419.db2.gz HSEFDFRWFXLSOI-UHFFFAOYSA-N 1 2 218.344 3.627 20 0 BHADLO Fc1ccc2cc[nH+]c(N[C@H]3CCC[C@H]3F)c2c1 ZINC000436728625 386659826 /nfs/dbraw/zinc/65/98/26/386659826.db2.gz MRCBRKNCFNIUMT-OLZOCXBDSA-N 1 2 248.276 3.676 20 0 BHADLO Fc1ccc2cc[nH+]c(N[C@@H]3CCC[C@@H]3F)c2c1 ZINC000436728626 386659072 /nfs/dbraw/zinc/65/90/72/386659072.db2.gz MRCBRKNCFNIUMT-QWHCGFSZSA-N 1 2 248.276 3.676 20 0 BHADLO Cc1ccc(C)c2[nH+]c(-c3ccc(O)cc3)[nH]c21 ZINC000436891707 201340965 /nfs/dbraw/zinc/34/09/65/201340965.db2.gz GZRJFSCLSMRJNI-UHFFFAOYSA-N 1 2 238.290 3.552 20 0 BHADLO Cc1[nH+]cccc1NC[C@@H](C)c1ccc(F)cc1 ZINC000437779997 201372516 /nfs/dbraw/zinc/37/25/16/201372516.db2.gz VKQUAHJLYSYAAQ-LLVKDONJSA-N 1 2 244.313 3.745 20 0 BHADLO Cc1[nH+]cccc1NC[C@H](C)c1ccc(F)cc1 ZINC000437779998 201371568 /nfs/dbraw/zinc/37/15/68/201371568.db2.gz VKQUAHJLYSYAAQ-NSHDSACASA-N 1 2 244.313 3.745 20 0 BHADLO CC[N@@H+](CC(F)F)C[C@H](C)c1ccc(F)cc1 ZINC000438002833 201384312 /nfs/dbraw/zinc/38/43/12/201384312.db2.gz VIFTVFLBHDULBO-JTQLQIEISA-N 1 2 245.288 3.516 20 0 BHADLO CC[N@H+](CC(F)F)C[C@H](C)c1ccc(F)cc1 ZINC000438002833 201384309 /nfs/dbraw/zinc/38/43/09/201384309.db2.gz VIFTVFLBHDULBO-JTQLQIEISA-N 1 2 245.288 3.516 20 0 BHADLO CC[N@@H+](CC(F)F)C[C@@H](C)c1ccc(F)cc1 ZINC000438002835 201383716 /nfs/dbraw/zinc/38/37/16/201383716.db2.gz VIFTVFLBHDULBO-SNVBAGLBSA-N 1 2 245.288 3.516 20 0 BHADLO CC[N@H+](CC(F)F)C[C@@H](C)c1ccc(F)cc1 ZINC000438002835 201383712 /nfs/dbraw/zinc/38/37/12/201383712.db2.gz VIFTVFLBHDULBO-SNVBAGLBSA-N 1 2 245.288 3.516 20 0 BHADLO CC(C)(C)CC[NH2+]c1ccc(-n2ccnc2)cc1 ZINC000438112346 201392476 /nfs/dbraw/zinc/39/24/76/201392476.db2.gz FQPSOAMDBKXLAV-UHFFFAOYSA-N 1 2 243.354 3.720 20 0 BHADLO Cc1cccn2cc(CSCC3CCC3)[nH+]c12 ZINC000439538684 388007489 /nfs/dbraw/zinc/00/74/89/388007489.db2.gz AVZKFNMIQJJVAA-UHFFFAOYSA-N 1 2 246.379 3.676 20 0 BHADLO CCCC(CCC)SCc1c[nH+]cn1C ZINC000439545015 388008931 /nfs/dbraw/zinc/00/89/31/388008931.db2.gz USCOOSOWOUJBIT-UHFFFAOYSA-N 1 2 226.389 3.622 20 0 BHADLO CC(C)SCc1cn2cc(Cl)ccc2[nH+]1 ZINC000439545275 388009585 /nfs/dbraw/zinc/00/95/85/388009585.db2.gz UAFVMGSAJQAHIA-UHFFFAOYSA-N 1 2 240.759 3.629 20 0 BHADLO Cc1ccc(C)c([N@H+](CC2(C)COC2)C(C)C)c1 ZINC000439821059 388021532 /nfs/dbraw/zinc/02/15/32/388021532.db2.gz VLJSHGIDSSFNIW-UHFFFAOYSA-N 1 2 247.382 3.555 20 0 BHADLO Cc1ccc(C)c([N@@H+](CC2(C)COC2)C(C)C)c1 ZINC000439821059 388021526 /nfs/dbraw/zinc/02/15/26/388021526.db2.gz VLJSHGIDSSFNIW-UHFFFAOYSA-N 1 2 247.382 3.555 20 0 BHADLO CC[C@@H](F)C[N@@H+](C)Cc1cc(Cl)ccc1F ZINC000440514732 388049561 /nfs/dbraw/zinc/04/95/61/388049561.db2.gz XVSCQSVTNVGFBD-LLVKDONJSA-N 1 2 247.716 3.659 20 0 BHADLO CC[C@@H](F)C[N@H+](C)Cc1cc(Cl)ccc1F ZINC000440514732 388049557 /nfs/dbraw/zinc/04/95/57/388049557.db2.gz XVSCQSVTNVGFBD-LLVKDONJSA-N 1 2 247.716 3.659 20 0 BHADLO CC[C@H](F)C[N@@H+](C)Cc1cc(Cl)ccc1F ZINC000440514733 388048374 /nfs/dbraw/zinc/04/83/74/388048374.db2.gz XVSCQSVTNVGFBD-NSHDSACASA-N 1 2 247.716 3.659 20 0 BHADLO CC[C@H](F)C[N@H+](C)Cc1cc(Cl)ccc1F ZINC000440514733 388048371 /nfs/dbraw/zinc/04/83/71/388048371.db2.gz XVSCQSVTNVGFBD-NSHDSACASA-N 1 2 247.716 3.659 20 0 BHADLO COc1cc(C)[nH+]c(CSCC(C)(C)C)c1 ZINC000440586229 388058141 /nfs/dbraw/zinc/05/81/41/388058141.db2.gz BTTOSQGYNXSGTO-UHFFFAOYSA-N 1 2 239.384 3.678 20 0 BHADLO CC(C)(C)CSCc1cn2ccccc2[nH+]1 ZINC000440588415 388057993 /nfs/dbraw/zinc/05/79/93/388057993.db2.gz LLVFSZCOSCVNSU-UHFFFAOYSA-N 1 2 234.368 3.614 20 0 BHADLO CC(C)(C)CSCc1c[nH+]c2ccccn12 ZINC000440593385 388059843 /nfs/dbraw/zinc/05/98/43/388059843.db2.gz JCVBZORTSPWIEI-UHFFFAOYSA-N 1 2 234.368 3.614 20 0 BHADLO Cc1ccc(CSCC(C)(C)C)c(C)[nH+]1 ZINC000440604619 388062619 /nfs/dbraw/zinc/06/26/19/388062619.db2.gz WKHSITQJHKHFDY-UHFFFAOYSA-N 1 2 223.385 3.978 20 0 BHADLO Cc1[nH+]c2ccccn2c1CSCC(C)(C)C ZINC000440604733 201497653 /nfs/dbraw/zinc/49/76/53/201497653.db2.gz IVXUPCVLKGKSOE-UHFFFAOYSA-N 1 2 248.395 3.922 20 0 BHADLO CC[C@@H](F)C[N@@H+](C)Cc1ccccc1Cl ZINC000440689423 388066252 /nfs/dbraw/zinc/06/62/52/388066252.db2.gz BOZQSFRSHVYUDZ-LLVKDONJSA-N 1 2 229.726 3.520 20 0 BHADLO CC[C@@H](F)C[N@H+](C)Cc1ccccc1Cl ZINC000440689423 388066249 /nfs/dbraw/zinc/06/62/49/388066249.db2.gz BOZQSFRSHVYUDZ-LLVKDONJSA-N 1 2 229.726 3.520 20 0 BHADLO CC[C@H](F)C[N@@H+](C)Cc1ccccc1Cl ZINC000440689424 388067131 /nfs/dbraw/zinc/06/71/31/388067131.db2.gz BOZQSFRSHVYUDZ-NSHDSACASA-N 1 2 229.726 3.520 20 0 BHADLO CC[C@H](F)C[N@H+](C)Cc1ccccc1Cl ZINC000440689424 388067128 /nfs/dbraw/zinc/06/71/28/388067128.db2.gz BOZQSFRSHVYUDZ-NSHDSACASA-N 1 2 229.726 3.520 20 0 BHADLO CC[C@@H](F)C[N@@H+](Cc1ccccc1F)C1CC1 ZINC000440700538 388068318 /nfs/dbraw/zinc/06/83/18/388068318.db2.gz GNHIZRCUYUJUDK-GFCCVEGCSA-N 1 2 239.309 3.538 20 0 BHADLO CC[C@@H](F)C[N@H+](Cc1ccccc1F)C1CC1 ZINC000440700538 388068315 /nfs/dbraw/zinc/06/83/15/388068315.db2.gz GNHIZRCUYUJUDK-GFCCVEGCSA-N 1 2 239.309 3.538 20 0 BHADLO CC[C@H](F)C[N@@H+](Cc1ccccc1F)C1CC1 ZINC000440700540 388069246 /nfs/dbraw/zinc/06/92/46/388069246.db2.gz GNHIZRCUYUJUDK-LBPRGKRZSA-N 1 2 239.309 3.538 20 0 BHADLO CC[C@H](F)C[N@H+](Cc1ccccc1F)C1CC1 ZINC000440700540 388069242 /nfs/dbraw/zinc/06/92/42/388069242.db2.gz GNHIZRCUYUJUDK-LBPRGKRZSA-N 1 2 239.309 3.538 20 0 BHADLO CC[C@H](F)C[N@@H+](CC)Cc1c(F)cccc1F ZINC000440705432 387674823 /nfs/dbraw/zinc/67/48/23/387674823.db2.gz OPNHWWJGOYGXPJ-JTQLQIEISA-N 1 2 245.288 3.535 20 0 BHADLO CC[C@H](F)C[N@H+](CC)Cc1c(F)cccc1F ZINC000440705432 387674818 /nfs/dbraw/zinc/67/48/18/387674818.db2.gz OPNHWWJGOYGXPJ-JTQLQIEISA-N 1 2 245.288 3.535 20 0 BHADLO CC[C@@H](F)C[N@@H+](CC)Cc1c(F)cccc1F ZINC000440705433 387673886 /nfs/dbraw/zinc/67/38/86/387673886.db2.gz OPNHWWJGOYGXPJ-SNVBAGLBSA-N 1 2 245.288 3.535 20 0 BHADLO CC[C@@H](F)C[N@H+](CC)Cc1c(F)cccc1F ZINC000440705433 387673882 /nfs/dbraw/zinc/67/38/82/387673882.db2.gz OPNHWWJGOYGXPJ-SNVBAGLBSA-N 1 2 245.288 3.535 20 0 BHADLO CC[C@@H](F)C[N@@H+](C)[C@H](C)c1c(F)cccc1F ZINC000440706522 387674746 /nfs/dbraw/zinc/67/47/46/387674746.db2.gz RXNPKAPCUAOZDD-NXEZZACHSA-N 1 2 245.288 3.706 20 0 BHADLO CC[C@@H](F)C[N@H+](C)[C@H](C)c1c(F)cccc1F ZINC000440706522 387674741 /nfs/dbraw/zinc/67/47/41/387674741.db2.gz RXNPKAPCUAOZDD-NXEZZACHSA-N 1 2 245.288 3.706 20 0 BHADLO CC[C@H](F)C[N@@H+](C)[C@@H](C)c1c(F)cccc1F ZINC000440706523 387673742 /nfs/dbraw/zinc/67/37/42/387673742.db2.gz RXNPKAPCUAOZDD-UWVGGRQHSA-N 1 2 245.288 3.706 20 0 BHADLO CC[C@H](F)C[N@H+](C)[C@@H](C)c1c(F)cccc1F ZINC000440706523 387673739 /nfs/dbraw/zinc/67/37/39/387673739.db2.gz RXNPKAPCUAOZDD-UWVGGRQHSA-N 1 2 245.288 3.706 20 0 BHADLO CC[C@@H](F)C[N@@H+](C)[C@@H](C)c1c(F)cccc1F ZINC000440706524 387675845 /nfs/dbraw/zinc/67/58/45/387675845.db2.gz RXNPKAPCUAOZDD-VHSXEESVSA-N 1 2 245.288 3.706 20 0 BHADLO CC[C@@H](F)C[N@H+](C)[C@@H](C)c1c(F)cccc1F ZINC000440706524 387675844 /nfs/dbraw/zinc/67/58/44/387675844.db2.gz RXNPKAPCUAOZDD-VHSXEESVSA-N 1 2 245.288 3.706 20 0 BHADLO CC[C@H](F)C[N@@H+](C)[C@H](C)c1c(F)cccc1F ZINC000440706525 387675020 /nfs/dbraw/zinc/67/50/20/387675020.db2.gz RXNPKAPCUAOZDD-ZJUUUORDSA-N 1 2 245.288 3.706 20 0 BHADLO CC[C@H](F)C[N@H+](C)[C@H](C)c1c(F)cccc1F ZINC000440706525 387675017 /nfs/dbraw/zinc/67/50/17/387675017.db2.gz RXNPKAPCUAOZDD-ZJUUUORDSA-N 1 2 245.288 3.706 20 0 BHADLO CC[C@@H](F)C[N@@H+](C)Cc1c(F)cccc1Cl ZINC000440708818 387678040 /nfs/dbraw/zinc/67/80/40/387678040.db2.gz GOWPQKRWPBRRPP-SECBINFHSA-N 1 2 247.716 3.659 20 0 BHADLO CC[C@@H](F)C[N@H+](C)Cc1c(F)cccc1Cl ZINC000440708818 387678034 /nfs/dbraw/zinc/67/80/34/387678034.db2.gz GOWPQKRWPBRRPP-SECBINFHSA-N 1 2 247.716 3.659 20 0 BHADLO CC[C@H](F)C[N@@H+](C)Cc1c(F)cccc1Cl ZINC000440708819 387678608 /nfs/dbraw/zinc/67/86/08/387678608.db2.gz GOWPQKRWPBRRPP-VIFPVBQESA-N 1 2 247.716 3.659 20 0 BHADLO CC[C@H](F)C[N@H+](C)Cc1c(F)cccc1Cl ZINC000440708819 387678604 /nfs/dbraw/zinc/67/86/04/387678604.db2.gz GOWPQKRWPBRRPP-VIFPVBQESA-N 1 2 247.716 3.659 20 0 BHADLO CC[C@@H](F)C[N@@H+](C)[C@H](C)c1cc(F)ccc1F ZINC000440714421 387680370 /nfs/dbraw/zinc/68/03/70/387680370.db2.gz LFLMKLKZBDNSQE-NXEZZACHSA-N 1 2 245.288 3.706 20 0 BHADLO CC[C@@H](F)C[N@H+](C)[C@H](C)c1cc(F)ccc1F ZINC000440714421 387680366 /nfs/dbraw/zinc/68/03/66/387680366.db2.gz LFLMKLKZBDNSQE-NXEZZACHSA-N 1 2 245.288 3.706 20 0 BHADLO CC[C@H](F)C[N@@H+](C)[C@@H](C)c1cc(F)ccc1F ZINC000440714424 387681424 /nfs/dbraw/zinc/68/14/24/387681424.db2.gz LFLMKLKZBDNSQE-UWVGGRQHSA-N 1 2 245.288 3.706 20 0 BHADLO CC[C@H](F)C[N@H+](C)[C@@H](C)c1cc(F)ccc1F ZINC000440714424 387681421 /nfs/dbraw/zinc/68/14/21/387681421.db2.gz LFLMKLKZBDNSQE-UWVGGRQHSA-N 1 2 245.288 3.706 20 0 BHADLO CC[C@@H](F)C[N@@H+](C)[C@@H](C)c1cc(F)ccc1F ZINC000440714426 387680704 /nfs/dbraw/zinc/68/07/04/387680704.db2.gz LFLMKLKZBDNSQE-VHSXEESVSA-N 1 2 245.288 3.706 20 0 BHADLO CC[C@@H](F)C[N@H+](C)[C@@H](C)c1cc(F)ccc1F ZINC000440714426 387680701 /nfs/dbraw/zinc/68/07/01/387680701.db2.gz LFLMKLKZBDNSQE-VHSXEESVSA-N 1 2 245.288 3.706 20 0 BHADLO CC[C@H](F)C[N@@H+](C)[C@H](C)c1cc(F)ccc1F ZINC000440714429 387680165 /nfs/dbraw/zinc/68/01/65/387680165.db2.gz LFLMKLKZBDNSQE-ZJUUUORDSA-N 1 2 245.288 3.706 20 0 BHADLO CC[C@H](F)C[N@H+](C)[C@H](C)c1cc(F)ccc1F ZINC000440714429 387680164 /nfs/dbraw/zinc/68/01/64/387680164.db2.gz LFLMKLKZBDNSQE-ZJUUUORDSA-N 1 2 245.288 3.706 20 0 BHADLO CC[C@H](F)C[N@@H+](C)Cc1ccc(F)cc1Cl ZINC000440717500 387682019 /nfs/dbraw/zinc/68/20/19/387682019.db2.gz XOYJLHWYHYSCDS-JTQLQIEISA-N 1 2 247.716 3.659 20 0 BHADLO CC[C@H](F)C[N@H+](C)Cc1ccc(F)cc1Cl ZINC000440717500 387682016 /nfs/dbraw/zinc/68/20/16/387682016.db2.gz XOYJLHWYHYSCDS-JTQLQIEISA-N 1 2 247.716 3.659 20 0 BHADLO CC[C@@H](F)C[N@@H+](C)Cc1ccc(F)cc1Cl ZINC000440717504 387680834 /nfs/dbraw/zinc/68/08/34/387680834.db2.gz XOYJLHWYHYSCDS-SNVBAGLBSA-N 1 2 247.716 3.659 20 0 BHADLO CC[C@@H](F)C[N@H+](C)Cc1ccc(F)cc1Cl ZINC000440717504 387680826 /nfs/dbraw/zinc/68/08/26/387680826.db2.gz XOYJLHWYHYSCDS-SNVBAGLBSA-N 1 2 247.716 3.659 20 0 BHADLO Cc1ccc(C)c([N@@H+](C)CCC2CC2)c1 ZINC000441219603 387737621 /nfs/dbraw/zinc/73/76/21/387737621.db2.gz YFZSPJZZMHWBET-UHFFFAOYSA-N 1 2 203.329 3.540 20 0 BHADLO Cc1ccc(C)c([N@H+](C)CCC2CC2)c1 ZINC000441219603 387737615 /nfs/dbraw/zinc/73/76/15/387737615.db2.gz YFZSPJZZMHWBET-UHFFFAOYSA-N 1 2 203.329 3.540 20 0 BHADLO Cc1ccc(C)c([N@@H+](C)CC2CCC2)c1 ZINC000441219978 387737007 /nfs/dbraw/zinc/73/70/07/387737007.db2.gz RWSGHQIGFNVOCE-UHFFFAOYSA-N 1 2 203.329 3.540 20 0 BHADLO Cc1ccc(C)c([N@H+](C)CC2CCC2)c1 ZINC000441219978 387737004 /nfs/dbraw/zinc/73/70/04/387737004.db2.gz RWSGHQIGFNVOCE-UHFFFAOYSA-N 1 2 203.329 3.540 20 0 BHADLO Cc1cc(C)cc([N@@H+](C)CCC2CC2)c1 ZINC000441222696 387738761 /nfs/dbraw/zinc/73/87/61/387738761.db2.gz BQWKXDSSUFZKGM-UHFFFAOYSA-N 1 2 203.329 3.540 20 0 BHADLO Cc1cc(C)cc([N@H+](C)CCC2CC2)c1 ZINC000441222696 387738752 /nfs/dbraw/zinc/73/87/52/387738752.db2.gz BQWKXDSSUFZKGM-UHFFFAOYSA-N 1 2 203.329 3.540 20 0 BHADLO Cc1cc(C)cc([N@@H+](C)CC2CCC2)c1 ZINC000441232930 387739311 /nfs/dbraw/zinc/73/93/11/387739311.db2.gz SWGUYGLYLAAAMR-UHFFFAOYSA-N 1 2 203.329 3.540 20 0 BHADLO Cc1cc(C)cc([N@H+](C)CC2CCC2)c1 ZINC000441232930 387739306 /nfs/dbraw/zinc/73/93/06/387739306.db2.gz SWGUYGLYLAAAMR-UHFFFAOYSA-N 1 2 203.329 3.540 20 0 BHADLO Cc1cccc([N@@H+](C)CCC2CC2)c1C ZINC000441234576 387738585 /nfs/dbraw/zinc/73/85/85/387738585.db2.gz VVBFCCKWVOTJHY-UHFFFAOYSA-N 1 2 203.329 3.540 20 0 BHADLO Cc1cccc([N@H+](C)CCC2CC2)c1C ZINC000441234576 387738579 /nfs/dbraw/zinc/73/85/79/387738579.db2.gz VVBFCCKWVOTJHY-UHFFFAOYSA-N 1 2 203.329 3.540 20 0 BHADLO Cc1cccc([N@@H+](C)CC2CCC2)c1C ZINC000441236020 387737495 /nfs/dbraw/zinc/73/74/95/387737495.db2.gz YPDJJCSPDRVINJ-UHFFFAOYSA-N 1 2 203.329 3.540 20 0 BHADLO Cc1cccc([N@H+](C)CC2CCC2)c1C ZINC000441236020 387737491 /nfs/dbraw/zinc/73/74/91/387737491.db2.gz YPDJJCSPDRVINJ-UHFFFAOYSA-N 1 2 203.329 3.540 20 0 BHADLO CCC(C)(C)CC[N@@H+](CC(F)F)C1CC1 ZINC000441313217 387745039 /nfs/dbraw/zinc/74/50/39/387745039.db2.gz RUELQNBHEZRRQB-UHFFFAOYSA-N 1 2 219.319 3.542 20 0 BHADLO CCC(C)(C)CC[N@H+](CC(F)F)C1CC1 ZINC000441313217 387745033 /nfs/dbraw/zinc/74/50/33/387745033.db2.gz RUELQNBHEZRRQB-UHFFFAOYSA-N 1 2 219.319 3.542 20 0 BHADLO CC[C@@H](F)COc1cc(C)[nH+]c2ccccc21 ZINC000441818115 206081090 /nfs/dbraw/zinc/08/10/90/206081090.db2.gz HJCMZPDKIFODNA-LLVKDONJSA-N 1 2 233.286 3.670 20 0 BHADLO CC[C@H](F)COc1cc(C)[nH+]c2ccccc21 ZINC000441818116 387777655 /nfs/dbraw/zinc/77/76/55/387777655.db2.gz HJCMZPDKIFODNA-NSHDSACASA-N 1 2 233.286 3.670 20 0 BHADLO CC[C@@H](F)CSCc1ccc(C)[nH+]c1C ZINC000442537848 387802016 /nfs/dbraw/zinc/80/20/16/387802016.db2.gz HIOJPNCBCSZTBN-GFCCVEGCSA-N 1 2 227.348 3.680 20 0 BHADLO CC[C@H](F)CSCc1ccc(C)[nH+]c1C ZINC000442537850 387801804 /nfs/dbraw/zinc/80/18/04/387801804.db2.gz HIOJPNCBCSZTBN-LBPRGKRZSA-N 1 2 227.348 3.680 20 0 BHADLO Cc1c2ccccc2[nH+]c2c1C[C@@H](C(F)F)CC2 ZINC000443036733 193011559 /nfs/dbraw/zinc/01/15/59/193011559.db2.gz YERAGOFGKQFWDM-JTQLQIEISA-N 1 2 247.288 3.913 20 0 BHADLO Cc1c2ccccc2[nH+]c2c1C[C@H](C(F)F)CC2 ZINC000443036737 193011327 /nfs/dbraw/zinc/01/13/27/193011327.db2.gz YERAGOFGKQFWDM-SNVBAGLBSA-N 1 2 247.288 3.913 20 0 BHADLO CCCC[C@H](C)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000443419902 193021500 /nfs/dbraw/zinc/02/15/00/193021500.db2.gz RXTVQOIDMSODAF-JTQLQIEISA-N 1 2 248.370 3.772 20 0 BHADLO CCCC[C@@H](C)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000443419905 193021521 /nfs/dbraw/zinc/02/15/21/193021521.db2.gz RXTVQOIDMSODAF-SNVBAGLBSA-N 1 2 248.370 3.772 20 0 BHADLO Cc1cc(Nc2ccc3ccoc3c2)nc(C)[nH+]1 ZINC000443502128 537828150 /nfs/dbraw/zinc/82/81/50/537828150.db2.gz VGOCNTSYZLYDIF-UHFFFAOYSA-N 1 2 239.278 3.583 20 0 BHADLO CC(C)c1nc(N2CCCCC(C)(C)C2)cc[nH+]1 ZINC000445666793 206085099 /nfs/dbraw/zinc/08/50/99/206085099.db2.gz CCCMLCLGVRVDKC-UHFFFAOYSA-N 1 2 247.386 3.617 20 0 BHADLO CCc1ccccc1C[N@@H+](CC(F)F)C(C)C ZINC000445814217 387970617 /nfs/dbraw/zinc/97/06/17/387970617.db2.gz SPNJZCVLTPRHTN-UHFFFAOYSA-N 1 2 241.325 3.725 20 0 BHADLO CCc1ccccc1C[N@H+](CC(F)F)C(C)C ZINC000445814217 387970616 /nfs/dbraw/zinc/97/06/16/387970616.db2.gz SPNJZCVLTPRHTN-UHFFFAOYSA-N 1 2 241.325 3.725 20 0 BHADLO CC(C)=CCSCc1cn2cc(C)ccc2[nH+]1 ZINC000446114602 387998828 /nfs/dbraw/zinc/99/88/28/387998828.db2.gz UGLQZGBFGMICSQ-UHFFFAOYSA-N 1 2 246.379 3.842 20 0 BHADLO CC(C)=CCSCc1c(C)[nH+]c2ccccn21 ZINC000446128304 388001846 /nfs/dbraw/zinc/00/18/46/388001846.db2.gz BYPMYNAKEALGDW-UHFFFAOYSA-N 1 2 246.379 3.842 20 0 BHADLO CC(C)=CCSCc1c[nH+]c2ccccn12 ZINC000446133373 388002238 /nfs/dbraw/zinc/00/22/38/388002238.db2.gz XNDGYNPASKYSMM-UHFFFAOYSA-N 1 2 232.352 3.534 20 0 BHADLO COc1cc2[nH+]c(-c3ccccc3)[nH]c2cc1C ZINC000446157021 388005178 /nfs/dbraw/zinc/00/51/78/388005178.db2.gz PBPXXWVTXGUDLX-UHFFFAOYSA-N 1 2 238.290 3.547 20 0 BHADLO Cc1ccc(NC(=O)C(C)(C)CC(C)C)c(C)[nH+]1 ZINC000446429525 388020592 /nfs/dbraw/zinc/02/05/92/388020592.db2.gz KSYMQORZTSKPAO-UHFFFAOYSA-N 1 2 248.370 3.709 20 0 BHADLO C[C@H](CC[N@H+]1CCC(F)(F)C1)c1ccccc1 ZINC000446807698 388039596 /nfs/dbraw/zinc/03/95/96/388039596.db2.gz DELAETIGNBPRFI-GFCCVEGCSA-N 1 2 239.309 3.521 20 0 BHADLO C[C@H](CC[N@@H+]1CCC(F)(F)C1)c1ccccc1 ZINC000446807698 388039595 /nfs/dbraw/zinc/03/95/95/388039595.db2.gz DELAETIGNBPRFI-GFCCVEGCSA-N 1 2 239.309 3.521 20 0 BHADLO C[C@@H](CC[N@H+]1CCC(F)(F)C1)c1ccccc1 ZINC000446807699 388038685 /nfs/dbraw/zinc/03/86/85/388038685.db2.gz DELAETIGNBPRFI-LBPRGKRZSA-N 1 2 239.309 3.521 20 0 BHADLO C[C@@H](CC[N@@H+]1CCC(F)(F)C1)c1ccccc1 ZINC000446807699 388038681 /nfs/dbraw/zinc/03/86/81/388038681.db2.gz DELAETIGNBPRFI-LBPRGKRZSA-N 1 2 239.309 3.521 20 0 BHADLO Cc1ccc(C[N@H+]2CCC=C(F)C2)cc1Cl ZINC000446821387 388041027 /nfs/dbraw/zinc/04/10/27/388041027.db2.gz OGMQWLNMGBHNIU-UHFFFAOYSA-N 1 2 239.721 3.708 20 0 BHADLO Cc1ccc(C[N@@H+]2CCC=C(F)C2)cc1Cl ZINC000446821387 388041023 /nfs/dbraw/zinc/04/10/23/388041023.db2.gz OGMQWLNMGBHNIU-UHFFFAOYSA-N 1 2 239.721 3.708 20 0 BHADLO CCC1(CC)CCN(c2cc[nH+]c(C(C)C)n2)C1 ZINC000446844919 388042404 /nfs/dbraw/zinc/04/24/04/388042404.db2.gz JXFCOXQAZLFMAN-UHFFFAOYSA-N 1 2 247.386 3.617 20 0 BHADLO Cc1ccc(C[N@@H+](C)Cc2ccco2)c(Cl)c1 ZINC000447123842 388055098 /nfs/dbraw/zinc/05/50/98/388055098.db2.gz VNHJKLUOPSRBMU-UHFFFAOYSA-N 1 2 249.741 3.873 20 0 BHADLO Cc1ccc(C[N@H+](C)Cc2ccco2)c(Cl)c1 ZINC000447123842 388055093 /nfs/dbraw/zinc/05/50/93/388055093.db2.gz VNHJKLUOPSRBMU-UHFFFAOYSA-N 1 2 249.741 3.873 20 0 BHADLO Cc1ccc(C[N@@H+](C)Cc2ccoc2)c(Cl)c1 ZINC000447161113 388056137 /nfs/dbraw/zinc/05/61/37/388056137.db2.gz VNRHLJVSIGBVFH-UHFFFAOYSA-N 1 2 249.741 3.873 20 0 BHADLO Cc1ccc(C[N@H+](C)Cc2ccoc2)c(Cl)c1 ZINC000447161113 388056133 /nfs/dbraw/zinc/05/61/33/388056133.db2.gz VNRHLJVSIGBVFH-UHFFFAOYSA-N 1 2 249.741 3.873 20 0 BHADLO CC(C)[N@H+]1CCn2c(cc3ccc(Cl)cc32)C1 ZINC000447385234 388066837 /nfs/dbraw/zinc/06/68/37/388066837.db2.gz OACQLRCBMAYGBR-UHFFFAOYSA-N 1 2 248.757 3.519 20 0 BHADLO CC(C)[N@@H+]1CCn2c(cc3ccc(Cl)cc32)C1 ZINC000447385234 388066832 /nfs/dbraw/zinc/06/68/32/388066832.db2.gz OACQLRCBMAYGBR-UHFFFAOYSA-N 1 2 248.757 3.519 20 0 BHADLO CCC[N@H+]1CCn2c(cc3ccc(Cl)cc32)C1 ZINC000447386639 388067816 /nfs/dbraw/zinc/06/78/16/388067816.db2.gz QUANQFUHNDCVAS-UHFFFAOYSA-N 1 2 248.757 3.520 20 0 BHADLO CCC[N@@H+]1CCn2c(cc3ccc(Cl)cc32)C1 ZINC000447386639 388067812 /nfs/dbraw/zinc/06/78/12/388067812.db2.gz QUANQFUHNDCVAS-UHFFFAOYSA-N 1 2 248.757 3.520 20 0 BHADLO Cc1cc(N[C@@H](C)CC2CCCCC2)nc[nH+]1 ZINC000447670253 201731386 /nfs/dbraw/zinc/73/13/86/201731386.db2.gz LZXNPGFLXDZGPX-LBPRGKRZSA-N 1 2 233.359 3.556 20 0 BHADLO CCC(C)(C)c1ccc(NCc2[nH]cc[nH+]2)cc1 ZINC000447967415 388105514 /nfs/dbraw/zinc/10/55/14/388105514.db2.gz MTQIKNPZOYGTKE-UHFFFAOYSA-N 1 2 243.354 3.709 20 0 BHADLO Clc1cc(C[NH+]2CCCC2)c(Cl)s1 ZINC000449002972 388126725 /nfs/dbraw/zinc/12/67/25/388126725.db2.gz NZWIZJXPEHXWNP-UHFFFAOYSA-N 1 2 236.167 3.651 20 0 BHADLO CC[N@@H+](C)Cc1cc(Cl)sc1Cl ZINC000449008936 201785479 /nfs/dbraw/zinc/78/54/79/201785479.db2.gz LYMBMMHXKSWOKD-UHFFFAOYSA-N 1 2 224.156 3.507 20 0 BHADLO CC[N@H+](C)Cc1cc(Cl)sc1Cl ZINC000449008936 201785478 /nfs/dbraw/zinc/78/54/78/201785478.db2.gz LYMBMMHXKSWOKD-UHFFFAOYSA-N 1 2 224.156 3.507 20 0 BHADLO C[N@@H+](Cc1cc(Cl)sc1Cl)C1CC1 ZINC000449011510 388129089 /nfs/dbraw/zinc/12/90/89/388129089.db2.gz QPVDBBWKUYOYTI-UHFFFAOYSA-N 1 2 236.167 3.649 20 0 BHADLO C[N@H+](Cc1cc(Cl)sc1Cl)C1CC1 ZINC000449011510 388129088 /nfs/dbraw/zinc/12/90/88/388129088.db2.gz QPVDBBWKUYOYTI-UHFFFAOYSA-N 1 2 236.167 3.649 20 0 BHADLO CCC[N@H+](Cc1csc(C)c1)CC(F)F ZINC000449018682 388131031 /nfs/dbraw/zinc/13/10/31/388131031.db2.gz OURQZNAXZTVTTL-UHFFFAOYSA-N 1 2 233.327 3.534 20 0 BHADLO CCC[N@@H+](Cc1csc(C)c1)CC(F)F ZINC000449018682 388131030 /nfs/dbraw/zinc/13/10/30/388131030.db2.gz OURQZNAXZTVTTL-UHFFFAOYSA-N 1 2 233.327 3.534 20 0 BHADLO CC[N@H+](Cc1cccc2ccoc21)CC(F)F ZINC000449239821 388160704 /nfs/dbraw/zinc/16/07/04/388160704.db2.gz WXJMJZBKURBOHN-UHFFFAOYSA-N 1 2 239.265 3.520 20 0 BHADLO CC[N@@H+](Cc1cccc2ccoc21)CC(F)F ZINC000449239821 388160703 /nfs/dbraw/zinc/16/07/03/388160703.db2.gz WXJMJZBKURBOHN-UHFFFAOYSA-N 1 2 239.265 3.520 20 0 BHADLO CC[C@H]([NH2+][C@H](C)CC(C)(C)C)C(F)(F)F ZINC000449270991 388165594 /nfs/dbraw/zinc/16/55/94/388165594.db2.gz DXUOZJRTJLIUOS-BDAKNGLRSA-N 1 2 225.298 3.742 20 0 BHADLO CC[C@H]([NH2+][C@@H](C)CC(C)(C)C)C(F)(F)F ZINC000449270992 388166015 /nfs/dbraw/zinc/16/60/15/388166015.db2.gz DXUOZJRTJLIUOS-IUCAKERBSA-N 1 2 225.298 3.742 20 0 BHADLO CC1C[NH+](Cc2cc(Cl)sc2Cl)C1 ZINC000449295102 388168938 /nfs/dbraw/zinc/16/89/38/388168938.db2.gz PQTNMHCXMQQQQG-UHFFFAOYSA-N 1 2 236.167 3.507 20 0 BHADLO Cc1cc(C[N@H+]2CCCC[C@@H]2C(F)F)cs1 ZINC000449305282 388170962 /nfs/dbraw/zinc/17/09/62/388170962.db2.gz FUSAZHLGSBQONX-LLVKDONJSA-N 1 2 245.338 3.676 20 0 BHADLO Cc1cc(C[N@@H+]2CCCC[C@@H]2C(F)F)cs1 ZINC000449305282 388170959 /nfs/dbraw/zinc/17/09/59/388170959.db2.gz FUSAZHLGSBQONX-LLVKDONJSA-N 1 2 245.338 3.676 20 0 BHADLO Cc1cc(C[N@H+]2CCCC[C@H]2C(F)F)cs1 ZINC000449305383 388170489 /nfs/dbraw/zinc/17/04/89/388170489.db2.gz FUSAZHLGSBQONX-NSHDSACASA-N 1 2 245.338 3.676 20 0 BHADLO Cc1cc(C[N@@H+]2CCCC[C@H]2C(F)F)cs1 ZINC000449305383 388170487 /nfs/dbraw/zinc/17/04/87/388170487.db2.gz FUSAZHLGSBQONX-NSHDSACASA-N 1 2 245.338 3.676 20 0 BHADLO C[C@H](CC(C)(C)C)[NH2+][C@H](C1CC1)C(F)(F)F ZINC000449327028 388173105 /nfs/dbraw/zinc/17/31/05/388173105.db2.gz BDPBTIFFMSXRBN-PSASIEDQSA-N 1 2 237.309 3.742 20 0 BHADLO C[C@H](CC(C)(C)C)[NH2+][C@@H](C1CC1)C(F)(F)F ZINC000449327029 388173056 /nfs/dbraw/zinc/17/30/56/388173056.db2.gz BDPBTIFFMSXRBN-SCZZXKLOSA-N 1 2 237.309 3.742 20 0 BHADLO C[C@@H](CC(C)(C)C)[NH2+][C@H](C1CC1)C(F)(F)F ZINC000449327030 201870683 /nfs/dbraw/zinc/87/06/83/201870683.db2.gz BDPBTIFFMSXRBN-WCBMZHEXSA-N 1 2 237.309 3.742 20 0 BHADLO C[C@@H](CC(C)(C)C)[NH2+][C@@H](C1CC1)C(F)(F)F ZINC000449327031 388173343 /nfs/dbraw/zinc/17/33/43/388173343.db2.gz BDPBTIFFMSXRBN-WPRPVWTQSA-N 1 2 237.309 3.742 20 0 BHADLO C[C@H](CF)[NH2+]Cc1cc(Cl)sc1Cl ZINC000449335382 388175453 /nfs/dbraw/zinc/17/54/53/388175453.db2.gz ZMJAYXPIUWGCOC-RXMQYKEDSA-N 1 2 242.146 3.503 20 0 BHADLO C[C@@H](CF)[NH2+]Cc1cc(Cl)sc1Cl ZINC000449335383 388175107 /nfs/dbraw/zinc/17/51/07/388175107.db2.gz ZMJAYXPIUWGCOC-YFKPBYRVSA-N 1 2 242.146 3.503 20 0 BHADLO C[C@@]1(F)CCC[N@@H+](Cc2ccsc2Cl)C1 ZINC000449351879 388179611 /nfs/dbraw/zinc/17/96/11/388179611.db2.gz RKYPLTXSQYZDBT-LLVKDONJSA-N 1 2 247.766 3.726 20 0 BHADLO C[C@@]1(F)CCC[N@H+](Cc2ccsc2Cl)C1 ZINC000449351879 388179608 /nfs/dbraw/zinc/17/96/08/388179608.db2.gz RKYPLTXSQYZDBT-LLVKDONJSA-N 1 2 247.766 3.726 20 0 BHADLO C[C@]1(F)CCC[N@@H+](Cc2ccsc2Cl)C1 ZINC000449351880 388180283 /nfs/dbraw/zinc/18/02/83/388180283.db2.gz RKYPLTXSQYZDBT-NSHDSACASA-N 1 2 247.766 3.726 20 0 BHADLO C[C@]1(F)CCC[N@H+](Cc2ccsc2Cl)C1 ZINC000449351880 388180279 /nfs/dbraw/zinc/18/02/79/388180279.db2.gz RKYPLTXSQYZDBT-NSHDSACASA-N 1 2 247.766 3.726 20 0 BHADLO C[C@@]1(F)CCC[N@@H+](Cc2sccc2Cl)C1 ZINC000449352976 383936288 /nfs/dbraw/zinc/93/62/88/383936288.db2.gz XMWOADIJZCSMRK-LLVKDONJSA-N 1 2 247.766 3.726 20 0 BHADLO C[C@@]1(F)CCC[N@H+](Cc2sccc2Cl)C1 ZINC000449352976 383936285 /nfs/dbraw/zinc/93/62/85/383936285.db2.gz XMWOADIJZCSMRK-LLVKDONJSA-N 1 2 247.766 3.726 20 0 BHADLO C[C@]1(F)CCC[N@@H+](Cc2sccc2Cl)C1 ZINC000449352977 383936230 /nfs/dbraw/zinc/93/62/30/383936230.db2.gz XMWOADIJZCSMRK-NSHDSACASA-N 1 2 247.766 3.726 20 0 BHADLO C[C@]1(F)CCC[N@H+](Cc2sccc2Cl)C1 ZINC000449352977 383936226 /nfs/dbraw/zinc/93/62/26/383936226.db2.gz XMWOADIJZCSMRK-NSHDSACASA-N 1 2 247.766 3.726 20 0 BHADLO C[C@@]1(F)CCC[N@@H+](Cc2cc(Cl)cs2)C1 ZINC000449353135 388179880 /nfs/dbraw/zinc/17/98/80/388179880.db2.gz YJOTYBMPZFSJTH-LLVKDONJSA-N 1 2 247.766 3.726 20 0 BHADLO C[C@@]1(F)CCC[N@H+](Cc2cc(Cl)cs2)C1 ZINC000449353135 388179879 /nfs/dbraw/zinc/17/98/79/388179879.db2.gz YJOTYBMPZFSJTH-LLVKDONJSA-N 1 2 247.766 3.726 20 0 BHADLO C[C@]1(F)CCC[N@@H+](Cc2cc(Cl)cs2)C1 ZINC000449353136 388180168 /nfs/dbraw/zinc/18/01/68/388180168.db2.gz YJOTYBMPZFSJTH-NSHDSACASA-N 1 2 247.766 3.726 20 0 BHADLO C[C@]1(F)CCC[N@H+](Cc2cc(Cl)cs2)C1 ZINC000449353136 388180166 /nfs/dbraw/zinc/18/01/66/388180166.db2.gz YJOTYBMPZFSJTH-NSHDSACASA-N 1 2 247.766 3.726 20 0 BHADLO C[C@@]1(F)CCC[N@@H+](Cc2ccc(Cl)s2)C1 ZINC000449353235 388179889 /nfs/dbraw/zinc/17/98/89/388179889.db2.gz ZEKIQOZNNOTESJ-LLVKDONJSA-N 1 2 247.766 3.726 20 0 BHADLO C[C@@]1(F)CCC[N@H+](Cc2ccc(Cl)s2)C1 ZINC000449353235 388179888 /nfs/dbraw/zinc/17/98/88/388179888.db2.gz ZEKIQOZNNOTESJ-LLVKDONJSA-N 1 2 247.766 3.726 20 0 BHADLO C[C@]1(F)CCC[N@@H+](Cc2ccc(Cl)s2)C1 ZINC000449353236 388180208 /nfs/dbraw/zinc/18/02/08/388180208.db2.gz ZEKIQOZNNOTESJ-NSHDSACASA-N 1 2 247.766 3.726 20 0 BHADLO C[C@]1(F)CCC[N@H+](Cc2ccc(Cl)s2)C1 ZINC000449353236 388180205 /nfs/dbraw/zinc/18/02/05/388180205.db2.gz ZEKIQOZNNOTESJ-NSHDSACASA-N 1 2 247.766 3.726 20 0 BHADLO CC[C@@H]([NH2+]Cc1ccc(Cl)s1)C(F)F ZINC000449357359 383969350 /nfs/dbraw/zinc/96/93/50/383969350.db2.gz CMYRBCORKKOCPQ-SSDOTTSWSA-N 1 2 239.718 3.535 20 0 BHADLO CC[C@H]([NH2+]Cc1ccc(Cl)s1)C(F)F ZINC000449357360 383971505 /nfs/dbraw/zinc/97/15/05/383971505.db2.gz CMYRBCORKKOCPQ-ZETCQYMHSA-N 1 2 239.718 3.535 20 0 BHADLO CC[C@H]([NH2+]C/C(C)=C\c1ccccc1)C(F)F ZINC000449359357 200668272 /nfs/dbraw/zinc/66/82/72/200668272.db2.gz HORXTPBGADKIBF-FUWURINLSA-N 1 2 239.309 3.723 20 0 BHADLO CC[C@@H]([NH2+]C/C(C)=C\c1ccccc1)C(F)F ZINC000449359361 383974598 /nfs/dbraw/zinc/97/45/98/383974598.db2.gz HORXTPBGADKIBF-PRWOLLLXSA-N 1 2 239.309 3.723 20 0 BHADLO CC[C@H]([NH2+]C/C(C)=C/c1ccccc1)C(F)F ZINC000449359363 383974355 /nfs/dbraw/zinc/97/43/55/383974355.db2.gz HORXTPBGADKIBF-STRFDMGBSA-N 1 2 239.309 3.723 20 0 BHADLO CC[C@@H]([NH2+]C/C(C)=C/c1ccccc1)C(F)F ZINC000449359364 383972818 /nfs/dbraw/zinc/97/28/18/383972818.db2.gz HORXTPBGADKIBF-YGNAEDSMSA-N 1 2 239.309 3.723 20 0 BHADLO CC[C@@H]([NH2+][C@@H](CC)C(F)F)c1ccccc1F ZINC000449359883 388181661 /nfs/dbraw/zinc/18/16/61/388181661.db2.gz IJZVJQWJNWBEPR-NEPJUHHUSA-N 1 2 245.288 3.910 20 0 BHADLO CC[C@@H]([NH2+][C@@H](CC)c1ccccc1F)C(F)F ZINC000449359884 388181200 /nfs/dbraw/zinc/18/12/00/388181200.db2.gz IJZVJQWJNWBEPR-NWDGAFQWSA-N 1 2 245.288 3.910 20 0 BHADLO CC[C@H]([NH2+][C@@H](CC)C(F)F)c1ccccc1F ZINC000449359885 388181366 /nfs/dbraw/zinc/18/13/66/388181366.db2.gz IJZVJQWJNWBEPR-RYUDHWBXSA-N 1 2 245.288 3.910 20 0 BHADLO CC[C@@H]([NH2+][C@H](CC)C(F)F)c1ccccc1F ZINC000449359886 388181573 /nfs/dbraw/zinc/18/15/73/388181573.db2.gz IJZVJQWJNWBEPR-VXGBXAGGSA-N 1 2 245.288 3.910 20 0 BHADLO CC[C@@H]([NH2+]Cc1coc2ccccc12)C(F)F ZINC000449362600 383990143 /nfs/dbraw/zinc/99/01/43/383990143.db2.gz NMFFSCUXFMDJKR-LLVKDONJSA-N 1 2 239.265 3.566 20 0 BHADLO CC[C@H]([NH2+]Cc1coc2ccccc12)C(F)F ZINC000449362601 383990999 /nfs/dbraw/zinc/99/09/99/383990999.db2.gz NMFFSCUXFMDJKR-NSHDSACASA-N 1 2 239.265 3.566 20 0 BHADLO CC[C@@H]([NH2+]Cc1ccc(SC)cc1)C(F)F ZINC000449362620 388181964 /nfs/dbraw/zinc/18/19/64/388181964.db2.gz NOOCHYHXJVOISI-LLVKDONJSA-N 1 2 245.338 3.542 20 0 BHADLO CC[C@H]([NH2+]Cc1ccc(SC)cc1)C(F)F ZINC000449362621 388182740 /nfs/dbraw/zinc/18/27/40/388182740.db2.gz NOOCHYHXJVOISI-NSHDSACASA-N 1 2 245.338 3.542 20 0 BHADLO CC[C@@H]([NH2+]Cc1sccc1Cl)C(F)F ZINC000449363063 201884821 /nfs/dbraw/zinc/88/48/21/201884821.db2.gz OQODHFXDZSRRHX-SSDOTTSWSA-N 1 2 239.718 3.535 20 0 BHADLO CC[C@H]([NH2+]Cc1sccc1Cl)C(F)F ZINC000449363064 388181995 /nfs/dbraw/zinc/18/19/95/388181995.db2.gz OQODHFXDZSRRHX-ZETCQYMHSA-N 1 2 239.718 3.535 20 0 BHADLO CC[C@@H]([NH2+]Cc1cc(Cl)cs1)C(F)F ZINC000449363700 388182130 /nfs/dbraw/zinc/18/21/30/388182130.db2.gz QHUDBYYAZKVKFS-MRVPVSSYSA-N 1 2 239.718 3.535 20 0 BHADLO CC[C@H]([NH2+]Cc1cc(Cl)cs1)C(F)F ZINC000449363701 388182613 /nfs/dbraw/zinc/18/26/13/388182613.db2.gz QHUDBYYAZKVKFS-QMMMGPOBSA-N 1 2 239.718 3.535 20 0 BHADLO CC[C@@H]([NH2+]Cc1ccc2occc2c1)C(F)F ZINC000449364554 388183052 /nfs/dbraw/zinc/18/30/52/388183052.db2.gz SFSQTUHXCJOBAN-LLVKDONJSA-N 1 2 239.265 3.566 20 0 BHADLO CC[C@H]([NH2+]Cc1ccc2occc2c1)C(F)F ZINC000449364555 388183228 /nfs/dbraw/zinc/18/32/28/388183228.db2.gz SFSQTUHXCJOBAN-NSHDSACASA-N 1 2 239.265 3.566 20 0 BHADLO CC[C@@H]([NH2+]Cc1cc2ccccc2o1)C(F)F ZINC000449364612 388183410 /nfs/dbraw/zinc/18/34/10/388183410.db2.gz SRGRGRPGLNGYEX-LLVKDONJSA-N 1 2 239.265 3.566 20 0 BHADLO CC[C@H]([NH2+]Cc1cc2ccccc2o1)C(F)F ZINC000449364613 388183618 /nfs/dbraw/zinc/18/36/18/388183618.db2.gz SRGRGRPGLNGYEX-NSHDSACASA-N 1 2 239.265 3.566 20 0 BHADLO CC[C@@H]([NH2+]Cc1cccc2ccoc21)C(F)F ZINC000449364955 383997395 /nfs/dbraw/zinc/99/73/95/383997395.db2.gz UNHVQWHIBUSNLG-LLVKDONJSA-N 1 2 239.265 3.566 20 0 BHADLO CC[C@H]([NH2+]Cc1cccc2ccoc21)C(F)F ZINC000449364956 383996987 /nfs/dbraw/zinc/99/69/87/383996987.db2.gz UNHVQWHIBUSNLG-NSHDSACASA-N 1 2 239.265 3.566 20 0 BHADLO Clc1ccc(C[NH+]2CC3(CC3)C2)cc1Cl ZINC000449369312 398291478 /nfs/dbraw/zinc/29/14/78/398291478.db2.gz BUOASJRDFUNYRJ-UHFFFAOYSA-N 1 2 242.149 3.589 20 0 BHADLO Clc1cccc(C[NH+]2CC3(CC3)C2)c1Cl ZINC000449371122 398314543 /nfs/dbraw/zinc/31/45/43/398314543.db2.gz QNGKSHWRPCHCRF-UHFFFAOYSA-N 1 2 242.149 3.589 20 0 BHADLO Clc1ccc(C[NH+]2CC3(CC3)C2)c(Cl)c1 ZINC000449371372 398292155 /nfs/dbraw/zinc/29/21/55/398292155.db2.gz UGTNJNMVSASRAN-UHFFFAOYSA-N 1 2 242.149 3.589 20 0 BHADLO Clc1cccc(Cl)c1C[NH+]1CC2(CC2)C1 ZINC000449371523 398292350 /nfs/dbraw/zinc/29/23/50/398292350.db2.gz VVXTUNBPPXNYIJ-UHFFFAOYSA-N 1 2 242.149 3.589 20 0 BHADLO Clc1cc(Cl)cc(C[NH+]2CC3(CC3)C2)c1 ZINC000449371676 398292199 /nfs/dbraw/zinc/29/21/99/398292199.db2.gz XMLPMCDDXKBKAV-UHFFFAOYSA-N 1 2 242.149 3.589 20 0 BHADLO Clc1ccc(Cl)c(C[NH+]2CC3(CC3)C2)c1 ZINC000449371694 398314553 /nfs/dbraw/zinc/31/45/53/398314553.db2.gz XRNZHOUVAYWENQ-UHFFFAOYSA-N 1 2 242.149 3.589 20 0 BHADLO F[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2Cl)C1 ZINC000449384122 388190192 /nfs/dbraw/zinc/19/01/92/388190192.db2.gz ABSTXYOVFYPOCZ-SECBINFHSA-N 1 2 248.128 3.537 20 0 BHADLO F[C@@H]1CC[N@H+](Cc2cccc(Cl)c2Cl)C1 ZINC000449384122 388190190 /nfs/dbraw/zinc/19/01/90/388190190.db2.gz ABSTXYOVFYPOCZ-SECBINFHSA-N 1 2 248.128 3.537 20 0 BHADLO F[C@H]1CC[N@@H+](Cc2cccc(Cl)c2Cl)C1 ZINC000449384133 388189974 /nfs/dbraw/zinc/18/99/74/388189974.db2.gz ABSTXYOVFYPOCZ-VIFPVBQESA-N 1 2 248.128 3.537 20 0 BHADLO F[C@H]1CC[N@H+](Cc2cccc(Cl)c2Cl)C1 ZINC000449384133 388189971 /nfs/dbraw/zinc/18/99/71/388189971.db2.gz ABSTXYOVFYPOCZ-VIFPVBQESA-N 1 2 248.128 3.537 20 0 BHADLO F[C@@H]1CC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000449388375 388191656 /nfs/dbraw/zinc/19/16/56/388191656.db2.gz OXXLALZQVYBGOS-SECBINFHSA-N 1 2 248.128 3.537 20 0 BHADLO F[C@@H]1CC[N@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000449388375 388191654 /nfs/dbraw/zinc/19/16/54/388191654.db2.gz OXXLALZQVYBGOS-SECBINFHSA-N 1 2 248.128 3.537 20 0 BHADLO F[C@H]1CC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000449388376 388192133 /nfs/dbraw/zinc/19/21/33/388192133.db2.gz OXXLALZQVYBGOS-VIFPVBQESA-N 1 2 248.128 3.537 20 0 BHADLO F[C@H]1CC[N@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000449388376 388192130 /nfs/dbraw/zinc/19/21/30/388192130.db2.gz OXXLALZQVYBGOS-VIFPVBQESA-N 1 2 248.128 3.537 20 0 BHADLO C[C@@H]([NH2+]Cc1ccc2occc2c1)C(C)(F)F ZINC000449411445 388198413 /nfs/dbraw/zinc/19/84/13/388198413.db2.gz BMJVEPRCXOCQGM-SECBINFHSA-N 1 2 239.265 3.566 20 0 BHADLO C[C@H]([NH2+]Cc1ccc2occc2c1)C(C)(F)F ZINC000449411446 388198488 /nfs/dbraw/zinc/19/84/88/388198488.db2.gz BMJVEPRCXOCQGM-VIFPVBQESA-N 1 2 239.265 3.566 20 0 BHADLO C/C(=C\c1ccccc1)C[NH2+][C@H](C)C(C)(F)F ZINC000449413378 388198139 /nfs/dbraw/zinc/19/81/39/388198139.db2.gz IIRLYRWVGZMXLM-LMMOQWNQSA-N 1 2 239.309 3.723 20 0 BHADLO C/C(=C/c1ccccc1)C[NH2+][C@@H](C)C(C)(F)F ZINC000449413379 388198168 /nfs/dbraw/zinc/19/81/68/388198168.db2.gz IIRLYRWVGZMXLM-MMRAYRKESA-N 1 2 239.309 3.723 20 0 BHADLO C/C(=C/c1ccccc1)C[NH2+][C@H](C)C(C)(F)F ZINC000449413380 388198031 /nfs/dbraw/zinc/19/80/31/388198031.db2.gz IIRLYRWVGZMXLM-UCQJPZFISA-N 1 2 239.309 3.723 20 0 BHADLO C/C(=C\c1ccccc1)C[NH2+][C@@H](C)C(C)(F)F ZINC000449413381 384298199 /nfs/dbraw/zinc/29/81/99/384298199.db2.gz IIRLYRWVGZMXLM-ZKQHCESOSA-N 1 2 239.309 3.723 20 0 BHADLO C[C@@H]([NH2+]Cc1cccc2ccoc21)C(C)(F)F ZINC000449417468 201911080 /nfs/dbraw/zinc/91/10/80/201911080.db2.gz YEEGXDUBEBGBGP-SECBINFHSA-N 1 2 239.265 3.566 20 0 BHADLO C[C@H]([NH2+]Cc1cccc2ccoc21)C(C)(F)F ZINC000449417469 388200206 /nfs/dbraw/zinc/20/02/06/388200206.db2.gz YEEGXDUBEBGBGP-VIFPVBQESA-N 1 2 239.265 3.566 20 0 BHADLO c1coc(C[N@H+]2CC3(CCC3)[C@@H]2c2ccco2)c1 ZINC000449628046 384759941 /nfs/dbraw/zinc/75/99/41/384759941.db2.gz BNUVRERKMKEIHL-AWEZNQCLSA-N 1 2 243.306 3.600 20 0 BHADLO c1coc(C[N@@H+]2CC3(CCC3)[C@@H]2c2ccco2)c1 ZINC000449628046 384759936 /nfs/dbraw/zinc/75/99/36/384759936.db2.gz BNUVRERKMKEIHL-AWEZNQCLSA-N 1 2 243.306 3.600 20 0 BHADLO c1coc(C[N@H+]2CC3(CCC3)[C@H]2c2ccco2)c1 ZINC000449628047 384759301 /nfs/dbraw/zinc/75/93/01/384759301.db2.gz BNUVRERKMKEIHL-CQSZACIVSA-N 1 2 243.306 3.600 20 0 BHADLO c1coc(C[N@@H+]2CC3(CCC3)[C@H]2c2ccco2)c1 ZINC000449628047 384759281 /nfs/dbraw/zinc/75/92/81/384759281.db2.gz BNUVRERKMKEIHL-CQSZACIVSA-N 1 2 243.306 3.600 20 0 BHADLO CCNc1[nH+]ccc2cc(C(F)(F)F)ccc21 ZINC000450208437 202096052 /nfs/dbraw/zinc/09/60/52/202096052.db2.gz MZUDKJISQDVEOV-UHFFFAOYSA-N 1 2 240.228 3.685 20 0 BHADLO FC(F)C[N@@H+](CCC1=CCCCC1)C1CC1 ZINC000450393982 202150037 /nfs/dbraw/zinc/15/00/37/202150037.db2.gz RBHKGUNYYRIGSG-UHFFFAOYSA-N 1 2 229.314 3.606 20 0 BHADLO FC(F)C[N@H+](CCC1=CCCCC1)C1CC1 ZINC000450393982 202150033 /nfs/dbraw/zinc/15/00/33/202150033.db2.gz RBHKGUNYYRIGSG-UHFFFAOYSA-N 1 2 229.314 3.606 20 0 BHADLO CC[N@@H+](CC1CC(F)(F)C1)c1ccccc1 ZINC000450514457 202189000 /nfs/dbraw/zinc/18/90/00/202189000.db2.gz DAVPXLHPARRRIM-UHFFFAOYSA-N 1 2 225.282 3.558 20 0 BHADLO CC[N@H+](CC1CC(F)(F)C1)c1ccccc1 ZINC000450514457 202188997 /nfs/dbraw/zinc/18/89/97/202188997.db2.gz DAVPXLHPARRRIM-UHFFFAOYSA-N 1 2 225.282 3.558 20 0 BHADLO CC(C)[N@@H+](CC1CCC(=O)CC1)c1ccccc1 ZINC000450518339 202189758 /nfs/dbraw/zinc/18/97/58/202189758.db2.gz PWNPZAAFWSKDCV-UHFFFAOYSA-N 1 2 245.366 3.661 20 0 BHADLO CC(C)[N@H+](CC1CCC(=O)CC1)c1ccccc1 ZINC000450518339 202189754 /nfs/dbraw/zinc/18/97/54/202189754.db2.gz PWNPZAAFWSKDCV-UHFFFAOYSA-N 1 2 245.366 3.661 20 0 BHADLO Cc1cccc([N@H+](CC[C@H]2CCOC2)C(C)C)c1 ZINC000450547996 202193866 /nfs/dbraw/zinc/19/38/66/202193866.db2.gz GCDGEIKCBWZQBD-HNNXBMFYSA-N 1 2 247.382 3.636 20 0 BHADLO Cc1cccc([N@@H+](CC[C@H]2CCOC2)C(C)C)c1 ZINC000450547996 202193863 /nfs/dbraw/zinc/19/38/63/202193863.db2.gz GCDGEIKCBWZQBD-HNNXBMFYSA-N 1 2 247.382 3.636 20 0 BHADLO Cc1cccc([N@H+](CC[C@@H]2CCOC2)C(C)C)c1 ZINC000450547998 202195441 /nfs/dbraw/zinc/19/54/41/202195441.db2.gz GCDGEIKCBWZQBD-OAHLLOKOSA-N 1 2 247.382 3.636 20 0 BHADLO Cc1cccc([N@@H+](CC[C@@H]2CCOC2)C(C)C)c1 ZINC000450547998 202195438 /nfs/dbraw/zinc/19/54/38/202195438.db2.gz GCDGEIKCBWZQBD-OAHLLOKOSA-N 1 2 247.382 3.636 20 0 BHADLO Cc1cc[nH+]c(NCCC(C)(F)F)c1Cl ZINC000450550157 202193792 /nfs/dbraw/zinc/19/37/92/202193792.db2.gz AXLVWSCCNVVJOA-UHFFFAOYSA-N 1 2 234.677 3.501 20 0 BHADLO Fc1cccc2c1CCC[C@@H]2Nc1cccc[nH+]1 ZINC000450555125 202197596 /nfs/dbraw/zinc/19/75/96/202197596.db2.gz LKYMXANQXMATEN-AWEZNQCLSA-N 1 2 242.297 3.710 20 0 BHADLO Fc1cccc2c1CCC[C@H]2Nc1cccc[nH+]1 ZINC000450555126 202197048 /nfs/dbraw/zinc/19/70/48/202197048.db2.gz LKYMXANQXMATEN-CQSZACIVSA-N 1 2 242.297 3.710 20 0 BHADLO Cc1ccccc1[N@H+](CC[C@H]1CCOC1)C(C)C ZINC000450555665 202196744 /nfs/dbraw/zinc/19/67/44/202196744.db2.gz MDWGTJWVNFJNTM-HNNXBMFYSA-N 1 2 247.382 3.636 20 0 BHADLO Cc1ccccc1[N@@H+](CC[C@H]1CCOC1)C(C)C ZINC000450555665 202196740 /nfs/dbraw/zinc/19/67/40/202196740.db2.gz MDWGTJWVNFJNTM-HNNXBMFYSA-N 1 2 247.382 3.636 20 0 BHADLO Cc1ccccc1[N@H+](CC[C@@H]1CCOC1)C(C)C ZINC000450555667 202196867 /nfs/dbraw/zinc/19/68/67/202196867.db2.gz MDWGTJWVNFJNTM-OAHLLOKOSA-N 1 2 247.382 3.636 20 0 BHADLO Cc1ccccc1[N@@H+](CC[C@@H]1CCOC1)C(C)C ZINC000450555667 202196863 /nfs/dbraw/zinc/19/68/63/202196863.db2.gz MDWGTJWVNFJNTM-OAHLLOKOSA-N 1 2 247.382 3.636 20 0 BHADLO Fc1ccc(C2CC2)cc1CNc1cccc[nH+]1 ZINC000450587030 202205420 /nfs/dbraw/zinc/20/54/20/202205420.db2.gz ACDWZDDTHYYFRN-UHFFFAOYSA-N 1 2 242.297 3.710 20 0 BHADLO Cc1cc2[nH+]cn(CCC(C)(F)F)c2cc1C ZINC000450913002 202307259 /nfs/dbraw/zinc/30/72/59/202307259.db2.gz IPXHATUTQGTXNZ-UHFFFAOYSA-N 1 2 238.281 3.698 20 0 BHADLO Cc1[nH]c2cc(CSC3CCC3)ccc2[nH+]1 ZINC000450985400 202327664 /nfs/dbraw/zinc/32/76/64/202327664.db2.gz JMPRXKBLQKDTIP-UHFFFAOYSA-N 1 2 232.352 3.657 20 0 BHADLO Cc1[nH]c2ccc(CSC3CCC3)cc2[nH+]1 ZINC000450985400 202327662 /nfs/dbraw/zinc/32/76/62/202327662.db2.gz JMPRXKBLQKDTIP-UHFFFAOYSA-N 1 2 232.352 3.657 20 0 BHADLO c1cn(-c2ccc(CSC3CCC3)cc2)c[nH+]1 ZINC000450990006 202329644 /nfs/dbraw/zinc/32/96/44/202329644.db2.gz GJZVNZLLSAPOBX-UHFFFAOYSA-N 1 2 244.363 3.658 20 0 BHADLO CC1(CSCCn2cc[nH+]c2)CCCCC1 ZINC000451013677 202330926 /nfs/dbraw/zinc/33/09/26/202330926.db2.gz AWUYRBJYTOSDES-UHFFFAOYSA-N 1 2 238.400 3.587 20 0 BHADLO Cn1cc[nH+]c1CSCC1(C)CCCCC1 ZINC000451014791 202332726 /nfs/dbraw/zinc/33/27/26/202332726.db2.gz DFFIUNUKLLKZMN-UHFFFAOYSA-N 1 2 238.400 3.624 20 0 BHADLO Cn1c[nH+]cc1CSCC1(C)CCCCC1 ZINC000451015558 202332734 /nfs/dbraw/zinc/33/27/34/202332734.db2.gz FSEQHAREQLVFIY-UHFFFAOYSA-N 1 2 238.400 3.624 20 0 BHADLO CC[C@@H]([NH2+][C@@H](C)c1ccccc1F)C(F)F ZINC000451176495 202371313 /nfs/dbraw/zinc/37/13/13/202371313.db2.gz QDAPUZKPCGDZRT-GZMMTYOYSA-N 1 2 231.261 3.520 20 0 BHADLO CC[C@H]([NH2+][C@H](C)c1ccccc1F)C(F)F ZINC000451176496 202371372 /nfs/dbraw/zinc/37/13/72/202371372.db2.gz QDAPUZKPCGDZRT-KCJUWKMLSA-N 1 2 231.261 3.520 20 0 BHADLO CC[C@H]([NH2+][C@@H](C)c1ccccc1F)C(F)F ZINC000451176497 202371031 /nfs/dbraw/zinc/37/10/31/202371031.db2.gz QDAPUZKPCGDZRT-KWQFWETISA-N 1 2 231.261 3.520 20 0 BHADLO CC[C@@H]([NH2+][C@H](C)c1ccccc1F)C(F)F ZINC000451176498 202369358 /nfs/dbraw/zinc/36/93/58/202369358.db2.gz QDAPUZKPCGDZRT-LDYMZIIASA-N 1 2 231.261 3.520 20 0 BHADLO C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1CC[C@@H](F)C1 ZINC000451181410 202370162 /nfs/dbraw/zinc/37/01/62/202370162.db2.gz FOZGYCYADCRMKT-PSASIEDQSA-N 1 2 245.700 3.584 20 0 BHADLO C[C@H](c1ccc(F)c(Cl)c1)[N@@H+]1CC[C@@H](F)C1 ZINC000451181410 202370159 /nfs/dbraw/zinc/37/01/59/202370159.db2.gz FOZGYCYADCRMKT-PSASIEDQSA-N 1 2 245.700 3.584 20 0 BHADLO C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1CC[C@H](F)C1 ZINC000451181411 202370004 /nfs/dbraw/zinc/37/00/04/202370004.db2.gz FOZGYCYADCRMKT-SCZZXKLOSA-N 1 2 245.700 3.584 20 0 BHADLO C[C@H](c1ccc(F)c(Cl)c1)[N@@H+]1CC[C@H](F)C1 ZINC000451181411 202370001 /nfs/dbraw/zinc/37/00/01/202370001.db2.gz FOZGYCYADCRMKT-SCZZXKLOSA-N 1 2 245.700 3.584 20 0 BHADLO C[C@@H](c1ccc(F)c(Cl)c1)[N@H+]1CC[C@@H](F)C1 ZINC000451181412 202369985 /nfs/dbraw/zinc/36/99/85/202369985.db2.gz FOZGYCYADCRMKT-WCBMZHEXSA-N 1 2 245.700 3.584 20 0 BHADLO C[C@@H](c1ccc(F)c(Cl)c1)[N@@H+]1CC[C@@H](F)C1 ZINC000451181412 202369982 /nfs/dbraw/zinc/36/99/82/202369982.db2.gz FOZGYCYADCRMKT-WCBMZHEXSA-N 1 2 245.700 3.584 20 0 BHADLO C[C@@H](c1ccc(F)c(Cl)c1)[N@H+]1CC[C@H](F)C1 ZINC000451181413 202370555 /nfs/dbraw/zinc/37/05/55/202370555.db2.gz FOZGYCYADCRMKT-WPRPVWTQSA-N 1 2 245.700 3.584 20 0 BHADLO C[C@@H](c1ccc(F)c(Cl)c1)[N@@H+]1CC[C@H](F)C1 ZINC000451181413 202370551 /nfs/dbraw/zinc/37/05/51/202370551.db2.gz FOZGYCYADCRMKT-WPRPVWTQSA-N 1 2 245.700 3.584 20 0 BHADLO C[C@H](c1cccc(Cl)c1F)[N@H+]1CC[C@H](F)C1 ZINC000451200082 202378326 /nfs/dbraw/zinc/37/83/26/202378326.db2.gz SCEDLOAEBMWENG-BDAKNGLRSA-N 1 2 245.700 3.584 20 0 BHADLO C[C@H](c1cccc(Cl)c1F)[N@@H+]1CC[C@H](F)C1 ZINC000451200082 202378323 /nfs/dbraw/zinc/37/83/23/202378323.db2.gz SCEDLOAEBMWENG-BDAKNGLRSA-N 1 2 245.700 3.584 20 0 BHADLO C[C@@H](c1cccc(Cl)c1F)[N@H+]1CC[C@@H](F)C1 ZINC000451200083 202378849 /nfs/dbraw/zinc/37/88/49/202378849.db2.gz SCEDLOAEBMWENG-DTWKUNHWSA-N 1 2 245.700 3.584 20 0 BHADLO C[C@@H](c1cccc(Cl)c1F)[N@@H+]1CC[C@@H](F)C1 ZINC000451200083 202378847 /nfs/dbraw/zinc/37/88/47/202378847.db2.gz SCEDLOAEBMWENG-DTWKUNHWSA-N 1 2 245.700 3.584 20 0 BHADLO C[C@@H](c1cccc(Cl)c1F)[N@H+]1CC[C@H](F)C1 ZINC000451200084 202378454 /nfs/dbraw/zinc/37/84/54/202378454.db2.gz SCEDLOAEBMWENG-IUCAKERBSA-N 1 2 245.700 3.584 20 0 BHADLO C[C@@H](c1cccc(Cl)c1F)[N@@H+]1CC[C@H](F)C1 ZINC000451200084 202378450 /nfs/dbraw/zinc/37/84/50/202378450.db2.gz SCEDLOAEBMWENG-IUCAKERBSA-N 1 2 245.700 3.584 20 0 BHADLO C[C@H](c1cccc(Cl)c1F)[N@H+]1CC[C@@H](F)C1 ZINC000451200085 202378145 /nfs/dbraw/zinc/37/81/45/202378145.db2.gz SCEDLOAEBMWENG-RKDXNWHRSA-N 1 2 245.700 3.584 20 0 BHADLO C[C@H](c1cccc(Cl)c1F)[N@@H+]1CC[C@@H](F)C1 ZINC000451200085 202378142 /nfs/dbraw/zinc/37/81/42/202378142.db2.gz SCEDLOAEBMWENG-RKDXNWHRSA-N 1 2 245.700 3.584 20 0 BHADLO CC[C@H](F)C[N@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451867596 388302385 /nfs/dbraw/zinc/30/23/85/388302385.db2.gz ZDYZGPHVJVEDAL-AAEUAGOBSA-N 1 2 237.318 3.555 20 0 BHADLO CC[C@H](F)C[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451867596 388302383 /nfs/dbraw/zinc/30/23/83/388302383.db2.gz ZDYZGPHVJVEDAL-AAEUAGOBSA-N 1 2 237.318 3.555 20 0 BHADLO CC[C@@H](F)C[N@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451867597 388302195 /nfs/dbraw/zinc/30/21/95/388302195.db2.gz ZDYZGPHVJVEDAL-DGCLKSJQSA-N 1 2 237.318 3.555 20 0 BHADLO CC[C@@H](F)C[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451867597 388302193 /nfs/dbraw/zinc/30/21/93/388302193.db2.gz ZDYZGPHVJVEDAL-DGCLKSJQSA-N 1 2 237.318 3.555 20 0 BHADLO CC[C@H](F)C[N@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451867598 388302283 /nfs/dbraw/zinc/30/22/83/388302283.db2.gz ZDYZGPHVJVEDAL-WCQYABFASA-N 1 2 237.318 3.555 20 0 BHADLO CC[C@H](F)C[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451867598 388302282 /nfs/dbraw/zinc/30/22/82/388302282.db2.gz ZDYZGPHVJVEDAL-WCQYABFASA-N 1 2 237.318 3.555 20 0 BHADLO CC[C@@H](F)C[N@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451867599 388302466 /nfs/dbraw/zinc/30/24/66/388302466.db2.gz ZDYZGPHVJVEDAL-YPMHNXCESA-N 1 2 237.318 3.555 20 0 BHADLO CC[C@@H](F)C[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451867599 388302465 /nfs/dbraw/zinc/30/24/65/388302465.db2.gz ZDYZGPHVJVEDAL-YPMHNXCESA-N 1 2 237.318 3.555 20 0 BHADLO CCc1c[nH+]ccc1[C@H](C)[C@@H]1C[C@H](C)O[C@H]1C ZINC000453150461 387998865 /nfs/dbraw/zinc/99/88/65/387998865.db2.gz RXWIGXRFSYACLM-ASHKBJFXSA-N 1 2 233.355 3.561 20 0 BHADLO CCc1c[nH+]ccc1[C@H](C)[C@@H]1C[C@H](C)O[C@@H]1C ZINC000453150462 387998477 /nfs/dbraw/zinc/99/84/77/387998477.db2.gz RXWIGXRFSYACLM-OHTBPHCPSA-N 1 2 233.355 3.561 20 0 BHADLO CCc1c[nH+]ccc1[C@H](C)[C@@H]1C[C@@H](C)O[C@H]1C ZINC000453150463 386197905 /nfs/dbraw/zinc/19/79/05/386197905.db2.gz RXWIGXRFSYACLM-YXMPFFBPSA-N 1 2 233.355 3.561 20 0 BHADLO CCc1c[nH+]ccc1[C@H](C)[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000453150464 386198290 /nfs/dbraw/zinc/19/82/90/386198290.db2.gz RXWIGXRFSYACLM-ZAZJYDDPSA-N 1 2 233.355 3.561 20 0 BHADLO CCn1cc[nH+]c1[C@@H](C)Nc1ccc(C)c(F)c1 ZINC000453167292 388001210 /nfs/dbraw/zinc/00/12/10/388001210.db2.gz AKHIEMHUZARIMY-LLVKDONJSA-N 1 2 247.317 3.524 20 0 BHADLO CCn1cc[nH+]c1[C@H](C)Nc1ccc(C)c(F)c1 ZINC000453167293 388001932 /nfs/dbraw/zinc/00/19/32/388001932.db2.gz AKHIEMHUZARIMY-NSHDSACASA-N 1 2 247.317 3.524 20 0 BHADLO CCn1cc[nH+]c1[C@@H](C)Nc1ccc(F)c(C)c1 ZINC000453174503 388002811 /nfs/dbraw/zinc/00/28/11/388002811.db2.gz BEDALTPHLCHIFV-LLVKDONJSA-N 1 2 247.317 3.524 20 0 BHADLO CCn1cc[nH+]c1[C@H](C)Nc1ccc(F)c(C)c1 ZINC000453174504 388003229 /nfs/dbraw/zinc/00/32/29/388003229.db2.gz BEDALTPHLCHIFV-NSHDSACASA-N 1 2 247.317 3.524 20 0 BHADLO CCn1cc[nH+]c1[C@@H](C)Nc1cc(C)cc(F)c1 ZINC000453175348 388003789 /nfs/dbraw/zinc/00/37/89/388003789.db2.gz BEXJEBJBPGYKGC-LLVKDONJSA-N 1 2 247.317 3.524 20 0 BHADLO CCn1cc[nH+]c1[C@H](C)Nc1cc(C)cc(F)c1 ZINC000453175350 388003727 /nfs/dbraw/zinc/00/37/27/388003727.db2.gz BEXJEBJBPGYKGC-NSHDSACASA-N 1 2 247.317 3.524 20 0 BHADLO CCn1cc[nH+]c1[C@@H](C)Nc1cccc(C)c1F ZINC000453183798 388004418 /nfs/dbraw/zinc/00/44/18/388004418.db2.gz OIKPWBZNEYOHIQ-LLVKDONJSA-N 1 2 247.317 3.524 20 0 BHADLO CCn1cc[nH+]c1[C@H](C)Nc1cccc(C)c1F ZINC000453183799 388004472 /nfs/dbraw/zinc/00/44/72/388004472.db2.gz OIKPWBZNEYOHIQ-NSHDSACASA-N 1 2 247.317 3.524 20 0 BHADLO CCn1cc[nH+]c1[C@@H](C)Nc1cc(F)ccc1C ZINC000453184778 388005241 /nfs/dbraw/zinc/00/52/41/388005241.db2.gz SDEALPIZMRKOBT-LLVKDONJSA-N 1 2 247.317 3.524 20 0 BHADLO CCn1cc[nH+]c1[C@H](C)Nc1cc(F)ccc1C ZINC000453184779 388004344 /nfs/dbraw/zinc/00/43/44/388004344.db2.gz SDEALPIZMRKOBT-NSHDSACASA-N 1 2 247.317 3.524 20 0 BHADLO Cc1cc([C@@H](C)[NH2+]C2(C(F)F)CC2)cs1 ZINC000453217416 388012503 /nfs/dbraw/zinc/01/25/03/388012503.db2.gz OUUDVBXJLXCOMQ-MRVPVSSYSA-N 1 2 231.311 3.505 20 0 BHADLO Cc1cc([C@H](C)[NH2+]C2(C(F)F)CC2)cs1 ZINC000453217417 388012662 /nfs/dbraw/zinc/01/26/62/388012662.db2.gz OUUDVBXJLXCOMQ-QMMMGPOBSA-N 1 2 231.311 3.505 20 0 BHADLO CC[C@@H]([NH2+][C@@H](C)c1cccc(C)c1)C(F)F ZINC000453229271 388016636 /nfs/dbraw/zinc/01/66/36/388016636.db2.gz CLVLJRIMRFYXBO-CMPLNLGQSA-N 1 2 227.298 3.689 20 0 BHADLO CC[C@H]([NH2+][C@@H](C)c1cccc(C)c1)C(F)F ZINC000453229281 388015866 /nfs/dbraw/zinc/01/58/66/388015866.db2.gz CLVLJRIMRFYXBO-JQWIXIFHSA-N 1 2 227.298 3.689 20 0 BHADLO CC[C@H]([NH2+][C@H](C)c1cccc(C)c1)C(F)F ZINC000453229283 388016395 /nfs/dbraw/zinc/01/63/95/388016395.db2.gz CLVLJRIMRFYXBO-PWSUYJOCSA-N 1 2 227.298 3.689 20 0 BHADLO CC[C@@H]([NH2+][C@H](C)c1cccc(C)c1)C(F)F ZINC000453229290 388015644 /nfs/dbraw/zinc/01/56/44/388015644.db2.gz CLVLJRIMRFYXBO-ZYHUDNBSSA-N 1 2 227.298 3.689 20 0 BHADLO CC[C@@H]([NH2+][C@@H]1CCc2c1cccc2C)C(F)F ZINC000453230292 388017571 /nfs/dbraw/zinc/01/75/71/388017571.db2.gz DPXWFWBHIQTNHG-CHWSQXEVSA-N 1 2 239.309 3.616 20 0 BHADLO CC[C@@H]([NH2+][C@H]1CCc2c1cccc2C)C(F)F ZINC000453230293 388017285 /nfs/dbraw/zinc/01/72/85/388017285.db2.gz DPXWFWBHIQTNHG-OLZOCXBDSA-N 1 2 239.309 3.616 20 0 BHADLO CC[C@H]([NH2+][C@@H]1CCc2c1cccc2C)C(F)F ZINC000453230294 388017676 /nfs/dbraw/zinc/01/76/76/388017676.db2.gz DPXWFWBHIQTNHG-QWHCGFSZSA-N 1 2 239.309 3.616 20 0 BHADLO CC[C@H]([NH2+][C@H]1CCc2c1cccc2C)C(F)F ZINC000453230295 386262260 /nfs/dbraw/zinc/26/22/60/386262260.db2.gz DPXWFWBHIQTNHG-STQMWFEESA-N 1 2 239.309 3.616 20 0 BHADLO CC[C@@H]([NH2+][C@@H](C)c1ccccc1C)C(F)F ZINC000453230443 388017888 /nfs/dbraw/zinc/01/78/88/388017888.db2.gz DZBJOTARHAHKHK-CMPLNLGQSA-N 1 2 227.298 3.689 20 0 BHADLO CC[C@H]([NH2+][C@@H](C)c1ccccc1C)C(F)F ZINC000453230444 388018031 /nfs/dbraw/zinc/01/80/31/388018031.db2.gz DZBJOTARHAHKHK-JQWIXIFHSA-N 1 2 227.298 3.689 20 0 BHADLO CC[C@H]([NH2+][C@H](C)c1ccccc1C)C(F)F ZINC000453230446 388018067 /nfs/dbraw/zinc/01/80/67/388018067.db2.gz DZBJOTARHAHKHK-PWSUYJOCSA-N 1 2 227.298 3.689 20 0 BHADLO CC[C@@H]([NH2+][C@H](C)c1ccccc1C)C(F)F ZINC000453230448 388017751 /nfs/dbraw/zinc/01/77/51/388017751.db2.gz DZBJOTARHAHKHK-ZYHUDNBSSA-N 1 2 227.298 3.689 20 0 BHADLO CC[C@@H]([NH2+][C@@H](C)c1cc(C)oc1C)C(F)F ZINC000453231900 388017118 /nfs/dbraw/zinc/01/71/18/388017118.db2.gz FROFOJSROFYVBC-GZMMTYOYSA-N 1 2 231.286 3.591 20 0 BHADLO CC[C@H]([NH2+][C@H](C)c1cc(C)oc1C)C(F)F ZINC000453231902 388017757 /nfs/dbraw/zinc/01/77/57/388017757.db2.gz FROFOJSROFYVBC-KCJUWKMLSA-N 1 2 231.286 3.591 20 0 BHADLO CC[C@H]([NH2+][C@@H](C)c1cc(C)oc1C)C(F)F ZINC000453231905 202713765 /nfs/dbraw/zinc/71/37/65/202713765.db2.gz FROFOJSROFYVBC-KWQFWETISA-N 1 2 231.286 3.591 20 0 BHADLO CC[C@@H]([NH2+][C@H](C)c1cc(C)oc1C)C(F)F ZINC000453231907 388017596 /nfs/dbraw/zinc/01/75/96/388017596.db2.gz FROFOJSROFYVBC-LDYMZIIASA-N 1 2 231.286 3.591 20 0 BHADLO CCc1ccc([C@@H](C)[NH2+][C@H](CC)C(F)F)o1 ZINC000453232033 388017898 /nfs/dbraw/zinc/01/78/98/388017898.db2.gz GCVZLNCFASLTHQ-PSASIEDQSA-N 1 2 231.286 3.536 20 0 BHADLO CCc1ccc([C@@H](C)[NH2+][C@@H](CC)C(F)F)o1 ZINC000453232035 388017785 /nfs/dbraw/zinc/01/77/85/388017785.db2.gz GCVZLNCFASLTHQ-SCZZXKLOSA-N 1 2 231.286 3.536 20 0 BHADLO CCc1ccc([C@H](C)[NH2+][C@H](CC)C(F)F)o1 ZINC000453232037 388014461 /nfs/dbraw/zinc/01/44/61/388014461.db2.gz GCVZLNCFASLTHQ-WCBMZHEXSA-N 1 2 231.286 3.536 20 0 BHADLO CCc1ccc([C@H](C)[NH2+][C@@H](CC)C(F)F)o1 ZINC000453232038 388014676 /nfs/dbraw/zinc/01/46/76/388014676.db2.gz GCVZLNCFASLTHQ-WPRPVWTQSA-N 1 2 231.286 3.536 20 0 BHADLO CC[C@@H]([NH2+][C@H](C)c1csc(C)c1)C(F)F ZINC000453233058 388018017 /nfs/dbraw/zinc/01/80/17/388018017.db2.gz GYLLUTIARDPOIS-PSASIEDQSA-N 1 2 233.327 3.751 20 0 BHADLO CC[C@H]([NH2+][C@H](C)c1csc(C)c1)C(F)F ZINC000453233059 388014737 /nfs/dbraw/zinc/01/47/37/388014737.db2.gz GYLLUTIARDPOIS-SCZZXKLOSA-N 1 2 233.327 3.751 20 0 BHADLO CC[C@@H]([NH2+][C@@H](C)c1csc(C)c1)C(F)F ZINC000453233060 388014642 /nfs/dbraw/zinc/01/46/42/388014642.db2.gz GYLLUTIARDPOIS-WCBMZHEXSA-N 1 2 233.327 3.751 20 0 BHADLO CC[C@H]([NH2+][C@@H](C)c1csc(C)c1)C(F)F ZINC000453233061 202712266 /nfs/dbraw/zinc/71/22/66/202712266.db2.gz GYLLUTIARDPOIS-WPRPVWTQSA-N 1 2 233.327 3.751 20 0 BHADLO CC[C@@H]([NH2+]C1(C(F)F)CC1)c1ccsc1 ZINC000453233116 388019516 /nfs/dbraw/zinc/01/95/16/388019516.db2.gz YTHDIQQSZLVXDO-SECBINFHSA-N 1 2 231.311 3.587 20 0 BHADLO CC[C@H]([NH2+]C1(C(F)F)CC1)c1ccsc1 ZINC000453233125 388019561 /nfs/dbraw/zinc/01/95/61/388019561.db2.gz YTHDIQQSZLVXDO-VIFPVBQESA-N 1 2 231.311 3.587 20 0 BHADLO CC[C@@H]([NH2+][C@@H](CC)C(F)F)c1cccc(F)c1 ZINC000453242716 388019228 /nfs/dbraw/zinc/01/92/28/388019228.db2.gz HRANROGLIHSTLA-NEPJUHHUSA-N 1 2 245.288 3.910 20 0 BHADLO CC[C@@H]([NH2+][C@@H](CC)c1cccc(F)c1)C(F)F ZINC000453242726 388019679 /nfs/dbraw/zinc/01/96/79/388019679.db2.gz HRANROGLIHSTLA-NWDGAFQWSA-N 1 2 245.288 3.910 20 0 BHADLO CC[C@H]([NH2+][C@@H](CC)C(F)F)c1cccc(F)c1 ZINC000453242738 388019685 /nfs/dbraw/zinc/01/96/85/388019685.db2.gz HRANROGLIHSTLA-RYUDHWBXSA-N 1 2 245.288 3.910 20 0 BHADLO CC[C@@H]([NH2+][C@H](CC)C(F)F)c1cccc(F)c1 ZINC000453242750 388019027 /nfs/dbraw/zinc/01/90/27/388019027.db2.gz HRANROGLIHSTLA-VXGBXAGGSA-N 1 2 245.288 3.910 20 0 BHADLO CC[C@@H]([NH2+][C@@H](CC)C(F)F)c1ccc(F)cc1 ZINC000453242896 388022056 /nfs/dbraw/zinc/02/20/56/388022056.db2.gz IGHJCFAATBZMIO-NEPJUHHUSA-N 1 2 245.288 3.910 20 0 BHADLO CC[C@@H]([NH2+][C@@H](CC)c1ccc(F)cc1)C(F)F ZINC000453242897 388022277 /nfs/dbraw/zinc/02/22/77/388022277.db2.gz IGHJCFAATBZMIO-NWDGAFQWSA-N 1 2 245.288 3.910 20 0 BHADLO CC[C@H]([NH2+][C@@H](CC)C(F)F)c1ccc(F)cc1 ZINC000453242899 388021583 /nfs/dbraw/zinc/02/15/83/388021583.db2.gz IGHJCFAATBZMIO-RYUDHWBXSA-N 1 2 245.288 3.910 20 0 BHADLO CC[C@@H]([NH2+][C@H](CC)C(F)F)c1ccc(F)cc1 ZINC000453242902 388021780 /nfs/dbraw/zinc/02/17/80/388021780.db2.gz IGHJCFAATBZMIO-VXGBXAGGSA-N 1 2 245.288 3.910 20 0 BHADLO CC[C@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)C(F)F ZINC000453242930 388022044 /nfs/dbraw/zinc/02/20/44/388022044.db2.gz ILMXWDOEGLDVMG-CPCISQLKSA-N 1 2 249.251 3.659 20 0 BHADLO CC[C@H]([NH2+][C@H](C)c1ccc(F)c(F)c1)C(F)F ZINC000453242931 388022510 /nfs/dbraw/zinc/02/25/10/388022510.db2.gz ILMXWDOEGLDVMG-HQJQHLMTSA-N 1 2 249.251 3.659 20 0 BHADLO CC[C@@H]([NH2+][C@H](C)c1ccc(F)c(F)c1)C(F)F ZINC000453242933 388021656 /nfs/dbraw/zinc/02/16/56/388021656.db2.gz ILMXWDOEGLDVMG-RDDDGLTNSA-N 1 2 249.251 3.659 20 0 BHADLO CC[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)C(F)F ZINC000453242936 388022138 /nfs/dbraw/zinc/02/21/38/388022138.db2.gz ILMXWDOEGLDVMG-WRWORJQWSA-N 1 2 249.251 3.659 20 0 BHADLO CC[C@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1)C(F)F ZINC000453243715 388024002 /nfs/dbraw/zinc/02/40/02/388024002.db2.gz JJXHEZWXPADPRL-CPCISQLKSA-N 1 2 249.251 3.659 20 0 BHADLO CC[C@H]([NH2+][C@H](C)c1cc(F)cc(F)c1)C(F)F ZINC000453243716 388023043 /nfs/dbraw/zinc/02/30/43/388023043.db2.gz JJXHEZWXPADPRL-HQJQHLMTSA-N 1 2 249.251 3.659 20 0 BHADLO CC[C@@H]([NH2+][C@H](C)c1cc(F)cc(F)c1)C(F)F ZINC000453243717 388024220 /nfs/dbraw/zinc/02/42/20/388024220.db2.gz JJXHEZWXPADPRL-RDDDGLTNSA-N 1 2 249.251 3.659 20 0 BHADLO CC[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1)C(F)F ZINC000453243718 202713849 /nfs/dbraw/zinc/71/38/49/202713849.db2.gz JJXHEZWXPADPRL-WRWORJQWSA-N 1 2 249.251 3.659 20 0 BHADLO CC[C@@H]([NH2+][C@@H](CC)C(F)F)c1cccs1 ZINC000453243745 388024077 /nfs/dbraw/zinc/02/40/77/388024077.db2.gz JKXILSKJGLPIEO-BDAKNGLRSA-N 1 2 233.327 3.833 20 0 BHADLO CC[C@@H]([NH2+][C@@H](CC)c1cccs1)C(F)F ZINC000453243748 388023532 /nfs/dbraw/zinc/02/35/32/388023532.db2.gz JKXILSKJGLPIEO-DTWKUNHWSA-N 1 2 233.327 3.833 20 0 BHADLO CC[C@H]([NH2+][C@@H](CC)C(F)F)c1cccs1 ZINC000453243751 388023734 /nfs/dbraw/zinc/02/37/34/388023734.db2.gz JKXILSKJGLPIEO-IUCAKERBSA-N 1 2 233.327 3.833 20 0 BHADLO CC[C@@H]([NH2+][C@H](CC)C(F)F)c1cccs1 ZINC000453243752 388023916 /nfs/dbraw/zinc/02/39/16/388023916.db2.gz JKXILSKJGLPIEO-RKDXNWHRSA-N 1 2 233.327 3.833 20 0 BHADLO CC[C@@H]([NH2+][C@H](CC)C(F)F)c1ccsc1 ZINC000453247074 388024815 /nfs/dbraw/zinc/02/48/15/388024815.db2.gz NTPKKZOXZDNOFW-NXEZZACHSA-N 1 2 233.327 3.833 20 0 BHADLO CC[C@H]([NH2+][C@@H](CC)C(F)F)c1ccsc1 ZINC000453247075 388025087 /nfs/dbraw/zinc/02/50/87/388025087.db2.gz NTPKKZOXZDNOFW-UWVGGRQHSA-N 1 2 233.327 3.833 20 0 BHADLO CC[C@@H]([NH2+][C@@H](CC)c1ccsc1)C(F)F ZINC000453247077 388025681 /nfs/dbraw/zinc/02/56/81/388025681.db2.gz NTPKKZOXZDNOFW-VHSXEESVSA-N 1 2 233.327 3.833 20 0 BHADLO CC[C@@H]([NH2+][C@@H](CC)C(F)F)c1ccsc1 ZINC000453247079 388025384 /nfs/dbraw/zinc/02/53/84/388025384.db2.gz NTPKKZOXZDNOFW-ZJUUUORDSA-N 1 2 233.327 3.833 20 0 BHADLO CC[C@H]([NH2+][C@H](C)c1ccc(C)s1)C(F)F ZINC000453247083 388025672 /nfs/dbraw/zinc/02/56/72/388025672.db2.gz NWSBEPGSUSMNOQ-BDAKNGLRSA-N 1 2 233.327 3.751 20 0 BHADLO CC[C@@H]([NH2+][C@@H](C)c1ccc(C)s1)C(F)F ZINC000453247084 388025482 /nfs/dbraw/zinc/02/54/82/388025482.db2.gz NWSBEPGSUSMNOQ-DTWKUNHWSA-N 1 2 233.327 3.751 20 0 BHADLO CC[C@H]([NH2+][C@@H](C)c1ccc(C)s1)C(F)F ZINC000453247085 388025145 /nfs/dbraw/zinc/02/51/45/388025145.db2.gz NWSBEPGSUSMNOQ-IUCAKERBSA-N 1 2 233.327 3.751 20 0 BHADLO CC[C@@H]([NH2+][C@H](C)c1ccc(C)s1)C(F)F ZINC000453247086 388025155 /nfs/dbraw/zinc/02/51/55/388025155.db2.gz NWSBEPGSUSMNOQ-RKDXNWHRSA-N 1 2 233.327 3.751 20 0 BHADLO CC[C@H]([NH2+][C@H](C)c1sccc1C)C(F)F ZINC000453249329 388025178 /nfs/dbraw/zinc/02/51/78/388025178.db2.gz QBPLVMBMWJNMTB-BDAKNGLRSA-N 1 2 233.327 3.751 20 0 BHADLO CC[C@@H]([NH2+][C@@H](C)c1sccc1C)C(F)F ZINC000453249330 388025642 /nfs/dbraw/zinc/02/56/42/388025642.db2.gz QBPLVMBMWJNMTB-DTWKUNHWSA-N 1 2 233.327 3.751 20 0 BHADLO CC[C@H]([NH2+][C@@H](C)c1sccc1C)C(F)F ZINC000453249331 388025554 /nfs/dbraw/zinc/02/55/54/388025554.db2.gz QBPLVMBMWJNMTB-IUCAKERBSA-N 1 2 233.327 3.751 20 0 BHADLO CC[C@@H]([NH2+][C@H](C)c1sccc1C)C(F)F ZINC000453249332 388025342 /nfs/dbraw/zinc/02/53/42/388025342.db2.gz QBPLVMBMWJNMTB-RKDXNWHRSA-N 1 2 233.327 3.751 20 0 BHADLO CC[C@H]([NH2+][C@H]1C[C@@H](C)c2ccccc21)C(F)F ZINC000453249924 388025490 /nfs/dbraw/zinc/02/54/90/388025490.db2.gz QWMNQSUPOGCIJH-ICCXJUOJSA-N 1 2 239.309 3.868 20 0 BHADLO CC[C@H]([NH2+][C@@H]1C[C@@H](C)c2ccccc21)C(F)F ZINC000453249925 202720871 /nfs/dbraw/zinc/72/08/71/202720871.db2.gz QWMNQSUPOGCIJH-JIMOISOXSA-N 1 2 239.309 3.868 20 0 BHADLO CC[C@H]([NH2+][C@@H]1C[C@H](C)c2ccccc21)C(F)F ZINC000453249926 388025465 /nfs/dbraw/zinc/02/54/65/388025465.db2.gz QWMNQSUPOGCIJH-TVYUQYBPSA-N 1 2 239.309 3.868 20 0 BHADLO CC[C@H]([NH2+][C@H]1C[C@H](C)c2ccccc21)C(F)F ZINC000453249928 388025080 /nfs/dbraw/zinc/02/50/80/388025080.db2.gz QWMNQSUPOGCIJH-XDTLVQLUSA-N 1 2 239.309 3.868 20 0 BHADLO CC[C@@H]([NH2+][C@@H]1CCc2ccc(C)cc21)C(F)F ZINC000453250675 388024983 /nfs/dbraw/zinc/02/49/83/388024983.db2.gz SEZTUHXSXIRDLE-CHWSQXEVSA-N 1 2 239.309 3.616 20 0 BHADLO CC[C@@H]([NH2+][C@H]1CCc2ccc(C)cc21)C(F)F ZINC000453250677 388026749 /nfs/dbraw/zinc/02/67/49/388026749.db2.gz SEZTUHXSXIRDLE-OLZOCXBDSA-N 1 2 239.309 3.616 20 0 BHADLO CC[C@H]([NH2+][C@@H]1CCc2ccc(C)cc21)C(F)F ZINC000453250679 388026339 /nfs/dbraw/zinc/02/63/39/388026339.db2.gz SEZTUHXSXIRDLE-QWHCGFSZSA-N 1 2 239.309 3.616 20 0 BHADLO CC[C@H]([NH2+][C@H]1CCc2ccc(C)cc21)C(F)F ZINC000453250681 388026587 /nfs/dbraw/zinc/02/65/87/388026587.db2.gz SEZTUHXSXIRDLE-STQMWFEESA-N 1 2 239.309 3.616 20 0 BHADLO CC[C@@H]([NH2+][C@@H](C)c1cccc(F)c1)C(F)F ZINC000453250691 388026656 /nfs/dbraw/zinc/02/66/56/388026656.db2.gz SHXWVYXKSHMHNE-GZMMTYOYSA-N 1 2 231.261 3.520 20 0 BHADLO CC[C@H]([NH2+][C@H](C)c1cccc(F)c1)C(F)F ZINC000453250693 388027084 /nfs/dbraw/zinc/02/70/84/388027084.db2.gz SHXWVYXKSHMHNE-KCJUWKMLSA-N 1 2 231.261 3.520 20 0 BHADLO CC[C@H]([NH2+][C@@H](C)c1cccc(F)c1)C(F)F ZINC000453250694 388025297 /nfs/dbraw/zinc/02/52/97/388025297.db2.gz SHXWVYXKSHMHNE-KWQFWETISA-N 1 2 231.261 3.520 20 0 BHADLO CC[C@@H]([NH2+][C@H](C)c1cccc(F)c1)C(F)F ZINC000453250696 388025150 /nfs/dbraw/zinc/02/51/50/388025150.db2.gz SHXWVYXKSHMHNE-LDYMZIIASA-N 1 2 231.261 3.520 20 0 BHADLO CC[C@@H]([NH2+][C@@H]1CCCc2sccc21)C(F)F ZINC000453251367 388027167 /nfs/dbraw/zinc/02/71/67/388027167.db2.gz SWHAMCOOTYQSPN-NXEZZACHSA-N 1 2 245.338 3.759 20 0 BHADLO CC[C@H]([NH2+][C@H]1CCCc2sccc21)C(F)F ZINC000453251368 388026646 /nfs/dbraw/zinc/02/66/46/388026646.db2.gz SWHAMCOOTYQSPN-UWVGGRQHSA-N 1 2 245.338 3.759 20 0 BHADLO CC[C@H]([NH2+][C@@H]1CCCc2sccc21)C(F)F ZINC000453251369 388027230 /nfs/dbraw/zinc/02/72/30/388027230.db2.gz SWHAMCOOTYQSPN-VHSXEESVSA-N 1 2 245.338 3.759 20 0 BHADLO CC[C@@H]([NH2+][C@H]1CCCc2sccc21)C(F)F ZINC000453251370 388027220 /nfs/dbraw/zinc/02/72/20/388027220.db2.gz SWHAMCOOTYQSPN-ZJUUUORDSA-N 1 2 245.338 3.759 20 0 BHADLO CC[C@@H]([NH2+][C@H](C)c1cc(C)c(C)o1)C(F)F ZINC000453253268 388026347 /nfs/dbraw/zinc/02/63/47/388026347.db2.gz WKZTZJFKTIAIIJ-PSASIEDQSA-N 1 2 231.286 3.591 20 0 BHADLO CC[C@H]([NH2+][C@H](C)c1cc(C)c(C)o1)C(F)F ZINC000453253270 388027247 /nfs/dbraw/zinc/02/72/47/388027247.db2.gz WKZTZJFKTIAIIJ-SCZZXKLOSA-N 1 2 231.286 3.591 20 0 BHADLO CC[C@@H]([NH2+][C@@H](C)c1cc(C)c(C)o1)C(F)F ZINC000453253272 388026498 /nfs/dbraw/zinc/02/64/98/388026498.db2.gz WKZTZJFKTIAIIJ-WCBMZHEXSA-N 1 2 231.286 3.591 20 0 BHADLO CC[C@H]([NH2+][C@@H](C)c1cc(C)c(C)o1)C(F)F ZINC000453253274 388026231 /nfs/dbraw/zinc/02/62/31/388026231.db2.gz WKZTZJFKTIAIIJ-WPRPVWTQSA-N 1 2 231.286 3.591 20 0 BHADLO CC[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1)C(F)F ZINC000453254334 386285229 /nfs/dbraw/zinc/28/52/29/386285229.db2.gz YGDKSUXKCZHLHM-GZMMTYOYSA-N 1 2 231.261 3.520 20 0 BHADLO CC[C@H]([NH2+][C@H](C)c1ccc(F)cc1)C(F)F ZINC000453254336 386283378 /nfs/dbraw/zinc/28/33/78/386283378.db2.gz YGDKSUXKCZHLHM-KCJUWKMLSA-N 1 2 231.261 3.520 20 0 BHADLO CC[C@H]([NH2+][C@@H](C)c1ccc(F)cc1)C(F)F ZINC000453254338 386284892 /nfs/dbraw/zinc/28/48/92/386284892.db2.gz YGDKSUXKCZHLHM-KWQFWETISA-N 1 2 231.261 3.520 20 0 BHADLO CC[C@@H]([NH2+][C@H](C)c1ccc(F)cc1)C(F)F ZINC000453254340 386283864 /nfs/dbraw/zinc/28/38/64/386283864.db2.gz YGDKSUXKCZHLHM-LDYMZIIASA-N 1 2 231.261 3.520 20 0 BHADLO CC[C@@H]([NH2+][C@@H](C)c1ccc(C)cc1)C(F)F ZINC000453255310 388026368 /nfs/dbraw/zinc/02/63/68/388026368.db2.gz ZSAVTSLJKZWHRN-CMPLNLGQSA-N 1 2 227.298 3.689 20 0 BHADLO CC[C@H]([NH2+][C@@H](C)c1ccc(C)cc1)C(F)F ZINC000453255314 388026706 /nfs/dbraw/zinc/02/67/06/388026706.db2.gz ZSAVTSLJKZWHRN-JQWIXIFHSA-N 1 2 227.298 3.689 20 0 BHADLO CC[C@H]([NH2+][C@H](C)c1ccc(C)cc1)C(F)F ZINC000453255316 388027075 /nfs/dbraw/zinc/02/70/75/388027075.db2.gz ZSAVTSLJKZWHRN-PWSUYJOCSA-N 1 2 227.298 3.689 20 0 BHADLO CC[C@@H]([NH2+][C@H](C)c1ccc(C)cc1)C(F)F ZINC000453255320 388026296 /nfs/dbraw/zinc/02/62/96/388026296.db2.gz ZSAVTSLJKZWHRN-ZYHUDNBSSA-N 1 2 227.298 3.689 20 0 BHADLO Cc1cccc2c1CC[C@@H]2[NH2+][C@@H](C)C(C)(F)F ZINC000453280605 388032866 /nfs/dbraw/zinc/03/28/66/388032866.db2.gz GXFAYYYXYDIUMU-GWCFXTLKSA-N 1 2 239.309 3.616 20 0 BHADLO Cc1cccc2c1CC[C@H]2[NH2+][C@@H](C)C(C)(F)F ZINC000453280607 388032898 /nfs/dbraw/zinc/03/28/98/388032898.db2.gz GXFAYYYXYDIUMU-GXFFZTMASA-N 1 2 239.309 3.616 20 0 BHADLO Cc1cccc2c1CC[C@@H]2[NH2+][C@H](C)C(C)(F)F ZINC000453280609 388032631 /nfs/dbraw/zinc/03/26/31/388032631.db2.gz GXFAYYYXYDIUMU-MFKMUULPSA-N 1 2 239.309 3.616 20 0 BHADLO Cc1cccc2c1CC[C@H]2[NH2+][C@H](C)C(C)(F)F ZINC000453280611 388032882 /nfs/dbraw/zinc/03/28/82/388032882.db2.gz GXFAYYYXYDIUMU-ZWNOBZJWSA-N 1 2 239.309 3.616 20 0 BHADLO Cc1cc([C@@H](C)[NH2+][C@H](C)C(C)(F)F)oc1C ZINC000453297440 388038189 /nfs/dbraw/zinc/03/81/89/388038189.db2.gz RNHSILVIPWAVLC-PSASIEDQSA-N 1 2 231.286 3.591 20 0 BHADLO Cc1cc([C@@H](C)[NH2+][C@@H](C)C(C)(F)F)oc1C ZINC000453297441 388038750 /nfs/dbraw/zinc/03/87/50/388038750.db2.gz RNHSILVIPWAVLC-SCZZXKLOSA-N 1 2 231.286 3.591 20 0 BHADLO Cc1cc([C@H](C)[NH2+][C@H](C)C(C)(F)F)oc1C ZINC000453297442 388038796 /nfs/dbraw/zinc/03/87/96/388038796.db2.gz RNHSILVIPWAVLC-WCBMZHEXSA-N 1 2 231.286 3.591 20 0 BHADLO Cc1cc([C@H](C)[NH2+][C@@H](C)C(C)(F)F)oc1C ZINC000453297443 388038761 /nfs/dbraw/zinc/03/87/61/388038761.db2.gz RNHSILVIPWAVLC-WPRPVWTQSA-N 1 2 231.286 3.591 20 0 BHADLO CCc1ccc([C@@H](C)[NH2+][C@@H](C)C(C)(F)F)o1 ZINC000453299077 388038285 /nfs/dbraw/zinc/03/82/85/388038285.db2.gz UHBHOKKFZRXJIO-BDAKNGLRSA-N 1 2 231.286 3.536 20 0 BHADLO CCc1ccc([C@H](C)[NH2+][C@H](C)C(C)(F)F)o1 ZINC000453299078 388038817 /nfs/dbraw/zinc/03/88/17/388038817.db2.gz UHBHOKKFZRXJIO-DTWKUNHWSA-N 1 2 231.286 3.536 20 0 BHADLO CCc1ccc([C@H](C)[NH2+][C@@H](C)C(C)(F)F)o1 ZINC000453299079 388038875 /nfs/dbraw/zinc/03/88/75/388038875.db2.gz UHBHOKKFZRXJIO-IUCAKERBSA-N 1 2 231.286 3.536 20 0 BHADLO CCc1ccc([C@@H](C)[NH2+][C@H](C)C(C)(F)F)o1 ZINC000453299080 388038705 /nfs/dbraw/zinc/03/87/05/388038705.db2.gz UHBHOKKFZRXJIO-RKDXNWHRSA-N 1 2 231.286 3.536 20 0 BHADLO Cc1ccc(NC(=O)CCCCC(C)C)c(C)[nH+]1 ZINC000457622154 203082291 /nfs/dbraw/zinc/08/22/91/203082291.db2.gz BQCBEZMJEXIHAR-UHFFFAOYSA-N 1 2 248.370 3.853 20 0 BHADLO CSc1ccc(NC2CC3(CCC3)C2)[nH+]c1 ZINC000459427445 203279439 /nfs/dbraw/zinc/27/94/39/203279439.db2.gz FSGNFOWDCUYFSV-UHFFFAOYSA-N 1 2 234.368 3.548 20 0 BHADLO C/C(=C\c1ccc(Cl)cc1)C[NH2+]CC(F)F ZINC000459540361 206134151 /nfs/dbraw/zinc/13/41/51/206134151.db2.gz DMKVAGQAWXCVAE-RMKNXTFCSA-N 1 2 245.700 3.598 20 0 BHADLO C/C(=C/c1ccc(Cl)cc1)C[NH2+]CC(F)F ZINC000459540362 206132959 /nfs/dbraw/zinc/13/29/59/206132959.db2.gz DMKVAGQAWXCVAE-TWGQIWQCSA-N 1 2 245.700 3.598 20 0 BHADLO CC[C@@H]([NH2+]Cc1ccc(C2CC2)cc1)C(F)F ZINC000459564711 203304128 /nfs/dbraw/zinc/30/41/28/203304128.db2.gz ISYQEZZOFNSIQW-CYBMUJFWSA-N 1 2 239.309 3.697 20 0 BHADLO CC[C@H]([NH2+]Cc1ccc(C2CC2)cc1)C(F)F ZINC000459564712 203303696 /nfs/dbraw/zinc/30/36/96/203303696.db2.gz ISYQEZZOFNSIQW-ZDUSSCGKSA-N 1 2 239.309 3.697 20 0 BHADLO Cc1ccc(C[N@H+]2Cc3cccc(F)c3C2)s1 ZINC000459700004 206137273 /nfs/dbraw/zinc/13/72/73/206137273.db2.gz DBRVVKNLHORYJD-UHFFFAOYSA-N 1 2 247.338 3.711 20 0 BHADLO Cc1ccc(C[N@@H+]2Cc3cccc(F)c3C2)s1 ZINC000459700004 206137269 /nfs/dbraw/zinc/13/72/69/206137269.db2.gz DBRVVKNLHORYJD-UHFFFAOYSA-N 1 2 247.338 3.711 20 0 BHADLO Cc1cc(C[N@H+]2Cc3cccc(F)c3C2)cs1 ZINC000459714575 203338936 /nfs/dbraw/zinc/33/89/36/203338936.db2.gz OKGDYMQEFYBHNL-UHFFFAOYSA-N 1 2 247.338 3.711 20 0 BHADLO Cc1cc(C[N@@H+]2Cc3cccc(F)c3C2)cs1 ZINC000459714575 203338933 /nfs/dbraw/zinc/33/89/33/203338933.db2.gz OKGDYMQEFYBHNL-UHFFFAOYSA-N 1 2 247.338 3.711 20 0 BHADLO Cc1ccsc1C[N@H+]1Cc2cccc(F)c2C1 ZINC000459714786 203339322 /nfs/dbraw/zinc/33/93/22/203339322.db2.gz ORSCFGBPDMIHLS-UHFFFAOYSA-N 1 2 247.338 3.711 20 0 BHADLO Cc1ccsc1C[N@@H+]1Cc2cccc(F)c2C1 ZINC000459714786 203339319 /nfs/dbraw/zinc/33/93/19/203339319.db2.gz ORSCFGBPDMIHLS-UHFFFAOYSA-N 1 2 247.338 3.711 20 0 BHADLO Cc1sccc1C[N@H+]1Cc2cccc(F)c2C1 ZINC000459727592 203344702 /nfs/dbraw/zinc/34/47/02/203344702.db2.gz YXHDKFBPHFYXFI-UHFFFAOYSA-N 1 2 247.338 3.711 20 0 BHADLO Cc1sccc1C[N@@H+]1Cc2cccc(F)c2C1 ZINC000459727592 203344700 /nfs/dbraw/zinc/34/47/00/203344700.db2.gz YXHDKFBPHFYXFI-UHFFFAOYSA-N 1 2 247.338 3.711 20 0 BHADLO Cc1ccc(C[N@H+]2Cc3ccc(Cl)cc3C2)o1 ZINC000459747254 203353640 /nfs/dbraw/zinc/35/36/40/203353640.db2.gz JHQLNGGTKOHMIB-UHFFFAOYSA-N 1 2 247.725 3.757 20 0 BHADLO Cc1ccc(C[N@@H+]2Cc3ccc(Cl)cc3C2)o1 ZINC000459747254 203353637 /nfs/dbraw/zinc/35/36/37/203353637.db2.gz JHQLNGGTKOHMIB-UHFFFAOYSA-N 1 2 247.725 3.757 20 0 BHADLO CC(C)=CC[N@H+]1Cc2ccc(Cl)cc2C1 ZINC000459753758 203357270 /nfs/dbraw/zinc/35/72/70/203357270.db2.gz NUHRVPLUPFAVMQ-UHFFFAOYSA-N 1 2 221.731 3.622 20 0 BHADLO CC(C)=CC[N@@H+]1Cc2ccc(Cl)cc2C1 ZINC000459753758 203357267 /nfs/dbraw/zinc/35/72/67/203357267.db2.gz NUHRVPLUPFAVMQ-UHFFFAOYSA-N 1 2 221.731 3.622 20 0 BHADLO Cc1ccoc1C[N@H+]1Cc2ccc(Cl)cc2C1 ZINC000459766629 203359782 /nfs/dbraw/zinc/35/97/82/203359782.db2.gz WJPJNEOJJRKMFY-UHFFFAOYSA-N 1 2 247.725 3.757 20 0 BHADLO Cc1ccoc1C[N@@H+]1Cc2ccc(Cl)cc2C1 ZINC000459766629 203359780 /nfs/dbraw/zinc/35/97/80/203359780.db2.gz WJPJNEOJJRKMFY-UHFFFAOYSA-N 1 2 247.725 3.757 20 0 BHADLO Cc1cc(C)c(NC(=O)CCCC(C)C)c(C)[nH+]1 ZINC000459936531 203378031 /nfs/dbraw/zinc/37/80/31/203378031.db2.gz VOJHCTLYWDPOTI-UHFFFAOYSA-N 1 2 248.370 3.772 20 0 BHADLO Cc1ccc(CNc2[nH+]ccc(C)c2Cl)cc1 ZINC000460407190 384737306 /nfs/dbraw/zinc/73/73/06/384737306.db2.gz UWQYSPMVRPIQBO-UHFFFAOYSA-N 1 2 246.741 3.964 20 0 BHADLO Cc1ccccc1CNc1[nH+]ccc(C)c1Cl ZINC000460407377 384734908 /nfs/dbraw/zinc/73/49/08/384734908.db2.gz FERBJMLXEAKZNE-UHFFFAOYSA-N 1 2 246.741 3.964 20 0 BHADLO CSCCOc1cc(C)[nH+]c2c(C)cccc12 ZINC000460658103 385151242 /nfs/dbraw/zinc/15/12/42/385151242.db2.gz SEBANRCINMQJLS-UHFFFAOYSA-N 1 2 247.363 3.593 20 0 BHADLO Cc1cc(CCNc2cccc[nH+]2)ccc1Cl ZINC000461864501 388262039 /nfs/dbraw/zinc/26/20/39/388262039.db2.gz DLVXIARODIBYFJ-UHFFFAOYSA-N 1 2 246.741 3.698 20 0 BHADLO Cc1ccc2[nH+]c(CS[C@H](C)C(C)C)cn2c1 ZINC000463218263 388089749 /nfs/dbraw/zinc/08/97/49/388089749.db2.gz JDVZVQAZOJMYNV-GFCCVEGCSA-N 1 2 248.395 3.920 20 0 BHADLO Cc1ccc2[nH+]c(CS[C@@H](C)C(C)C)cn2c1 ZINC000463218264 388089901 /nfs/dbraw/zinc/08/99/01/388089901.db2.gz JDVZVQAZOJMYNV-LBPRGKRZSA-N 1 2 248.395 3.920 20 0 BHADLO Cc1cccn2cc(CS[C@H](C)C(C)C)[nH+]c12 ZINC000463225553 388089932 /nfs/dbraw/zinc/08/99/32/388089932.db2.gz ZVYYAWNATJKVBI-GFCCVEGCSA-N 1 2 248.395 3.920 20 0 BHADLO Cc1cccn2cc(CS[C@@H](C)C(C)C)[nH+]c12 ZINC000463225554 224956909 /nfs/dbraw/zinc/95/69/09/224956909.db2.gz ZVYYAWNATJKVBI-LBPRGKRZSA-N 1 2 248.395 3.920 20 0 BHADLO Cc1[nH+]c2ccccn2c1CS[C@H](C)C(C)C ZINC000463233606 224956738 /nfs/dbraw/zinc/95/67/38/224956738.db2.gz CVRITSUIBKJPMK-GFCCVEGCSA-N 1 2 248.395 3.920 20 0 BHADLO Cc1[nH+]c2ccccn2c1CS[C@@H](C)C(C)C ZINC000463233607 388089631 /nfs/dbraw/zinc/08/96/31/388089631.db2.gz CVRITSUIBKJPMK-LBPRGKRZSA-N 1 2 248.395 3.920 20 0 BHADLO CCCCC[N@H+]1CCn2c(cc3ccccc32)C1 ZINC000463345592 388091724 /nfs/dbraw/zinc/09/17/24/388091724.db2.gz NYBGTUHJKYHYHH-UHFFFAOYSA-N 1 2 242.366 3.647 20 0 BHADLO CCCCC[N@@H+]1CCn2c(cc3ccccc32)C1 ZINC000463345592 388091722 /nfs/dbraw/zinc/09/17/22/388091722.db2.gz NYBGTUHJKYHYHH-UHFFFAOYSA-N 1 2 242.366 3.647 20 0 BHADLO CC[C@@H](C)CSCc1cn2ccccc2[nH+]1 ZINC000464799466 388105031 /nfs/dbraw/zinc/10/50/31/388105031.db2.gz ZPIYUBFFEQAWEB-LLVKDONJSA-N 1 2 234.368 3.614 20 0 BHADLO CC[C@H](C)CSCc1cn2ccccc2[nH+]1 ZINC000464799467 388104727 /nfs/dbraw/zinc/10/47/27/388104727.db2.gz ZPIYUBFFEQAWEB-NSHDSACASA-N 1 2 234.368 3.614 20 0 BHADLO CC[C@@H](C)CSCc1c(C)[nH+]c2ccccn21 ZINC000464803587 388104931 /nfs/dbraw/zinc/10/49/31/388104931.db2.gz ZQCOREBAQSUYRV-LLVKDONJSA-N 1 2 248.395 3.922 20 0 BHADLO CC[C@H](C)CSCc1c(C)[nH+]c2ccccn21 ZINC000464803588 388104659 /nfs/dbraw/zinc/10/46/59/388104659.db2.gz ZQCOREBAQSUYRV-NSHDSACASA-N 1 2 248.395 3.922 20 0 BHADLO CC(C)CCSCc1cn2ccccc2[nH+]1 ZINC000465454808 388113006 /nfs/dbraw/zinc/11/30/06/388113006.db2.gz VAIPLRQTQOHCJK-UHFFFAOYSA-N 1 2 234.368 3.614 20 0 BHADLO CCC[C@@H]1CCCN(c2cc[nH+]c(C(C)C)n2)C1 ZINC000466831063 527751811 /nfs/dbraw/zinc/75/18/11/527751811.db2.gz JZINLYGIKODEOQ-CYBMUJFWSA-N 1 2 247.386 3.617 20 0 BHADLO CCC[C@H]1CCCN(c2cc[nH+]c(C(C)C)n2)C1 ZINC000466831064 528376943 /nfs/dbraw/zinc/37/69/43/528376943.db2.gz JZINLYGIKODEOQ-ZDUSSCGKSA-N 1 2 247.386 3.617 20 0 BHADLO CC/C=C\CCSCc1cn2ccccc2[nH+]1 ZINC000467302550 528791718 /nfs/dbraw/zinc/79/17/18/528791718.db2.gz IBTNFQDAGXHLKS-ARJAWSKDSA-N 1 2 246.379 3.924 20 0 BHADLO CC/C=C/CCSCc1cn2ccccc2[nH+]1 ZINC000467302551 528775425 /nfs/dbraw/zinc/77/54/25/528775425.db2.gz IBTNFQDAGXHLKS-ONEGZZNKSA-N 1 2 246.379 3.924 20 0 BHADLO CC[N@H+](Cc1ccc(Cl)cc1C)CC(F)F ZINC000468489421 528783150 /nfs/dbraw/zinc/78/31/50/528783150.db2.gz WJMXJAXBQAHECR-UHFFFAOYSA-N 1 2 247.716 3.735 20 0 BHADLO CC[N@@H+](Cc1ccc(Cl)cc1C)CC(F)F ZINC000468489421 528783144 /nfs/dbraw/zinc/78/31/44/528783144.db2.gz WJMXJAXBQAHECR-UHFFFAOYSA-N 1 2 247.716 3.735 20 0 BHADLO CC[C@H]([NH2+][C@H]1CCC[C@H](C2CC2)C1)C(F)(F)F ZINC000468921853 529670859 /nfs/dbraw/zinc/67/08/59/529670859.db2.gz ISYXEJSELILKMH-SRVKXCTJSA-N 1 2 249.320 3.886 20 0 BHADLO CC[C@H]([NH2+][C@@H]1CCC[C@H](C2CC2)C1)C(F)(F)F ZINC000468922053 529657626 /nfs/dbraw/zinc/65/76/26/529657626.db2.gz ISYXEJSELILKMH-TUAOUCFPSA-N 1 2 249.320 3.886 20 0 BHADLO CC[C@H]([NH2+][C@@H]1CCC[C@@H](C2CC2)C1)C(F)(F)F ZINC000468922233 529657821 /nfs/dbraw/zinc/65/78/21/529657821.db2.gz ISYXEJSELILKMH-UTUOFQBUSA-N 1 2 249.320 3.886 20 0 BHADLO CC[C@H]([NH2+][C@H]1CCC[C@@H](C2CC2)C1)C(F)(F)F ZINC000468922383 529670387 /nfs/dbraw/zinc/67/03/87/529670387.db2.gz ISYXEJSELILKMH-WOPDTQHZSA-N 1 2 249.320 3.886 20 0 BHADLO CC[N@@H+](CCC(C)(C)OC)c1cccc(C)c1 ZINC000469708868 528405979 /nfs/dbraw/zinc/40/59/79/528405979.db2.gz ARJISUPPACBLKT-UHFFFAOYSA-N 1 2 235.371 3.636 20 0 BHADLO CC[N@H+](CCC(C)(C)OC)c1cccc(C)c1 ZINC000469708868 528405971 /nfs/dbraw/zinc/40/59/71/528405971.db2.gz ARJISUPPACBLKT-UHFFFAOYSA-N 1 2 235.371 3.636 20 0 BHADLO CC[N@@H+](CCC(C)(C)OC)c1ccccc1C ZINC000469712644 528406552 /nfs/dbraw/zinc/40/65/52/528406552.db2.gz JRTBRYRNFPIOMO-UHFFFAOYSA-N 1 2 235.371 3.636 20 0 BHADLO CC[N@H+](CCC(C)(C)OC)c1ccccc1C ZINC000469712644 528406548 /nfs/dbraw/zinc/40/65/48/528406548.db2.gz JRTBRYRNFPIOMO-UHFFFAOYSA-N 1 2 235.371 3.636 20 0 BHADLO COC(C)(C)CC[N@@H+](CC1CC1)c1ccccc1 ZINC000469717225 532949931 /nfs/dbraw/zinc/94/99/31/532949931.db2.gz KCJMZXDDSNPNDV-UHFFFAOYSA-N 1 2 247.382 3.718 20 0 BHADLO COC(C)(C)CC[N@H+](CC1CC1)c1ccccc1 ZINC000469717225 532949929 /nfs/dbraw/zinc/94/99/29/532949929.db2.gz KCJMZXDDSNPNDV-UHFFFAOYSA-N 1 2 247.382 3.718 20 0 BHADLO CCc1cccc(C[N@@H+](CC(F)F)C(C)C)c1 ZINC000469728057 529168151 /nfs/dbraw/zinc/16/81/51/529168151.db2.gz HKEBEAKULJCPIB-UHFFFAOYSA-N 1 2 241.325 3.725 20 0 BHADLO CCc1cccc(C[N@H+](CC(F)F)C(C)C)c1 ZINC000469728057 529168148 /nfs/dbraw/zinc/16/81/48/529168148.db2.gz HKEBEAKULJCPIB-UHFFFAOYSA-N 1 2 241.325 3.725 20 0 BHADLO CC(C)c1ccc(CC[N@@H+](C)CC(F)F)cc1 ZINC000469895596 528088360 /nfs/dbraw/zinc/08/83/60/528088360.db2.gz COKLEEFGQUESNI-UHFFFAOYSA-N 1 2 241.325 3.549 20 0 BHADLO CC(C)c1ccc(CC[N@H+](C)CC(F)F)cc1 ZINC000469895596 528088358 /nfs/dbraw/zinc/08/83/58/528088358.db2.gz COKLEEFGQUESNI-UHFFFAOYSA-N 1 2 241.325 3.549 20 0 BHADLO C[C@H](CNc1cccc[nH+]1)c1cccc(Cl)c1 ZINC000470194797 225054848 /nfs/dbraw/zinc/05/48/48/225054848.db2.gz MFLSUCNSYKRLPD-LLVKDONJSA-N 1 2 246.741 3.951 20 0 BHADLO C[C@@H](CNc1cccc[nH+]1)c1cccc(Cl)c1 ZINC000470194798 225055307 /nfs/dbraw/zinc/05/53/07/225055307.db2.gz MFLSUCNSYKRLPD-NSHDSACASA-N 1 2 246.741 3.951 20 0 BHADLO COCCCCC[N@@H+](CC1CC1)c1ccccc1 ZINC000470206131 225055665 /nfs/dbraw/zinc/05/56/65/225055665.db2.gz IBZJLIHPKRRGHX-UHFFFAOYSA-N 1 2 247.382 3.720 20 0 BHADLO COCCCCC[N@H+](CC1CC1)c1ccccc1 ZINC000470206131 225055661 /nfs/dbraw/zinc/05/56/61/225055661.db2.gz IBZJLIHPKRRGHX-UHFFFAOYSA-N 1 2 247.382 3.720 20 0 BHADLO CC[C@@H]1C[C@H](C[N@@H+](CC)c2ccccc2)CCO1 ZINC000470216060 529441828 /nfs/dbraw/zinc/44/18/28/529441828.db2.gz ZSVMNUXJCBHFPO-GDBMZVCRSA-N 1 2 247.382 3.718 20 0 BHADLO CC[C@@H]1C[C@H](C[N@H+](CC)c2ccccc2)CCO1 ZINC000470216060 529441827 /nfs/dbraw/zinc/44/18/27/529441827.db2.gz ZSVMNUXJCBHFPO-GDBMZVCRSA-N 1 2 247.382 3.718 20 0 BHADLO CC[C@@H]1C[C@@H](C[N@@H+](CC)c2ccccc2)CCO1 ZINC000470216061 529425512 /nfs/dbraw/zinc/42/55/12/529425512.db2.gz ZSVMNUXJCBHFPO-GOEBONIOSA-N 1 2 247.382 3.718 20 0 BHADLO CC[C@@H]1C[C@@H](C[N@H+](CC)c2ccccc2)CCO1 ZINC000470216061 529425509 /nfs/dbraw/zinc/42/55/09/529425509.db2.gz ZSVMNUXJCBHFPO-GOEBONIOSA-N 1 2 247.382 3.718 20 0 BHADLO CC[C@H]1C[C@@H](C[N@@H+](CC)c2ccccc2)CCO1 ZINC000470216062 529317564 /nfs/dbraw/zinc/31/75/64/529317564.db2.gz ZSVMNUXJCBHFPO-HOCLYGCPSA-N 1 2 247.382 3.718 20 0 BHADLO CC[C@H]1C[C@@H](C[N@H+](CC)c2ccccc2)CCO1 ZINC000470216062 529317562 /nfs/dbraw/zinc/31/75/62/529317562.db2.gz ZSVMNUXJCBHFPO-HOCLYGCPSA-N 1 2 247.382 3.718 20 0 BHADLO CC[C@H]1C[C@H](C[N@@H+](CC)c2ccccc2)CCO1 ZINC000470216063 529326266 /nfs/dbraw/zinc/32/62/66/529326266.db2.gz ZSVMNUXJCBHFPO-ZBFHGGJFSA-N 1 2 247.382 3.718 20 0 BHADLO CC[C@H]1C[C@H](C[N@H+](CC)c2ccccc2)CCO1 ZINC000470216063 529326265 /nfs/dbraw/zinc/32/62/65/529326265.db2.gz ZSVMNUXJCBHFPO-ZBFHGGJFSA-N 1 2 247.382 3.718 20 0 BHADLO COCCCCC[N@H+]1CCCCc2ccccc21 ZINC000470217092 225055328 /nfs/dbraw/zinc/05/53/28/225055328.db2.gz DIEUVFHHBXUPAC-UHFFFAOYSA-N 1 2 247.382 3.646 20 0 BHADLO COCCCCC[N@@H+]1CCCCc2ccccc21 ZINC000470217092 225055323 /nfs/dbraw/zinc/05/53/23/225055323.db2.gz DIEUVFHHBXUPAC-UHFFFAOYSA-N 1 2 247.382 3.646 20 0 BHADLO CC[N@@H+](CCCC1CCOCC1)c1ccccc1 ZINC000470217161 528430993 /nfs/dbraw/zinc/43/09/93/528430993.db2.gz FAWVPUHOYZVMEW-UHFFFAOYSA-N 1 2 247.382 3.720 20 0 BHADLO CC[N@H+](CCCC1CCOCC1)c1ccccc1 ZINC000470217161 528430986 /nfs/dbraw/zinc/43/09/86/528430986.db2.gz FAWVPUHOYZVMEW-UHFFFAOYSA-N 1 2 247.382 3.720 20 0 BHADLO CC[C@H]([NH2+]C[C@H]1C(C)=CCC[C@@H]1C)C(F)(F)F ZINC000470252156 529620443 /nfs/dbraw/zinc/62/04/43/529620443.db2.gz MBFRZGITXYZZRU-SRVKXCTJSA-N 1 2 249.320 3.909 20 0 BHADLO CC[C@H]([NH2+]C[C@@H]1C(C)=CCC[C@@H]1C)C(F)(F)F ZINC000470252157 529613088 /nfs/dbraw/zinc/61/30/88/529613088.db2.gz MBFRZGITXYZZRU-TUAOUCFPSA-N 1 2 249.320 3.909 20 0 BHADLO CC[C@H]([NH2+]C[C@@H]1C(C)=CCC[C@H]1C)C(F)(F)F ZINC000470252158 529612972 /nfs/dbraw/zinc/61/29/72/529612972.db2.gz MBFRZGITXYZZRU-UTUOFQBUSA-N 1 2 249.320 3.909 20 0 BHADLO CC[C@H]([NH2+]C[C@H]1C(C)=CCC[C@H]1C)C(F)(F)F ZINC000470252159 529620683 /nfs/dbraw/zinc/62/06/83/529620683.db2.gz MBFRZGITXYZZRU-WOPDTQHZSA-N 1 2 249.320 3.909 20 0 BHADLO Cc1cc(N2C[C@H](C)CC2(C)C)nc(C(C)C)[nH+]1 ZINC000471059910 225063340 /nfs/dbraw/zinc/06/33/40/225063340.db2.gz UBKXYXHFPSCKKY-LLVKDONJSA-N 1 2 247.386 3.533 20 0 BHADLO Cc1cc(N2C[C@@H](C)CC2(C)C)nc(C(C)C)[nH+]1 ZINC000471059911 533915205 /nfs/dbraw/zinc/91/52/05/533915205.db2.gz UBKXYXHFPSCKKY-NSHDSACASA-N 1 2 247.386 3.533 20 0 BHADLO CC[C@H]1C[C@H](C)CN1c1cc(C)[nH+]c(C(C)C)n1 ZINC000471066547 529325960 /nfs/dbraw/zinc/32/59/60/529325960.db2.gz QIBMVJYSJSGTOM-AAEUAGOBSA-N 1 2 247.386 3.533 20 0 BHADLO CC[C@@H]1C[C@@H](C)CN1c1cc(C)[nH+]c(C(C)C)n1 ZINC000471066548 529423373 /nfs/dbraw/zinc/42/33/73/529423373.db2.gz QIBMVJYSJSGTOM-DGCLKSJQSA-N 1 2 247.386 3.533 20 0 BHADLO CC[C@@H]1C[C@H](C)CN1c1cc(C)[nH+]c(C(C)C)n1 ZINC000471066549 529439974 /nfs/dbraw/zinc/43/99/74/529439974.db2.gz QIBMVJYSJSGTOM-WCQYABFASA-N 1 2 247.386 3.533 20 0 BHADLO CC[C@H]1C[C@@H](C)CN1c1cc(C)[nH+]c(C(C)C)n1 ZINC000471066550 529316328 /nfs/dbraw/zinc/31/63/28/529316328.db2.gz QIBMVJYSJSGTOM-YPMHNXCESA-N 1 2 247.386 3.533 20 0 BHADLO Cc1ccc(Nc2nc(C)[nH+]c(C)c2C)cc1C ZINC000471248420 225064502 /nfs/dbraw/zinc/06/45/02/225064502.db2.gz DUAVPMZNDOQAAP-UHFFFAOYSA-N 1 2 241.338 3.762 20 0 BHADLO CCc1ccc(Nc2nc(C)[nH+]c(C)c2C)cc1 ZINC000471249319 529690060 /nfs/dbraw/zinc/69/00/60/529690060.db2.gz HLQNQDGAVRFDMR-UHFFFAOYSA-N 1 2 241.338 3.708 20 0 BHADLO Cc1cc(C)cc(Nc2nc(C)[nH+]c(C)c2C)c1 ZINC000471250843 225065321 /nfs/dbraw/zinc/06/53/21/225065321.db2.gz MIYGDRBBOIUDIP-UHFFFAOYSA-N 1 2 241.338 3.762 20 0 BHADLO Cc1nc(N2CCCC[C@H]2CCC(C)C)cc[nH+]1 ZINC000471702095 225073716 /nfs/dbraw/zinc/07/37/16/225073716.db2.gz LXVJXTZXAXBYIT-AWEZNQCLSA-N 1 2 247.386 3.580 20 0 BHADLO Cc1nc(N2CCCC[C@@H]2CCC(C)C)cc[nH+]1 ZINC000471702096 225073337 /nfs/dbraw/zinc/07/33/37/225073337.db2.gz LXVJXTZXAXBYIT-CQSZACIVSA-N 1 2 247.386 3.580 20 0 BHADLO CCc1cccc(Cl)c1CNc1cccc[nH+]1 ZINC000473484371 529172713 /nfs/dbraw/zinc/17/27/13/529172713.db2.gz YATDTEUCPQHFKJ-UHFFFAOYSA-N 1 2 246.741 3.910 20 0 BHADLO CC(C)[C@H]([NH2+][C@@H]1CCC12CCCC2)C(F)(F)F ZINC000474051629 529125471 /nfs/dbraw/zinc/12/54/71/529125471.db2.gz CFIJQEANTPRISV-MNOVXSKESA-N 1 2 249.320 3.886 20 0 BHADLO CC(C)[C@H]([NH2+][C@H]1CCC12CCCC2)C(F)(F)F ZINC000474051631 529126615 /nfs/dbraw/zinc/12/66/15/529126615.db2.gz CFIJQEANTPRISV-QWRGUYRKSA-N 1 2 249.320 3.886 20 0 BHADLO CC(C)[C@@H](C[N@@H+](C)CC(F)F)c1ccccc1 ZINC000474143387 528437686 /nfs/dbraw/zinc/43/76/86/528437686.db2.gz STWBMZVPGXUOJP-CYBMUJFWSA-N 1 2 241.325 3.623 20 0 BHADLO CC(C)[C@@H](C[N@H+](C)CC(F)F)c1ccccc1 ZINC000474143387 528437683 /nfs/dbraw/zinc/43/76/83/528437683.db2.gz STWBMZVPGXUOJP-CYBMUJFWSA-N 1 2 241.325 3.623 20 0 BHADLO CC(C)[C@H](C[N@@H+](C)CC(F)F)c1ccccc1 ZINC000474143388 528989879 /nfs/dbraw/zinc/98/98/79/528989879.db2.gz STWBMZVPGXUOJP-ZDUSSCGKSA-N 1 2 241.325 3.623 20 0 BHADLO CC(C)[C@H](C[N@H+](C)CC(F)F)c1ccccc1 ZINC000474143388 528989875 /nfs/dbraw/zinc/98/98/75/528989875.db2.gz STWBMZVPGXUOJP-ZDUSSCGKSA-N 1 2 241.325 3.623 20 0 BHADLO CCc1cccc(F)c1CNc1c[nH+]cc(C)c1 ZINC000474897899 529175070 /nfs/dbraw/zinc/17/50/70/529175070.db2.gz VKHMXWVUQAJCDU-UHFFFAOYSA-N 1 2 244.313 3.704 20 0 BHADLO Cc1ccc(C)c([N@@H+](CCC[C@H](C)O)C(C)C)c1 ZINC000475026015 533672576 /nfs/dbraw/zinc/67/25/76/533672576.db2.gz KFLOIOXGSOVWEV-HNNXBMFYSA-N 1 2 249.398 3.679 20 0 BHADLO Cc1ccc(C)c([N@H+](CCC[C@H](C)O)C(C)C)c1 ZINC000475026015 533672573 /nfs/dbraw/zinc/67/25/73/533672573.db2.gz KFLOIOXGSOVWEV-HNNXBMFYSA-N 1 2 249.398 3.679 20 0 BHADLO Cc1ccc(C)c([N@@H+](CCC[C@@H](C)O)C(C)C)c1 ZINC000475026016 533671531 /nfs/dbraw/zinc/67/15/31/533671531.db2.gz KFLOIOXGSOVWEV-OAHLLOKOSA-N 1 2 249.398 3.679 20 0 BHADLO Cc1ccc(C)c([N@H+](CCC[C@@H](C)O)C(C)C)c1 ZINC000475026016 533671513 /nfs/dbraw/zinc/67/15/13/533671513.db2.gz KFLOIOXGSOVWEV-OAHLLOKOSA-N 1 2 249.398 3.679 20 0 BHADLO C[C@H](O)CCC[N@H+](c1ccccc1)C1CCCC1 ZINC000475029493 225125752 /nfs/dbraw/zinc/12/57/52/225125752.db2.gz IVFJIKXEZKTXMQ-AWEZNQCLSA-N 1 2 247.382 3.597 20 0 BHADLO C[C@H](O)CCC[N@@H+](c1ccccc1)C1CCCC1 ZINC000475029493 225125749 /nfs/dbraw/zinc/12/57/49/225125749.db2.gz IVFJIKXEZKTXMQ-AWEZNQCLSA-N 1 2 247.382 3.597 20 0 BHADLO C[C@@H](O)CCC[N@H+](c1ccccc1)C1CCCC1 ZINC000475029495 225125316 /nfs/dbraw/zinc/12/53/16/225125316.db2.gz IVFJIKXEZKTXMQ-CQSZACIVSA-N 1 2 247.382 3.597 20 0 BHADLO C[C@@H](O)CCC[N@@H+](c1ccccc1)C1CCCC1 ZINC000475029495 225125313 /nfs/dbraw/zinc/12/53/13/225125313.db2.gz IVFJIKXEZKTXMQ-CQSZACIVSA-N 1 2 247.382 3.597 20 0 BHADLO CC[N@@H+](C[C@H]1CCO[C@H](C)C1)c1ccccc1C ZINC000475116058 528753230 /nfs/dbraw/zinc/75/32/30/528753230.db2.gz DTCCEUNTLNPECF-CABCVRRESA-N 1 2 247.382 3.636 20 0 BHADLO CC[N@H+](C[C@H]1CCO[C@H](C)C1)c1ccccc1C ZINC000475116058 528753225 /nfs/dbraw/zinc/75/32/25/528753225.db2.gz DTCCEUNTLNPECF-CABCVRRESA-N 1 2 247.382 3.636 20 0 BHADLO CC[N@@H+](C[C@H]1CCO[C@@H](C)C1)c1ccccc1C ZINC000475116059 528751984 /nfs/dbraw/zinc/75/19/84/528751984.db2.gz DTCCEUNTLNPECF-GJZGRUSLSA-N 1 2 247.382 3.636 20 0 BHADLO CC[N@H+](C[C@H]1CCO[C@@H](C)C1)c1ccccc1C ZINC000475116059 528751979 /nfs/dbraw/zinc/75/19/79/528751979.db2.gz DTCCEUNTLNPECF-GJZGRUSLSA-N 1 2 247.382 3.636 20 0 BHADLO CC[N@@H+](C[C@@H]1CCO[C@H](C)C1)c1ccccc1C ZINC000475116062 528682589 /nfs/dbraw/zinc/68/25/89/528682589.db2.gz DTCCEUNTLNPECF-HUUCEWRRSA-N 1 2 247.382 3.636 20 0 BHADLO CC[N@H+](C[C@@H]1CCO[C@H](C)C1)c1ccccc1C ZINC000475116062 528682582 /nfs/dbraw/zinc/68/25/82/528682582.db2.gz DTCCEUNTLNPECF-HUUCEWRRSA-N 1 2 247.382 3.636 20 0 BHADLO CC[N@@H+](C[C@@H]1CCO[C@@H](C)C1)c1ccccc1C ZINC000475116064 528683020 /nfs/dbraw/zinc/68/30/20/528683020.db2.gz DTCCEUNTLNPECF-LSDHHAIUSA-N 1 2 247.382 3.636 20 0 BHADLO CC[N@H+](C[C@@H]1CCO[C@@H](C)C1)c1ccccc1C ZINC000475116064 528683012 /nfs/dbraw/zinc/68/30/12/528683012.db2.gz DTCCEUNTLNPECF-LSDHHAIUSA-N 1 2 247.382 3.636 20 0 BHADLO CC(C)c1cccc(CNc2cccc[nH+]2)c1 ZINC000475732774 528172515 /nfs/dbraw/zinc/17/25/15/528172515.db2.gz IFEIWMLOIKPMEC-UHFFFAOYSA-N 1 2 226.323 3.817 20 0 BHADLO Clc1ccc(CCCOc2cc[nH+]cc2)cc1 ZINC000476038849 225145066 /nfs/dbraw/zinc/14/50/66/225145066.db2.gz CYNZABVCIGBKHT-UHFFFAOYSA-N 1 2 247.725 3.747 20 0 BHADLO CCCc1cccc(CNc2cccc[nH+]2)c1 ZINC000478628444 528638745 /nfs/dbraw/zinc/63/87/45/528638745.db2.gz WXNWFTCGWWBIOD-UHFFFAOYSA-N 1 2 226.323 3.646 20 0 BHADLO Cc1ccc(C)c(OCc2ccc(C)[nH+]c2C)c1 ZINC000478919455 533701267 /nfs/dbraw/zinc/70/12/67/533701267.db2.gz AKPSVIXBCJNKSC-UHFFFAOYSA-N 1 2 241.334 3.894 20 0 BHADLO Cc1ccc(COc2ccc(C)c(C)c2)c(C)[nH+]1 ZINC000478919768 225173547 /nfs/dbraw/zinc/17/35/47/225173547.db2.gz BYZQPKOHGOQGOC-UHFFFAOYSA-N 1 2 241.334 3.894 20 0 BHADLO Cc1cc(C)cc(OCc2ccc(C)[nH+]c2C)c1 ZINC000478919771 534084748 /nfs/dbraw/zinc/08/47/48/534084748.db2.gz BZTGKSMMCMWNMD-UHFFFAOYSA-N 1 2 241.334 3.894 20 0 BHADLO Cc1cccn2cc(CSCCC3CC3)[nH+]c12 ZINC000478924349 225172910 /nfs/dbraw/zinc/17/29/10/225172910.db2.gz QTWSJROJZUZCCU-UHFFFAOYSA-N 1 2 246.379 3.676 20 0 BHADLO Cc1ccc(COc2cccc(C)c2C)c(C)[nH+]1 ZINC000478931249 225174084 /nfs/dbraw/zinc/17/40/84/225174084.db2.gz VGNZSDULGDWGRK-UHFFFAOYSA-N 1 2 241.334 3.894 20 0 BHADLO CCc1ccc(OCc2ccc(C)[nH+]c2C)cc1 ZINC000478933833 529695393 /nfs/dbraw/zinc/69/53/93/529695393.db2.gz ZEYFCTOKLCJRFJ-UHFFFAOYSA-N 1 2 241.334 3.840 20 0 BHADLO CCc1cccc(OCc2ccc(C)[nH+]c2C)c1 ZINC000478938815 529545282 /nfs/dbraw/zinc/54/52/82/529545282.db2.gz QAJBTDXATQMGQB-UHFFFAOYSA-N 1 2 241.334 3.840 20 0 BHADLO Cc1ccc(COc2c(C)cccc2C)c(C)[nH+]1 ZINC000478940449 225174895 /nfs/dbraw/zinc/17/48/95/225174895.db2.gz UZAGGVQJESUNKD-UHFFFAOYSA-N 1 2 241.334 3.894 20 0 BHADLO Cc1ccc(OCc2ccc(C)[nH+]c2C)c(C)c1 ZINC000478944256 225173836 /nfs/dbraw/zinc/17/38/36/225173836.db2.gz NGWIIZRQFPDOOH-UHFFFAOYSA-N 1 2 241.334 3.894 20 0 BHADLO CCC[C@@H](CC)Sc1[nH+]cnc2[nH]ccc21 ZINC000480848195 528926503 /nfs/dbraw/zinc/92/65/03/528926503.db2.gz WVVDPNJLFASQAB-SECBINFHSA-N 1 2 235.356 3.629 20 0 BHADLO CCC[C@H](CC)Sc1[nH+]cnc2[nH]ccc21 ZINC000480848211 528110896 /nfs/dbraw/zinc/11/08/96/528110896.db2.gz WVVDPNJLFASQAB-VIFPVBQESA-N 1 2 235.356 3.629 20 0 BHADLO CCC[C@H](C)Sc1[nH+]cc2ccccn21 ZINC000481063222 528068045 /nfs/dbraw/zinc/06/80/45/528068045.db2.gz SLHREBKWOOKZLV-JTQLQIEISA-N 1 2 220.341 3.615 20 0 BHADLO CCC[C@@H](C)Sc1[nH+]cc2ccccn21 ZINC000481063223 528900166 /nfs/dbraw/zinc/90/01/66/528900166.db2.gz SLHREBKWOOKZLV-SNVBAGLBSA-N 1 2 220.341 3.615 20 0 BHADLO Cc1cc(NC2CCC2)c2cccc(F)c2[nH+]1 ZINC000481970038 225220120 /nfs/dbraw/zinc/22/01/20/225220120.db2.gz OTKUBATUHAGXCX-UHFFFAOYSA-N 1 2 230.286 3.647 20 0 BHADLO Cc1cc(N2CCC[C@H]2C)c2cccc(F)c2[nH+]1 ZINC000481983791 225220309 /nfs/dbraw/zinc/22/03/09/225220309.db2.gz LLIQNPGJNWBYCJ-LLVKDONJSA-N 1 2 244.313 3.671 20 0 BHADLO Cc1cc(N2CCC[C@@H]2C)c2cccc(F)c2[nH+]1 ZINC000481983792 225220942 /nfs/dbraw/zinc/22/09/42/225220942.db2.gz LLIQNPGJNWBYCJ-NSHDSACASA-N 1 2 244.313 3.671 20 0 BHADLO Cc1c[nH+]cc(NC[C@H](C)Cc2ccccc2)c1 ZINC000482034804 225221197 /nfs/dbraw/zinc/22/11/97/225221197.db2.gz SCIKXEDTYQINNZ-CYBMUJFWSA-N 1 2 240.350 3.681 20 0 BHADLO Cc1c[nH+]cc(NC[C@@H](C)Cc2ccccc2)c1 ZINC000482034810 225221740 /nfs/dbraw/zinc/22/17/40/225221740.db2.gz SCIKXEDTYQINNZ-ZDUSSCGKSA-N 1 2 240.350 3.681 20 0 BHADLO FC(F)C[N@@H+](CCC1CCCCC1)C1CC1 ZINC000483277276 225238110 /nfs/dbraw/zinc/23/81/10/225238110.db2.gz CWCRTQGBROUTFH-UHFFFAOYSA-N 1 2 231.330 3.686 20 0 BHADLO FC(F)C[N@H+](CCC1CCCCC1)C1CC1 ZINC000483277276 225238107 /nfs/dbraw/zinc/23/81/07/225238107.db2.gz CWCRTQGBROUTFH-UHFFFAOYSA-N 1 2 231.330 3.686 20 0 BHADLO FC(F)C[N@@H+](CCCC1CCCC1)C1CC1 ZINC000483379612 225240807 /nfs/dbraw/zinc/24/08/07/225240807.db2.gz GAENOYYEJSGWIH-UHFFFAOYSA-N 1 2 231.330 3.686 20 0 BHADLO FC(F)C[N@H+](CCCC1CCCC1)C1CC1 ZINC000483379612 225240805 /nfs/dbraw/zinc/24/08/05/225240805.db2.gz GAENOYYEJSGWIH-UHFFFAOYSA-N 1 2 231.330 3.686 20 0 BHADLO Cc1ccc2ccccc2c1C[N@@H+](C)CC(F)F ZINC000483392303 534485944 /nfs/dbraw/zinc/48/59/44/534485944.db2.gz KDXSKKZTTZTLIU-UHFFFAOYSA-N 1 2 249.304 3.845 20 0 BHADLO Cc1ccc2ccccc2c1C[N@H+](C)CC(F)F ZINC000483392303 534485936 /nfs/dbraw/zinc/48/59/36/534485936.db2.gz KDXSKKZTTZTLIU-UHFFFAOYSA-N 1 2 249.304 3.845 20 0 BHADLO FC(F)C[NH2+]Cc1cccc(-c2ccccc2)c1 ZINC000485287522 225252286 /nfs/dbraw/zinc/25/22/86/225252286.db2.gz FBDCHJIJEVNISP-UHFFFAOYSA-N 1 2 247.288 3.708 20 0 BHADLO Cc1c2ccccc2[nH+]c2c1CC1(CC1)CC2 ZINC000485745932 225259144 /nfs/dbraw/zinc/25/91/44/225259144.db2.gz BLJGELTYEWYARL-UHFFFAOYSA-N 1 2 223.319 3.812 20 0 BHADLO CC(C)(C)C[N@@H+](CCC(C)(C)O)c1ccccc1 ZINC000485795520 527682413 /nfs/dbraw/zinc/68/24/13/527682413.db2.gz HCWSPAJJGIFNJL-UHFFFAOYSA-N 1 2 249.398 3.700 20 0 BHADLO CC(C)(C)C[N@H+](CCC(C)(C)O)c1ccccc1 ZINC000485795520 527682409 /nfs/dbraw/zinc/68/24/09/527682409.db2.gz HCWSPAJJGIFNJL-UHFFFAOYSA-N 1 2 249.398 3.700 20 0 BHADLO CC(C)(C)C[N@@H+](C[C@@H]1CCOC1)c1ccccc1 ZINC000485809829 527683119 /nfs/dbraw/zinc/68/31/19/527683119.db2.gz FJEYJZLCHUEAAK-AWEZNQCLSA-N 1 2 247.382 3.576 20 0 BHADLO CC(C)(C)C[N@H+](C[C@@H]1CCOC1)c1ccccc1 ZINC000485809829 527683117 /nfs/dbraw/zinc/68/31/17/527683117.db2.gz FJEYJZLCHUEAAK-AWEZNQCLSA-N 1 2 247.382 3.576 20 0 BHADLO CC(C)(C)C[N@@H+](C[C@H]1CCOC1)c1ccccc1 ZINC000485809831 527683193 /nfs/dbraw/zinc/68/31/93/527683193.db2.gz FJEYJZLCHUEAAK-CQSZACIVSA-N 1 2 247.382 3.576 20 0 BHADLO CC(C)(C)C[N@H+](C[C@H]1CCOC1)c1ccccc1 ZINC000485809831 527683192 /nfs/dbraw/zinc/68/31/92/527683192.db2.gz FJEYJZLCHUEAAK-CQSZACIVSA-N 1 2 247.382 3.576 20 0 BHADLO CC(C)(C)C[N@@H+](CC1(C)COC1)c1ccccc1 ZINC000485827949 527679377 /nfs/dbraw/zinc/67/93/77/527679377.db2.gz GYGKNHIZFHYXBZ-UHFFFAOYSA-N 1 2 247.382 3.576 20 0 BHADLO CC(C)(C)C[N@H+](CC1(C)COC1)c1ccccc1 ZINC000485827949 527679372 /nfs/dbraw/zinc/67/93/72/527679372.db2.gz GYGKNHIZFHYXBZ-UHFFFAOYSA-N 1 2 247.382 3.576 20 0 BHADLO Cc1ccc([C@@H]2CCCN2c2cccc[nH+]2)cc1 ZINC000486157217 225261530 /nfs/dbraw/zinc/26/15/30/225261530.db2.gz MPUNFRQQYUHVNG-HNNXBMFYSA-N 1 2 238.334 3.732 20 0 BHADLO Cc1ccc([C@H]2CCCN2c2cccc[nH+]2)cc1 ZINC000486157227 225262105 /nfs/dbraw/zinc/26/21/05/225262105.db2.gz MPUNFRQQYUHVNG-OAHLLOKOSA-N 1 2 238.334 3.732 20 0 BHADLO CCSCCOc1cc(C)[nH+]c2ccccc21 ZINC000486186455 529181984 /nfs/dbraw/zinc/18/19/84/529181984.db2.gz BJOPNGYLRNJYGP-UHFFFAOYSA-N 1 2 247.363 3.675 20 0 BHADLO Cc1cc(OCC2CCC2)c2ccccc2[nH+]1 ZINC000486202527 229178513 /nfs/dbraw/zinc/17/85/13/229178513.db2.gz HZVHMSLCTHSLSH-UHFFFAOYSA-N 1 2 227.307 3.722 20 0 BHADLO Cc1cc(OCC(C)C)c2ccccc2[nH+]1 ZINC000486202820 225262437 /nfs/dbraw/zinc/26/24/37/225262437.db2.gz JFALPRGXYIZQFP-UHFFFAOYSA-N 1 2 215.296 3.578 20 0 BHADLO Cc1cc(OC2CCCC2)c2ccccc2[nH+]1 ZINC000486205982 225262296 /nfs/dbraw/zinc/26/22/96/225262296.db2.gz URGFHRNIYUNBAG-UHFFFAOYSA-N 1 2 227.307 3.865 20 0 BHADLO Cc1cc(OCCC2CC2)c2ccccc2[nH+]1 ZINC000486236069 538884173 /nfs/dbraw/zinc/88/41/73/538884173.db2.gz YXIDGNPJYUBHKH-UHFFFAOYSA-N 1 2 227.307 3.722 20 0 BHADLO Cc1ccc(C)c([N@H+](C)C[C@H]2CCO[C@H](C)C2)c1 ZINC000486732921 533672066 /nfs/dbraw/zinc/67/20/66/533672066.db2.gz DHUAVAOONXPHTJ-CABCVRRESA-N 1 2 247.382 3.555 20 0 BHADLO Cc1ccc(C)c([N@@H+](C)C[C@H]2CCO[C@H](C)C2)c1 ZINC000486732921 533672057 /nfs/dbraw/zinc/67/20/57/533672057.db2.gz DHUAVAOONXPHTJ-CABCVRRESA-N 1 2 247.382 3.555 20 0 BHADLO Cc1ccc(C)c([N@H+](C)C[C@H]2CCO[C@@H](C)C2)c1 ZINC000486732923 533670639 /nfs/dbraw/zinc/67/06/39/533670639.db2.gz DHUAVAOONXPHTJ-GJZGRUSLSA-N 1 2 247.382 3.555 20 0 BHADLO Cc1ccc(C)c([N@@H+](C)C[C@H]2CCO[C@@H](C)C2)c1 ZINC000486732923 533670630 /nfs/dbraw/zinc/67/06/30/533670630.db2.gz DHUAVAOONXPHTJ-GJZGRUSLSA-N 1 2 247.382 3.555 20 0 BHADLO Cc1ccc(C)c([N@H+](C)C[C@@H]2CCO[C@H](C)C2)c1 ZINC000486732924 533671329 /nfs/dbraw/zinc/67/13/29/533671329.db2.gz DHUAVAOONXPHTJ-HUUCEWRRSA-N 1 2 247.382 3.555 20 0 BHADLO Cc1ccc(C)c([N@@H+](C)C[C@@H]2CCO[C@H](C)C2)c1 ZINC000486732924 533671324 /nfs/dbraw/zinc/67/13/24/533671324.db2.gz DHUAVAOONXPHTJ-HUUCEWRRSA-N 1 2 247.382 3.555 20 0 BHADLO Cc1ccc(C)c([N@H+](C)C[C@@H]2CCO[C@@H](C)C2)c1 ZINC000486732926 533671346 /nfs/dbraw/zinc/67/13/46/533671346.db2.gz DHUAVAOONXPHTJ-LSDHHAIUSA-N 1 2 247.382 3.555 20 0 BHADLO Cc1ccc(C)c([N@@H+](C)C[C@@H]2CCO[C@@H](C)C2)c1 ZINC000486732926 533671342 /nfs/dbraw/zinc/67/13/42/533671342.db2.gz DHUAVAOONXPHTJ-LSDHHAIUSA-N 1 2 247.382 3.555 20 0 BHADLO Cc1cccc([N@H+](C)C[C@@H]2CCO[C@@H](C)C2)c1C ZINC000486738271 534742923 /nfs/dbraw/zinc/74/29/23/534742923.db2.gz ARAHBNJCBRCBIA-DZGCQCFKSA-N 1 2 247.382 3.555 20 0 BHADLO Cc1cccc([N@@H+](C)C[C@@H]2CCO[C@@H](C)C2)c1C ZINC000486738271 534742921 /nfs/dbraw/zinc/74/29/21/534742921.db2.gz ARAHBNJCBRCBIA-DZGCQCFKSA-N 1 2 247.382 3.555 20 0 BHADLO Cc1cccc([N@H+](C)C[C@H]2CCO[C@H](C)C2)c1C ZINC000486738272 534742367 /nfs/dbraw/zinc/74/23/67/534742367.db2.gz ARAHBNJCBRCBIA-HIFRSBDPSA-N 1 2 247.382 3.555 20 0 BHADLO Cc1cccc([N@@H+](C)C[C@H]2CCO[C@H](C)C2)c1C ZINC000486738272 534742360 /nfs/dbraw/zinc/74/23/60/534742360.db2.gz ARAHBNJCBRCBIA-HIFRSBDPSA-N 1 2 247.382 3.555 20 0 BHADLO Cc1cccc([N@H+](C)C[C@@H]2CCO[C@H](C)C2)c1C ZINC000486738273 534742352 /nfs/dbraw/zinc/74/23/52/534742352.db2.gz ARAHBNJCBRCBIA-UKRRQHHQSA-N 1 2 247.382 3.555 20 0 BHADLO Cc1cccc([N@@H+](C)C[C@@H]2CCO[C@H](C)C2)c1C ZINC000486738273 534742332 /nfs/dbraw/zinc/74/23/32/534742332.db2.gz ARAHBNJCBRCBIA-UKRRQHHQSA-N 1 2 247.382 3.555 20 0 BHADLO Cc1cccc([N@H+](C)C[C@H]2CCO[C@@H](C)C2)c1C ZINC000486738274 534742683 /nfs/dbraw/zinc/74/26/83/534742683.db2.gz ARAHBNJCBRCBIA-ZFWWWQNUSA-N 1 2 247.382 3.555 20 0 BHADLO Cc1cccc([N@@H+](C)C[C@H]2CCO[C@@H](C)C2)c1C ZINC000486738274 534742677 /nfs/dbraw/zinc/74/26/77/534742677.db2.gz ARAHBNJCBRCBIA-ZFWWWQNUSA-N 1 2 247.382 3.555 20 0 BHADLO Cc1ccc(CC[N@@H+](CC(F)F)C(C)C)cc1 ZINC000486791022 533784092 /nfs/dbraw/zinc/78/40/92/533784092.db2.gz JTHCLFNRTTVIAK-UHFFFAOYSA-N 1 2 241.325 3.513 20 0 BHADLO Cc1ccc(CC[N@H+](CC(F)F)C(C)C)cc1 ZINC000486791022 533784086 /nfs/dbraw/zinc/78/40/86/533784086.db2.gz JTHCLFNRTTVIAK-UHFFFAOYSA-N 1 2 241.325 3.513 20 0 BHADLO CCCCC[C@@H]1CCCN1c1cccc[nH+]1 ZINC000486909908 528262311 /nfs/dbraw/zinc/26/23/11/528262311.db2.gz WQZXEBRWPSKMFY-CYBMUJFWSA-N 1 2 218.344 3.631 20 0 BHADLO CCCCC[C@H]1CCCN1c1cccc[nH+]1 ZINC000486909916 528274697 /nfs/dbraw/zinc/27/46/97/528274697.db2.gz WQZXEBRWPSKMFY-ZDUSSCGKSA-N 1 2 218.344 3.631 20 0 BHADLO Cc1ccc([C@H](C)N(C)c2cccc[nH+]2)c(C)c1 ZINC000486950143 225275286 /nfs/dbraw/zinc/27/52/86/225275286.db2.gz KSQSFHCRODVPBY-AWEZNQCLSA-N 1 2 240.350 3.896 20 0 BHADLO Cc1ccc([C@@H](C)N(C)c2cccc[nH+]2)c(C)c1 ZINC000486950345 225275645 /nfs/dbraw/zinc/27/56/45/225275645.db2.gz KSQSFHCRODVPBY-CQSZACIVSA-N 1 2 240.350 3.896 20 0 BHADLO Cc1ccc(C(C)(C)CNc2cccc[nH+]2)cc1 ZINC000487994458 225340191 /nfs/dbraw/zinc/34/01/91/225340191.db2.gz FGJYOEFGBAWKNK-UHFFFAOYSA-N 1 2 240.350 3.780 20 0 BHADLO CC(C)[N@@H+](C[C@H]1CCO[C@H](C)C1)c1ccccc1 ZINC000488236808 528936586 /nfs/dbraw/zinc/93/65/86/528936586.db2.gz YEOCNSFUVNEAJQ-CABCVRRESA-N 1 2 247.382 3.717 20 0 BHADLO CC(C)[N@H+](C[C@H]1CCO[C@H](C)C1)c1ccccc1 ZINC000488236808 528936580 /nfs/dbraw/zinc/93/65/80/528936580.db2.gz YEOCNSFUVNEAJQ-CABCVRRESA-N 1 2 247.382 3.717 20 0 BHADLO CC(C)[N@@H+](C[C@H]1CCO[C@@H](C)C1)c1ccccc1 ZINC000488236810 528936658 /nfs/dbraw/zinc/93/66/58/528936658.db2.gz YEOCNSFUVNEAJQ-GJZGRUSLSA-N 1 2 247.382 3.717 20 0 BHADLO CC(C)[N@H+](C[C@H]1CCO[C@@H](C)C1)c1ccccc1 ZINC000488236810 528936655 /nfs/dbraw/zinc/93/66/55/528936655.db2.gz YEOCNSFUVNEAJQ-GJZGRUSLSA-N 1 2 247.382 3.717 20 0 BHADLO CC(C)[N@@H+](C[C@@H]1CCO[C@H](C)C1)c1ccccc1 ZINC000488236811 528925691 /nfs/dbraw/zinc/92/56/91/528925691.db2.gz YEOCNSFUVNEAJQ-HUUCEWRRSA-N 1 2 247.382 3.717 20 0 BHADLO CC(C)[N@H+](C[C@@H]1CCO[C@H](C)C1)c1ccccc1 ZINC000488236811 528925687 /nfs/dbraw/zinc/92/56/87/528925687.db2.gz YEOCNSFUVNEAJQ-HUUCEWRRSA-N 1 2 247.382 3.717 20 0 BHADLO CC(C)[N@@H+](C[C@@H]1CCO[C@@H](C)C1)c1ccccc1 ZINC000488236813 528925804 /nfs/dbraw/zinc/92/58/04/528925804.db2.gz YEOCNSFUVNEAJQ-LSDHHAIUSA-N 1 2 247.382 3.717 20 0 BHADLO CC(C)[N@H+](C[C@@H]1CCO[C@@H](C)C1)c1ccccc1 ZINC000488236813 528925802 /nfs/dbraw/zinc/92/58/02/528925802.db2.gz YEOCNSFUVNEAJQ-LSDHHAIUSA-N 1 2 247.382 3.717 20 0 BHADLO CC[N@@H+](C[C@H]1CCO[C@H](C)C1)c1cccc(C)c1 ZINC000488239260 528752220 /nfs/dbraw/zinc/75/22/20/528752220.db2.gz WRGAPHZACXSQTH-CABCVRRESA-N 1 2 247.382 3.636 20 0 BHADLO CC[N@H+](C[C@H]1CCO[C@H](C)C1)c1cccc(C)c1 ZINC000488239260 528752214 /nfs/dbraw/zinc/75/22/14/528752214.db2.gz WRGAPHZACXSQTH-CABCVRRESA-N 1 2 247.382 3.636 20 0 BHADLO CC[N@@H+](C[C@H]1CCO[C@@H](C)C1)c1cccc(C)c1 ZINC000488239262 528752538 /nfs/dbraw/zinc/75/25/38/528752538.db2.gz WRGAPHZACXSQTH-GJZGRUSLSA-N 1 2 247.382 3.636 20 0 BHADLO CC[N@H+](C[C@H]1CCO[C@@H](C)C1)c1cccc(C)c1 ZINC000488239262 528752537 /nfs/dbraw/zinc/75/25/37/528752537.db2.gz WRGAPHZACXSQTH-GJZGRUSLSA-N 1 2 247.382 3.636 20 0 BHADLO CC[N@@H+](C[C@@H]1CCO[C@H](C)C1)c1cccc(C)c1 ZINC000488239264 528682640 /nfs/dbraw/zinc/68/26/40/528682640.db2.gz WRGAPHZACXSQTH-HUUCEWRRSA-N 1 2 247.382 3.636 20 0 BHADLO CC[N@H+](C[C@@H]1CCO[C@H](C)C1)c1cccc(C)c1 ZINC000488239264 528682627 /nfs/dbraw/zinc/68/26/27/528682627.db2.gz WRGAPHZACXSQTH-HUUCEWRRSA-N 1 2 247.382 3.636 20 0 BHADLO CC[N@@H+](C[C@@H]1CCO[C@@H](C)C1)c1cccc(C)c1 ZINC000488239266 528682790 /nfs/dbraw/zinc/68/27/90/528682790.db2.gz WRGAPHZACXSQTH-LSDHHAIUSA-N 1 2 247.382 3.636 20 0 BHADLO CC[N@H+](C[C@@H]1CCO[C@@H](C)C1)c1cccc(C)c1 ZINC000488239266 528682784 /nfs/dbraw/zinc/68/27/84/528682784.db2.gz WRGAPHZACXSQTH-LSDHHAIUSA-N 1 2 247.382 3.636 20 0 BHADLO Cc1cc(N2CCCC2)ccc1[NH2+]C[C@H]1C[C@@H]1C ZINC000488291504 225361281 /nfs/dbraw/zinc/36/12/81/225361281.db2.gz HLMGMVOEIYZMKI-GXTWGEPZSA-N 1 2 244.382 3.663 20 0 BHADLO Cc1cc(N2CCCC2)ccc1[NH2+]C[C@@H]1C[C@@H]1C ZINC000488291505 225361603 /nfs/dbraw/zinc/36/16/03/225361603.db2.gz HLMGMVOEIYZMKI-JSGCOSHPSA-N 1 2 244.382 3.663 20 0 BHADLO Cc1cc(N2CCCC2)ccc1[NH2+]C[C@@H]1C[C@H]1C ZINC000488291506 225361782 /nfs/dbraw/zinc/36/17/82/225361782.db2.gz HLMGMVOEIYZMKI-OCCSQVGLSA-N 1 2 244.382 3.663 20 0 BHADLO Cc1cc(N2CCCC2)ccc1[NH2+]C[C@H]1C[C@H]1C ZINC000488291508 225361640 /nfs/dbraw/zinc/36/16/40/225361640.db2.gz HLMGMVOEIYZMKI-TZMCWYRMSA-N 1 2 244.382 3.663 20 0 BHADLO Cc1ccc(NC2CCC3(CC3)CC2)c(C)[nH+]1 ZINC000488436963 225397190 /nfs/dbraw/zinc/39/71/90/225397190.db2.gz CNHQOAGZCUKMCE-UHFFFAOYSA-N 1 2 230.355 3.833 20 0 BHADLO CSc1ccc(NC2CCC3(CC3)CC2)[nH+]c1 ZINC000488447556 388179528 /nfs/dbraw/zinc/17/95/28/388179528.db2.gz JTFJCSPCGXZFNZ-UHFFFAOYSA-N 1 2 248.395 3.938 20 0 BHADLO FC1(F)CCCC[C@@H](CNc2cccc[nH+]2)C1 ZINC000488454987 388180377 /nfs/dbraw/zinc/18/03/77/388180377.db2.gz DYFXMDLWBVPYBE-LLVKDONJSA-N 1 2 240.297 3.709 20 0 BHADLO FC1(F)CCCC[C@H](CNc2cccc[nH+]2)C1 ZINC000488454997 388180681 /nfs/dbraw/zinc/18/06/81/388180681.db2.gz DYFXMDLWBVPYBE-NSHDSACASA-N 1 2 240.297 3.709 20 0 BHADLO CC(C)[C@H]([NH2+]C1CCC2(CC2)CC1)C(F)(F)F ZINC000488469908 388181370 /nfs/dbraw/zinc/18/13/70/388181370.db2.gz BGZPFTLNNSZLJO-NSHDSACASA-N 1 2 249.320 3.886 20 0 BHADLO Fc1cc(C2CC2)ccc1CNc1cccc[nH+]1 ZINC000488494331 388182152 /nfs/dbraw/zinc/18/21/52/388182152.db2.gz YTPVJQHBKGGJPW-UHFFFAOYSA-N 1 2 242.297 3.710 20 0 BHADLO Cc1ccc2c(c1)[C@H](Nc1cccc[nH+]1)CCC2 ZINC000488785329 388194997 /nfs/dbraw/zinc/19/49/97/388194997.db2.gz OIYMDJYRQKYATR-OAHLLOKOSA-N 1 2 238.334 3.880 20 0 BHADLO CC[C@@H]1CCN1c1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC000489070263 388203511 /nfs/dbraw/zinc/20/35/11/388203511.db2.gz JIMCBVATOXTNQG-GFCCVEGCSA-N 1 2 247.386 3.712 20 0 BHADLO CC[C@H]1CCN1c1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC000489070265 388203343 /nfs/dbraw/zinc/20/33/43/388203343.db2.gz JIMCBVATOXTNQG-LBPRGKRZSA-N 1 2 247.386 3.712 20 0 BHADLO C[C@@H]1CCC[C@H]([NH2+][C@H](C2CC2)C(F)(F)F)[C@H]1C ZINC000489763953 388224316 /nfs/dbraw/zinc/22/43/16/388224316.db2.gz FQRXXAJFOIVZDS-LLHIFLOGSA-N 1 2 249.320 3.742 20 0 BHADLO C[C@@H]1CCC[C@H]([NH2+][C@@H](C2CC2)C(F)(F)F)[C@@H]1C ZINC000489763955 388224181 /nfs/dbraw/zinc/22/41/81/388224181.db2.gz FQRXXAJFOIVZDS-LSKIRQOJSA-N 1 2 249.320 3.742 20 0 BHADLO C[C@@H]1CCC[C@H]([NH2+][C@H](C2CC2)C(F)(F)F)[C@@H]1C ZINC000489763957 388224086 /nfs/dbraw/zinc/22/40/86/388224086.db2.gz FQRXXAJFOIVZDS-PKZYVASSSA-N 1 2 249.320 3.742 20 0 BHADLO C[C@@H]1CCC[C@H]([NH2+][C@@H](C2CC2)C(F)(F)F)[C@H]1C ZINC000489763958 388224609 /nfs/dbraw/zinc/22/46/09/388224609.db2.gz FQRXXAJFOIVZDS-QCZKYFFMSA-N 1 2 249.320 3.742 20 0 BHADLO C[C@@H]1CC[C@H]([NH2+][C@H](C2CC2)C(F)(F)F)[C@@H](C)C1 ZINC000489771472 388224376 /nfs/dbraw/zinc/22/43/76/388224376.db2.gz SKESNTOMDMCDIB-LLHIFLOGSA-N 1 2 249.320 3.742 20 0 BHADLO C[C@@H]1CC[C@H]([NH2+][C@@H](C2CC2)C(F)(F)F)[C@H](C)C1 ZINC000489771473 388224162 /nfs/dbraw/zinc/22/41/62/388224162.db2.gz SKESNTOMDMCDIB-LSKIRQOJSA-N 1 2 249.320 3.742 20 0 BHADLO C[C@@H]1CC[C@H]([NH2+][C@H](C2CC2)C(F)(F)F)[C@H](C)C1 ZINC000489771474 388224479 /nfs/dbraw/zinc/22/44/79/388224479.db2.gz SKESNTOMDMCDIB-PKZYVASSSA-N 1 2 249.320 3.742 20 0 BHADLO C[C@@H]1CC[C@H]([NH2+][C@@H](C2CC2)C(F)(F)F)[C@@H](C)C1 ZINC000489771475 388224530 /nfs/dbraw/zinc/22/45/30/388224530.db2.gz SKESNTOMDMCDIB-QCZKYFFMSA-N 1 2 249.320 3.742 20 0 BHADLO CCC1CCC([NH2+][C@@H](C2CC2)C(F)(F)F)CC1 ZINC000489801543 388225316 /nfs/dbraw/zinc/22/53/16/388225316.db2.gz PELDWRQWVRZBEP-NHNAUAITSA-N 1 2 249.320 3.886 20 0 BHADLO CCC1CCC([NH2+][C@H](C2CC2)C(F)(F)F)CC1 ZINC000489801546 388225144 /nfs/dbraw/zinc/22/51/44/388225144.db2.gz PELDWRQWVRZBEP-QEWOUOOISA-N 1 2 249.320 3.886 20 0 BHADLO CC1(C)CCC([NH2+][C@H](C2CC2)C(F)(F)F)CC1 ZINC000489806112 388225127 /nfs/dbraw/zinc/22/51/27/388225127.db2.gz YZNNIGUZFLOQJI-LLVKDONJSA-N 1 2 249.320 3.886 20 0 BHADLO CC1(C)CCC([NH2+][C@@H](C2CC2)C(F)(F)F)CC1 ZINC000489806113 388225382 /nfs/dbraw/zinc/22/53/82/388225382.db2.gz YZNNIGUZFLOQJI-NSHDSACASA-N 1 2 249.320 3.886 20 0 BHADLO C[C@@H]([NH2+][C@H](C1CC1)C(F)(F)F)C1CCCCC1 ZINC000489860844 388226547 /nfs/dbraw/zinc/22/65/47/388226547.db2.gz QNFCAWUITLQTPY-BXKDBHETSA-N 1 2 249.320 3.886 20 0 BHADLO C[C@H]([NH2+][C@@H](C1CC1)C(F)(F)F)C1CCCCC1 ZINC000489860845 388226375 /nfs/dbraw/zinc/22/63/75/388226375.db2.gz QNFCAWUITLQTPY-CABZTGNLSA-N 1 2 249.320 3.886 20 0 BHADLO C[C@H]([NH2+][C@H](C1CC1)C(F)(F)F)C1CCCCC1 ZINC000489860846 388225802 /nfs/dbraw/zinc/22/58/02/388225802.db2.gz QNFCAWUITLQTPY-JOYOIKCWSA-N 1 2 249.320 3.886 20 0 BHADLO C[C@@H]([NH2+][C@@H](C1CC1)C(F)(F)F)C1CCCCC1 ZINC000489860847 388226142 /nfs/dbraw/zinc/22/61/42/388226142.db2.gz QNFCAWUITLQTPY-SKDRFNHKSA-N 1 2 249.320 3.886 20 0 BHADLO C[C@@H]1CC[C@H]([NH2+][C@H](C2CC2)C(F)(F)F)C[C@@H]1C ZINC000489861433 388226541 /nfs/dbraw/zinc/22/65/41/388226541.db2.gz SITIGIVFYATNHU-LLHIFLOGSA-N 1 2 249.320 3.742 20 0 BHADLO C[C@@H]1CC[C@H]([NH2+][C@@H](C2CC2)C(F)(F)F)C[C@H]1C ZINC000489861434 388226014 /nfs/dbraw/zinc/22/60/14/388226014.db2.gz SITIGIVFYATNHU-LSKIRQOJSA-N 1 2 249.320 3.742 20 0 BHADLO C[C@@H]1CC[C@H]([NH2+][C@H](C2CC2)C(F)(F)F)C[C@H]1C ZINC000489861435 388225875 /nfs/dbraw/zinc/22/58/75/388225875.db2.gz SITIGIVFYATNHU-PKZYVASSSA-N 1 2 249.320 3.742 20 0 BHADLO C[C@@H]1CC[C@H]([NH2+][C@@H](C2CC2)C(F)(F)F)C[C@@H]1C ZINC000489861436 225492034 /nfs/dbraw/zinc/49/20/34/225492034.db2.gz SITIGIVFYATNHU-QCZKYFFMSA-N 1 2 249.320 3.742 20 0 BHADLO CC[C@@H]1CCC[C@H]([NH2+][C@H](C2CC2)C(F)(F)F)C1 ZINC000489882004 388227101 /nfs/dbraw/zinc/22/71/01/388227101.db2.gz IRDNJIZYSAWXFS-ADEWGFFLSA-N 1 2 249.320 3.886 20 0 BHADLO CC[C@@H]1CCC[C@@H]([NH2+][C@@H](C2CC2)C(F)(F)F)C1 ZINC000489882006 388226880 /nfs/dbraw/zinc/22/68/80/388226880.db2.gz IRDNJIZYSAWXFS-JLLWLGSASA-N 1 2 249.320 3.886 20 0 BHADLO CC[C@@H]1CCC[C@H]([NH2+][C@@H](C2CC2)C(F)(F)F)C1 ZINC000489882007 388226840 /nfs/dbraw/zinc/22/68/40/388226840.db2.gz IRDNJIZYSAWXFS-USWWRNFRSA-N 1 2 249.320 3.886 20 0 BHADLO CC[C@@H]1CCC[C@@H]([NH2+][C@H](C2CC2)C(F)(F)F)C1 ZINC000489882009 388227213 /nfs/dbraw/zinc/22/72/13/388227213.db2.gz IRDNJIZYSAWXFS-YUSALJHKSA-N 1 2 249.320 3.886 20 0 BHADLO CC1(C)CCC[C@@H]([NH2+][C@H](C2CC2)C(F)(F)F)C1 ZINC000489882962 388226965 /nfs/dbraw/zinc/22/69/65/388226965.db2.gz JDWZESBGNXADMD-GHMZBOCLSA-N 1 2 249.320 3.886 20 0 BHADLO CC1(C)CCC[C@@H]([NH2+][C@@H](C2CC2)C(F)(F)F)C1 ZINC000489882964 388226259 /nfs/dbraw/zinc/22/62/59/388226259.db2.gz JDWZESBGNXADMD-MNOVXSKESA-N 1 2 249.320 3.886 20 0 BHADLO CC1(C)CCC[C@H]([NH2+][C@@H](C2CC2)C(F)(F)F)C1 ZINC000489882966 388225911 /nfs/dbraw/zinc/22/59/11/388225911.db2.gz JDWZESBGNXADMD-QWRGUYRKSA-N 1 2 249.320 3.886 20 0 BHADLO CC1(C)CCC[C@H]([NH2+][C@H](C2CC2)C(F)(F)F)C1 ZINC000489882968 388225825 /nfs/dbraw/zinc/22/58/25/388225825.db2.gz JDWZESBGNXADMD-WDEREUQCSA-N 1 2 249.320 3.886 20 0 BHADLO C[C@H](CC1CCCC1)[NH2+][C@H](C1CC1)C(F)(F)F ZINC000489912938 388228464 /nfs/dbraw/zinc/22/84/64/388228464.db2.gz XUAWEHUDUFPNSX-BXKDBHETSA-N 1 2 249.320 3.886 20 0 BHADLO C[C@@H](CC1CCCC1)[NH2+][C@@H](C1CC1)C(F)(F)F ZINC000489912939 388228159 /nfs/dbraw/zinc/22/81/59/388228159.db2.gz XUAWEHUDUFPNSX-CABZTGNLSA-N 1 2 249.320 3.886 20 0 BHADLO C[C@@H](CC1CCCC1)[NH2+][C@H](C1CC1)C(F)(F)F ZINC000489912940 388228039 /nfs/dbraw/zinc/22/80/39/388228039.db2.gz XUAWEHUDUFPNSX-JOYOIKCWSA-N 1 2 249.320 3.886 20 0 BHADLO C[C@H](CC1CCCC1)[NH2+][C@@H](C1CC1)C(F)(F)F ZINC000489912941 388227784 /nfs/dbraw/zinc/22/77/84/388227784.db2.gz XUAWEHUDUFPNSX-SKDRFNHKSA-N 1 2 249.320 3.886 20 0 BHADLO C[C@H]1CC([NH2+][C@H](C2CC2)C(F)(F)F)C[C@H](C)C1 ZINC000489934308 388229380 /nfs/dbraw/zinc/22/93/80/388229380.db2.gz LPKHPPDEMWSVQP-KBVBSXBZSA-N 1 2 249.320 3.742 20 0 BHADLO C[C@H]1C[C@H]([NH2+][C@H](C2CC2)C(F)(F)F)C[C@@H](C)C1 ZINC000489934310 388228835 /nfs/dbraw/zinc/22/88/35/388228835.db2.gz LPKHPPDEMWSVQP-LLHIFLOGSA-N 1 2 249.320 3.742 20 0 BHADLO C[C@H]1CC([NH2+][C@@H](C2CC2)C(F)(F)F)C[C@H](C)C1 ZINC000489934312 388229006 /nfs/dbraw/zinc/22/90/06/388229006.db2.gz LPKHPPDEMWSVQP-LNLATYFQSA-N 1 2 249.320 3.742 20 0 BHADLO C[C@H]1C[C@H]([NH2+][C@@H](C2CC2)C(F)(F)F)C[C@@H](C)C1 ZINC000489934314 388229334 /nfs/dbraw/zinc/22/93/34/388229334.db2.gz LPKHPPDEMWSVQP-SPFNVWMYSA-N 1 2 249.320 3.742 20 0 BHADLO FC(F)(F)[C@H]([NH2+][C@@H]1CCC12CCCC2)C1CC1 ZINC000489940968 388229108 /nfs/dbraw/zinc/22/91/08/388229108.db2.gz KFMACYGFWGZNBA-GHMZBOCLSA-N 1 2 247.304 3.640 20 0 BHADLO FC(F)(F)[C@@H]([NH2+][C@@H]1CCC12CCCC2)C1CC1 ZINC000489940969 388228760 /nfs/dbraw/zinc/22/87/60/388228760.db2.gz KFMACYGFWGZNBA-MNOVXSKESA-N 1 2 247.304 3.640 20 0 BHADLO FC(F)(F)[C@@H]([NH2+][C@H]1CCC12CCCC2)C1CC1 ZINC000489940971 388228678 /nfs/dbraw/zinc/22/86/78/388228678.db2.gz KFMACYGFWGZNBA-QWRGUYRKSA-N 1 2 247.304 3.640 20 0 BHADLO FC(F)(F)[C@H]([NH2+][C@H]1CCC12CCCC2)C1CC1 ZINC000489940972 388229221 /nfs/dbraw/zinc/22/92/21/388229221.db2.gz KFMACYGFWGZNBA-WDEREUQCSA-N 1 2 247.304 3.640 20 0 BHADLO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@H](C1CC1)C(F)(F)F ZINC000489943941 534146131 /nfs/dbraw/zinc/14/61/31/534146131.db2.gz WGZRYPQBTUEBSM-DVVUODLYSA-N 1 2 249.320 3.742 20 0 BHADLO C[C@@H]1CC(C)(C)C[C@H]1[NH2+][C@H](C1CC1)C(F)(F)F ZINC000489943942 388229278 /nfs/dbraw/zinc/22/92/78/388229278.db2.gz WGZRYPQBTUEBSM-FBIMIBRVSA-N 1 2 249.320 3.742 20 0 BHADLO C[C@@H]1CC(C)(C)C[C@H]1[NH2+][C@@H](C1CC1)C(F)(F)F ZINC000489943943 388229091 /nfs/dbraw/zinc/22/90/91/388229091.db2.gz WGZRYPQBTUEBSM-IEBDPFPHSA-N 1 2 249.320 3.742 20 0 BHADLO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@@H](C1CC1)C(F)(F)F ZINC000489943944 388229000 /nfs/dbraw/zinc/22/90/00/388229000.db2.gz WGZRYPQBTUEBSM-MIMYLULJSA-N 1 2 249.320 3.742 20 0 BHADLO c1ccc(NCc2ccc3c(c2)CCCC3)[nH+]c1 ZINC000490573205 388241028 /nfs/dbraw/zinc/24/10/28/388241028.db2.gz UEWKDCCTYDHRFD-UHFFFAOYSA-N 1 2 238.334 3.573 20 0 BHADLO COCCCCC[N@@H+](C)c1cc(C)ccc1C ZINC000491045938 229189706 /nfs/dbraw/zinc/18/97/06/229189706.db2.gz DGJKAVRLBPRYEL-UHFFFAOYSA-N 1 2 235.371 3.556 20 0 BHADLO COCCCCC[N@H+](C)c1cc(C)ccc1C ZINC000491045938 229189702 /nfs/dbraw/zinc/18/97/02/229189702.db2.gz DGJKAVRLBPRYEL-UHFFFAOYSA-N 1 2 235.371 3.556 20 0 BHADLO COCCCCC[N@@H+](C)c1cc(C)cc(C)c1 ZINC000491054359 362848134 /nfs/dbraw/zinc/84/81/34/362848134.db2.gz WFSRCWPPPPHQEM-UHFFFAOYSA-N 1 2 235.371 3.556 20 0 BHADLO COCCCCC[N@H+](C)c1cc(C)cc(C)c1 ZINC000491054359 362848131 /nfs/dbraw/zinc/84/81/31/362848131.db2.gz WFSRCWPPPPHQEM-UHFFFAOYSA-N 1 2 235.371 3.556 20 0 BHADLO CCC[N@H+](Cc1cc(F)ccc1C)CC(F)F ZINC000491080158 388268786 /nfs/dbraw/zinc/26/87/86/388268786.db2.gz VAWMHLVSUMTHJT-UHFFFAOYSA-N 1 2 245.288 3.611 20 0 BHADLO CCC[N@@H+](Cc1cc(F)ccc1C)CC(F)F ZINC000491080158 388268784 /nfs/dbraw/zinc/26/87/84/388268784.db2.gz VAWMHLVSUMTHJT-UHFFFAOYSA-N 1 2 245.288 3.611 20 0 BHADLO C/C(=C/c1ccccc1)CN(C)c1cccc[nH+]1 ZINC000491653566 346953072 /nfs/dbraw/zinc/95/30/72/346953072.db2.gz FQCRBAHQWOEKSJ-OWBHPGMISA-N 1 2 238.334 3.621 20 0 BHADLO C/C(=C\c1ccccc1)CN(C)c1cccc[nH+]1 ZINC000491653567 346953304 /nfs/dbraw/zinc/95/33/04/346953304.db2.gz FQCRBAHQWOEKSJ-WYMLVPIESA-N 1 2 238.334 3.621 20 0 BHADLO C/C=C(/C=C/C(=O)Nc1ccc(C)[nH+]c1C)CC ZINC000492114536 388335461 /nfs/dbraw/zinc/33/54/61/388335461.db2.gz AVLBTXWAIZGPDH-CKRZAMJHSA-N 1 2 244.338 3.549 20 0 BHADLO C/C=C(/C=C\C(=O)Nc1ccc(C)[nH+]c1C)CC ZINC000492114537 388335359 /nfs/dbraw/zinc/33/53/59/388335359.db2.gz AVLBTXWAIZGPDH-KEIICBDLSA-N 1 2 244.338 3.549 20 0 BHADLO Fc1ccc2c(c1)[C@@H]([N@H+]1CCC=C(F)C1)CCC2 ZINC000492970229 534501761 /nfs/dbraw/zinc/50/17/61/534501761.db2.gz BGJBMZWEMUQAHG-HNNXBMFYSA-N 1 2 249.304 3.762 20 0 BHADLO Fc1ccc2c(c1)[C@@H]([N@@H+]1CCC=C(F)C1)CCC2 ZINC000492970229 534501758 /nfs/dbraw/zinc/50/17/58/534501758.db2.gz BGJBMZWEMUQAHG-HNNXBMFYSA-N 1 2 249.304 3.762 20 0 BHADLO Fc1ccc2c(c1)[C@H]([N@H+]1CCC=C(F)C1)CCC2 ZINC000492970230 534502236 /nfs/dbraw/zinc/50/22/36/534502236.db2.gz BGJBMZWEMUQAHG-OAHLLOKOSA-N 1 2 249.304 3.762 20 0 BHADLO Fc1ccc2c(c1)[C@H]([N@@H+]1CCC=C(F)C1)CCC2 ZINC000492970230 534502231 /nfs/dbraw/zinc/50/22/31/534502231.db2.gz BGJBMZWEMUQAHG-OAHLLOKOSA-N 1 2 249.304 3.762 20 0 BHADLO C[C@@H](c1ccccc1Cl)[N@H+]1CCC=C(F)C1 ZINC000492992719 226099725 /nfs/dbraw/zinc/09/97/25/226099725.db2.gz MFFARKPJDIHSKA-JTQLQIEISA-N 1 2 239.721 3.960 20 0 BHADLO C[C@@H](c1ccccc1Cl)[N@@H+]1CCC=C(F)C1 ZINC000492992719 226099720 /nfs/dbraw/zinc/09/97/20/226099720.db2.gz MFFARKPJDIHSKA-JTQLQIEISA-N 1 2 239.721 3.960 20 0 BHADLO C[C@H](c1ccccc1Cl)[N@H+]1CCC=C(F)C1 ZINC000492992720 534137879 /nfs/dbraw/zinc/13/78/79/534137879.db2.gz MFFARKPJDIHSKA-SNVBAGLBSA-N 1 2 239.721 3.960 20 0 BHADLO C[C@H](c1ccccc1Cl)[N@@H+]1CCC=C(F)C1 ZINC000492992720 534137871 /nfs/dbraw/zinc/13/78/71/534137871.db2.gz MFFARKPJDIHSKA-SNVBAGLBSA-N 1 2 239.721 3.960 20 0 BHADLO CC(C)[N@H+]1CCn2c(cc3cc(Cl)ccc32)C1 ZINC000494016593 529083765 /nfs/dbraw/zinc/08/37/65/529083765.db2.gz JCORXSRRJBKLHH-UHFFFAOYSA-N 1 2 248.757 3.519 20 0 BHADLO CC(C)[N@@H+]1CCn2c(cc3cc(Cl)ccc32)C1 ZINC000494016593 529083760 /nfs/dbraw/zinc/08/37/60/529083760.db2.gz JCORXSRRJBKLHH-UHFFFAOYSA-N 1 2 248.757 3.519 20 0 BHADLO CCC[N@H+]1CCn2c(cc3cc(Cl)ccc32)C1 ZINC000494038931 528261740 /nfs/dbraw/zinc/26/17/40/528261740.db2.gz QNFCZHBWNYEUQJ-UHFFFAOYSA-N 1 2 248.757 3.520 20 0 BHADLO CCC[N@@H+]1CCn2c(cc3cc(Cl)ccc32)C1 ZINC000494038931 528261734 /nfs/dbraw/zinc/26/17/34/528261734.db2.gz QNFCZHBWNYEUQJ-UHFFFAOYSA-N 1 2 248.757 3.520 20 0 BHADLO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000494235323 534107763 /nfs/dbraw/zinc/10/77/63/534107763.db2.gz VSNOKOVQBIAVQA-NEPJUHHUSA-N 1 2 239.309 3.725 20 0 BHADLO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000494235323 534107758 /nfs/dbraw/zinc/10/77/58/534107758.db2.gz VSNOKOVQBIAVQA-NEPJUHHUSA-N 1 2 239.309 3.725 20 0 BHADLO C[C@H](c1ccccc1)[N@H+]1CC[C@H](C)C(F)(F)C1 ZINC000494235324 534131120 /nfs/dbraw/zinc/13/11/20/534131120.db2.gz VSNOKOVQBIAVQA-NWDGAFQWSA-N 1 2 239.309 3.725 20 0 BHADLO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](C)C(F)(F)C1 ZINC000494235324 534131110 /nfs/dbraw/zinc/13/11/10/534131110.db2.gz VSNOKOVQBIAVQA-NWDGAFQWSA-N 1 2 239.309 3.725 20 0 BHADLO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](C)C(F)(F)C1 ZINC000494235325 534109689 /nfs/dbraw/zinc/10/96/89/534109689.db2.gz VSNOKOVQBIAVQA-RYUDHWBXSA-N 1 2 239.309 3.725 20 0 BHADLO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](C)C(F)(F)C1 ZINC000494235325 534109687 /nfs/dbraw/zinc/10/96/87/534109687.db2.gz VSNOKOVQBIAVQA-RYUDHWBXSA-N 1 2 239.309 3.725 20 0 BHADLO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000494235326 226262666 /nfs/dbraw/zinc/26/26/66/226262666.db2.gz VSNOKOVQBIAVQA-VXGBXAGGSA-N 1 2 239.309 3.725 20 0 BHADLO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000494235326 226262665 /nfs/dbraw/zinc/26/26/65/226262665.db2.gz VSNOKOVQBIAVQA-VXGBXAGGSA-N 1 2 239.309 3.725 20 0 BHADLO Cc1cc(OCC2CC2)c2cccc(C)c2[nH+]1 ZINC000498628113 226323082 /nfs/dbraw/zinc/32/30/82/226323082.db2.gz URXXFXAAFWXZGE-UHFFFAOYSA-N 1 2 227.307 3.640 20 0 BHADLO CCCCN(CCCC)c1cc[nH+]c(C2CC2)n1 ZINC000498803129 528407747 /nfs/dbraw/zinc/40/77/47/528407747.db2.gz FCIBCCVNERERKK-UHFFFAOYSA-N 1 2 247.386 3.761 20 0 BHADLO CC(C)c1nc(N(C)[C@@H]2CCCC[C@H]2C)cc[nH+]1 ZINC000498808714 528365960 /nfs/dbraw/zinc/36/59/60/528365960.db2.gz INMCJNDEPDWZJC-CHWSQXEVSA-N 1 2 247.386 3.615 20 0 BHADLO CC(C)c1nc(N(C)[C@H]2CCCC[C@H]2C)cc[nH+]1 ZINC000498808715 528365486 /nfs/dbraw/zinc/36/54/86/528365486.db2.gz INMCJNDEPDWZJC-OLZOCXBDSA-N 1 2 247.386 3.615 20 0 BHADLO CC(C)c1nc(N(C)[C@@H]2CCCC[C@@H]2C)cc[nH+]1 ZINC000498808716 528364842 /nfs/dbraw/zinc/36/48/42/528364842.db2.gz INMCJNDEPDWZJC-QWHCGFSZSA-N 1 2 247.386 3.615 20 0 BHADLO CC(C)c1nc(N(C)[C@H]2CCCC[C@@H]2C)cc[nH+]1 ZINC000498808717 528364753 /nfs/dbraw/zinc/36/47/53/528364753.db2.gz INMCJNDEPDWZJC-STQMWFEESA-N 1 2 247.386 3.615 20 0 BHADLO CCC[C@@H](C)N(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC000498811947 528888144 /nfs/dbraw/zinc/88/81/44/528888144.db2.gz BSICSMMRFPDFOS-GFCCVEGCSA-N 1 2 235.375 3.533 20 0 BHADLO CCC[C@H](C)N(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC000498811948 528049607 /nfs/dbraw/zinc/04/96/07/528049607.db2.gz BSICSMMRFPDFOS-LBPRGKRZSA-N 1 2 235.375 3.533 20 0 BHADLO CC(C)c1nc(N(C)C2CCCCCC2)cc[nH+]1 ZINC000498830222 528363810 /nfs/dbraw/zinc/36/38/10/528363810.db2.gz PORHRLRKKFUNDJ-UHFFFAOYSA-N 1 2 247.386 3.759 20 0 BHADLO CC(C)CC[N@H+](Cc1ccccc1)CC(F)F ZINC000498895301 527720636 /nfs/dbraw/zinc/72/06/36/527720636.db2.gz WVTHSSPJGXRPGS-UHFFFAOYSA-N 1 2 241.325 3.800 20 0 BHADLO CC(C)CC[N@@H+](Cc1ccccc1)CC(F)F ZINC000498895301 527720632 /nfs/dbraw/zinc/72/06/32/527720632.db2.gz WVTHSSPJGXRPGS-UHFFFAOYSA-N 1 2 241.325 3.800 20 0 BHADLO CCC[C@@H](C)[N@H+](Cc1ccccc1)CC(F)F ZINC000500095537 528890145 /nfs/dbraw/zinc/89/01/45/528890145.db2.gz GEMWVVDGOMUWMS-GFCCVEGCSA-N 1 2 241.325 3.942 20 0 BHADLO CCC[C@@H](C)[N@@H+](Cc1ccccc1)CC(F)F ZINC000500095537 528890143 /nfs/dbraw/zinc/89/01/43/528890143.db2.gz GEMWVVDGOMUWMS-GFCCVEGCSA-N 1 2 241.325 3.942 20 0 BHADLO CCC[C@H](C)[N@H+](Cc1ccccc1)CC(F)F ZINC000500095567 528048977 /nfs/dbraw/zinc/04/89/77/528048977.db2.gz GEMWVVDGOMUWMS-LBPRGKRZSA-N 1 2 241.325 3.942 20 0 BHADLO CCC[C@H](C)[N@@H+](Cc1ccccc1)CC(F)F ZINC000500095567 528048972 /nfs/dbraw/zinc/04/89/72/528048972.db2.gz GEMWVVDGOMUWMS-LBPRGKRZSA-N 1 2 241.325 3.942 20 0 BHADLO Cc1ccc(C)c([N@H+](C[C@@H]2CCOC2)C(C)C)c1 ZINC000500201177 533670728 /nfs/dbraw/zinc/67/07/28/533670728.db2.gz LCDCYIHVNOLVDN-HNNXBMFYSA-N 1 2 247.382 3.555 20 0 BHADLO Cc1ccc(C)c([N@@H+](C[C@@H]2CCOC2)C(C)C)c1 ZINC000500201177 533670721 /nfs/dbraw/zinc/67/07/21/533670721.db2.gz LCDCYIHVNOLVDN-HNNXBMFYSA-N 1 2 247.382 3.555 20 0 BHADLO Cc1ccc(C)c([N@H+](C[C@H]2CCOC2)C(C)C)c1 ZINC000500201178 533672341 /nfs/dbraw/zinc/67/23/41/533672341.db2.gz LCDCYIHVNOLVDN-OAHLLOKOSA-N 1 2 247.382 3.555 20 0 BHADLO Cc1ccc(C)c([N@@H+](C[C@H]2CCOC2)C(C)C)c1 ZINC000500201178 533672327 /nfs/dbraw/zinc/67/23/27/533672327.db2.gz LCDCYIHVNOLVDN-OAHLLOKOSA-N 1 2 247.382 3.555 20 0 BHADLO C/C(=C\c1ccccc1)CNc1c[nH+]ccc1C ZINC000500429901 527534026 /nfs/dbraw/zinc/53/40/26/527534026.db2.gz UEWKZBABXKIOSE-JLHYYAGUSA-N 1 2 238.334 3.905 20 0 BHADLO C/C(=C/c1ccccc1)CNc1c[nH+]ccc1C ZINC000500429902 527509177 /nfs/dbraw/zinc/50/91/77/527509177.db2.gz UEWKZBABXKIOSE-RAXLEYEMSA-N 1 2 238.334 3.905 20 0 BHADLO C/C(=C\c1ccccc1)CNc1ccc[nH+]c1C ZINC000500431143 527534841 /nfs/dbraw/zinc/53/48/41/527534841.db2.gz XKUOYTXWTJTSKF-ACCUITESSA-N 1 2 238.334 3.905 20 0 BHADLO C/C(=C/c1ccccc1)CNc1ccc[nH+]c1C ZINC000500431145 527508794 /nfs/dbraw/zinc/50/87/94/527508794.db2.gz XKUOYTXWTJTSKF-QBFSEMIESA-N 1 2 238.334 3.905 20 0 BHADLO FC(F)C1([NH2+]Cc2ccc3ccccc3c2)CC1 ZINC000500489625 226325942 /nfs/dbraw/zinc/32/59/42/226325942.db2.gz QECNWGYMAMHNSH-UHFFFAOYSA-N 1 2 247.288 3.727 20 0 BHADLO CCCc1cccc(C[NH2+]C2(C(F)F)CC2)c1 ZINC000500518835 528634942 /nfs/dbraw/zinc/63/49/42/528634942.db2.gz ZIQYJJKAXLUBJN-UHFFFAOYSA-N 1 2 239.309 3.526 20 0 BHADLO CC(C)c1ccc(C[NH2+]C2(C(F)F)CC2)cc1 ZINC000500527072 528099014 /nfs/dbraw/zinc/09/90/14/528099014.db2.gz CWJFYDCNLSXDFN-UHFFFAOYSA-N 1 2 239.309 3.697 20 0 BHADLO CCC[N@H+](Cc1ccc(Cl)cc1)CC(F)F ZINC000501073321 528134887 /nfs/dbraw/zinc/13/48/87/528134887.db2.gz AFELVNKQKGSNGJ-UHFFFAOYSA-N 1 2 247.716 3.817 20 0 BHADLO CCC[N@@H+](Cc1ccc(Cl)cc1)CC(F)F ZINC000501073321 528134882 /nfs/dbraw/zinc/13/48/82/528134882.db2.gz AFELVNKQKGSNGJ-UHFFFAOYSA-N 1 2 247.716 3.817 20 0 BHADLO Cc1ccc(C[N@@H+](CC(F)F)C2CC2)c(C)c1 ZINC000501088932 533881252 /nfs/dbraw/zinc/88/12/52/533881252.db2.gz AJGBPUALLAXEKK-UHFFFAOYSA-N 1 2 239.309 3.533 20 0 BHADLO Cc1ccc(C[N@H+](CC(F)F)C2CC2)c(C)c1 ZINC000501088932 533881249 /nfs/dbraw/zinc/88/12/49/533881249.db2.gz AJGBPUALLAXEKK-UHFFFAOYSA-N 1 2 239.309 3.533 20 0 BHADLO Cc1ccc(C[N@H+](CC(F)F)C(C)C)c(C)c1 ZINC000501089079 533880312 /nfs/dbraw/zinc/88/03/12/533880312.db2.gz BOCRULMAZWACLH-UHFFFAOYSA-N 1 2 241.325 3.779 20 0 BHADLO Cc1ccc(C[N@@H+](CC(F)F)C(C)C)c(C)c1 ZINC000501089079 533880308 /nfs/dbraw/zinc/88/03/08/533880308.db2.gz BOCRULMAZWACLH-UHFFFAOYSA-N 1 2 241.325 3.779 20 0 BHADLO CC[N@H+](Cc1ccc2ccccc2c1)CC(F)F ZINC000501090288 528801405 /nfs/dbraw/zinc/80/14/05/528801405.db2.gz QNJJTBBHJDCYQB-UHFFFAOYSA-N 1 2 249.304 3.927 20 0 BHADLO CC[N@@H+](Cc1ccc2ccccc2c1)CC(F)F ZINC000501090288 528801399 /nfs/dbraw/zinc/80/13/99/528801399.db2.gz QNJJTBBHJDCYQB-UHFFFAOYSA-N 1 2 249.304 3.927 20 0 BHADLO CC[N@H+](Cc1cccc2ccccc21)CC(F)F ZINC000501091051 528816479 /nfs/dbraw/zinc/81/64/79/528816479.db2.gz URRPBVKISLVOEY-UHFFFAOYSA-N 1 2 249.304 3.927 20 0 BHADLO CC[N@@H+](Cc1cccc2ccccc21)CC(F)F ZINC000501091051 528816475 /nfs/dbraw/zinc/81/64/75/528816475.db2.gz URRPBVKISLVOEY-UHFFFAOYSA-N 1 2 249.304 3.927 20 0 BHADLO CC[N@H+](Cc1c(C)cc(C)cc1C)CC(F)F ZINC000501091877 528756132 /nfs/dbraw/zinc/75/61/32/528756132.db2.gz RVUMMJHVYZWYKA-UHFFFAOYSA-N 1 2 241.325 3.699 20 0 BHADLO CC[N@@H+](Cc1c(C)cc(C)cc1C)CC(F)F ZINC000501091877 528756123 /nfs/dbraw/zinc/75/61/23/528756123.db2.gz RVUMMJHVYZWYKA-UHFFFAOYSA-N 1 2 241.325 3.699 20 0 BHADLO CC(C)[N@H+](Cc1ccc(Cl)cc1)CC(F)F ZINC000501098753 528939892 /nfs/dbraw/zinc/93/98/92/528939892.db2.gz BHQQABMNFWHNQZ-UHFFFAOYSA-N 1 2 247.716 3.816 20 0 BHADLO CC(C)[N@@H+](Cc1ccc(Cl)cc1)CC(F)F ZINC000501098753 528939887 /nfs/dbraw/zinc/93/98/87/528939887.db2.gz BHQQABMNFWHNQZ-UHFFFAOYSA-N 1 2 247.716 3.816 20 0 BHADLO CC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CC(F)F ZINC000501099234 529179085 /nfs/dbraw/zinc/17/90/85/529179085.db2.gz CRMUXEMIBYXEFE-LLVKDONJSA-N 1 2 247.716 3.988 20 0 BHADLO CC[C@H](c1ccc(Cl)cc1)[N@H+](C)CC(F)F ZINC000501099234 529179084 /nfs/dbraw/zinc/17/90/84/529179084.db2.gz CRMUXEMIBYXEFE-LLVKDONJSA-N 1 2 247.716 3.988 20 0 BHADLO CC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CC(F)F ZINC000501099236 529254909 /nfs/dbraw/zinc/25/49/09/529254909.db2.gz CRMUXEMIBYXEFE-NSHDSACASA-N 1 2 247.716 3.988 20 0 BHADLO CC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CC(F)F ZINC000501099236 529254908 /nfs/dbraw/zinc/25/49/08/529254908.db2.gz CRMUXEMIBYXEFE-NSHDSACASA-N 1 2 247.716 3.988 20 0 BHADLO CCC[N@@H+](CC(F)F)[C@H](C)c1ccccc1 ZINC000501104143 527939415 /nfs/dbraw/zinc/93/94/15/527939415.db2.gz YPXIHNNJCQFKET-LLVKDONJSA-N 1 2 227.298 3.725 20 0 BHADLO CCC[N@H+](CC(F)F)[C@H](C)c1ccccc1 ZINC000501104143 527939411 /nfs/dbraw/zinc/93/94/11/527939411.db2.gz YPXIHNNJCQFKET-LLVKDONJSA-N 1 2 227.298 3.725 20 0 BHADLO CCC[N@@H+](CC(F)F)[C@@H](C)c1ccccc1 ZINC000501104144 527937571 /nfs/dbraw/zinc/93/75/71/527937571.db2.gz YPXIHNNJCQFKET-NSHDSACASA-N 1 2 227.298 3.725 20 0 BHADLO CCC[N@H+](CC(F)F)[C@@H](C)c1ccccc1 ZINC000501104144 527937561 /nfs/dbraw/zinc/93/75/61/527937561.db2.gz YPXIHNNJCQFKET-NSHDSACASA-N 1 2 227.298 3.725 20 0 BHADLO CCc1ccc(C[N@@H+](CC(F)F)C(C)C)cc1 ZINC000501111399 529637661 /nfs/dbraw/zinc/63/76/61/529637661.db2.gz WORDHDXUVMCORT-UHFFFAOYSA-N 1 2 241.325 3.725 20 0 BHADLO CCc1ccc(C[N@H+](CC(F)F)C(C)C)cc1 ZINC000501111399 529637659 /nfs/dbraw/zinc/63/76/59/529637659.db2.gz WORDHDXUVMCORT-UHFFFAOYSA-N 1 2 241.325 3.725 20 0 BHADLO CCC[N@@H+](CC(F)F)[C@@H](C)c1cccc(F)c1 ZINC000501133505 527937972 /nfs/dbraw/zinc/93/79/72/527937972.db2.gz KIXUCYWJYIDVAS-JTQLQIEISA-N 1 2 245.288 3.864 20 0 BHADLO CCC[N@H+](CC(F)F)[C@@H](C)c1cccc(F)c1 ZINC000501133505 527937967 /nfs/dbraw/zinc/93/79/67/527937967.db2.gz KIXUCYWJYIDVAS-JTQLQIEISA-N 1 2 245.288 3.864 20 0 BHADLO CCC[N@@H+](CC(F)F)[C@H](C)c1cccc(F)c1 ZINC000501133506 527939447 /nfs/dbraw/zinc/93/94/47/527939447.db2.gz KIXUCYWJYIDVAS-SNVBAGLBSA-N 1 2 245.288 3.864 20 0 BHADLO CCC[N@H+](CC(F)F)[C@H](C)c1cccc(F)c1 ZINC000501133506 527939443 /nfs/dbraw/zinc/93/94/43/527939443.db2.gz KIXUCYWJYIDVAS-SNVBAGLBSA-N 1 2 245.288 3.864 20 0 BHADLO CC(C)(C)C[N@H+](Cc1ccccc1)CC(F)F ZINC000501138611 527683712 /nfs/dbraw/zinc/68/37/12/527683712.db2.gz GGTBKNZJLFFXCD-UHFFFAOYSA-N 1 2 241.325 3.800 20 0 BHADLO CC(C)(C)C[N@@H+](Cc1ccccc1)CC(F)F ZINC000501138611 527683711 /nfs/dbraw/zinc/68/37/11/527683711.db2.gz GGTBKNZJLFFXCD-UHFFFAOYSA-N 1 2 241.325 3.800 20 0 BHADLO CCC[N@H+](Cc1cccc(Cl)c1)CC(F)F ZINC000501138619 528141234 /nfs/dbraw/zinc/14/12/34/528141234.db2.gz GJQDSWUTKCSUJG-UHFFFAOYSA-N 1 2 247.716 3.817 20 0 BHADLO CCC[N@@H+](Cc1cccc(Cl)c1)CC(F)F ZINC000501138619 528141230 /nfs/dbraw/zinc/14/12/30/528141230.db2.gz GJQDSWUTKCSUJG-UHFFFAOYSA-N 1 2 247.716 3.817 20 0 BHADLO CC[C@H](C[N@@H+](CC)CC(F)F)c1ccccc1 ZINC000501957077 529334198 /nfs/dbraw/zinc/33/41/98/529334198.db2.gz RVUVBQPZQRYHEM-GFCCVEGCSA-N 1 2 241.325 3.767 20 0 BHADLO CC[C@H](C[N@H+](CC)CC(F)F)c1ccccc1 ZINC000501957077 529334195 /nfs/dbraw/zinc/33/41/95/529334195.db2.gz RVUVBQPZQRYHEM-GFCCVEGCSA-N 1 2 241.325 3.767 20 0 BHADLO CC[C@@H](C[N@@H+](CC)CC(F)F)c1ccccc1 ZINC000501957079 529472506 /nfs/dbraw/zinc/47/25/06/529472506.db2.gz RVUVBQPZQRYHEM-LBPRGKRZSA-N 1 2 241.325 3.767 20 0 BHADLO CC[C@@H](C[N@H+](CC)CC(F)F)c1ccccc1 ZINC000501957079 529472504 /nfs/dbraw/zinc/47/25/04/529472504.db2.gz RVUVBQPZQRYHEM-LBPRGKRZSA-N 1 2 241.325 3.767 20 0 BHADLO Cc1ccccc1C[N@H+]1CCCC[C@@H]1C(F)F ZINC000502776674 226330974 /nfs/dbraw/zinc/33/09/74/226330974.db2.gz TWNIODMSVNIJIR-CYBMUJFWSA-N 1 2 239.309 3.615 20 0 BHADLO Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C(F)F ZINC000502776674 226330973 /nfs/dbraw/zinc/33/09/73/226330973.db2.gz TWNIODMSVNIJIR-CYBMUJFWSA-N 1 2 239.309 3.615 20 0 BHADLO Cc1ccccc1C[N@H+]1CCCC[C@H]1C(F)F ZINC000502776675 226330734 /nfs/dbraw/zinc/33/07/34/226330734.db2.gz TWNIODMSVNIJIR-ZDUSSCGKSA-N 1 2 239.309 3.615 20 0 BHADLO Cc1ccccc1C[N@@H+]1CCCC[C@H]1C(F)F ZINC000502776675 226330733 /nfs/dbraw/zinc/33/07/33/226330733.db2.gz TWNIODMSVNIJIR-ZDUSSCGKSA-N 1 2 239.309 3.615 20 0 BHADLO Cc1cccc(C[N@H+]2CCCC[C@@H]2C(F)F)c1 ZINC000502789088 226330847 /nfs/dbraw/zinc/33/08/47/226330847.db2.gz JMHJKRNBXRZROE-CYBMUJFWSA-N 1 2 239.309 3.615 20 0 BHADLO Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(F)F)c1 ZINC000502789088 226330846 /nfs/dbraw/zinc/33/08/46/226330846.db2.gz JMHJKRNBXRZROE-CYBMUJFWSA-N 1 2 239.309 3.615 20 0 BHADLO Cc1cccc(C[N@H+]2CCCC[C@H]2C(F)F)c1 ZINC000502789089 226330983 /nfs/dbraw/zinc/33/09/83/226330983.db2.gz JMHJKRNBXRZROE-ZDUSSCGKSA-N 1 2 239.309 3.615 20 0 BHADLO Cc1cccc(C[N@@H+]2CCCC[C@H]2C(F)F)c1 ZINC000502789089 226330982 /nfs/dbraw/zinc/33/09/82/226330982.db2.gz JMHJKRNBXRZROE-ZDUSSCGKSA-N 1 2 239.309 3.615 20 0 BHADLO Cc1ccc(C[N@H+]2CCCC[C@@H]2C(F)F)cc1 ZINC000502804045 533920335 /nfs/dbraw/zinc/92/03/35/533920335.db2.gz RXZPOKGAVIKXMV-CYBMUJFWSA-N 1 2 239.309 3.615 20 0 BHADLO Cc1ccc(C[N@@H+]2CCCC[C@@H]2C(F)F)cc1 ZINC000502804045 533920323 /nfs/dbraw/zinc/92/03/23/533920323.db2.gz RXZPOKGAVIKXMV-CYBMUJFWSA-N 1 2 239.309 3.615 20 0 BHADLO Cc1ccc(C[N@H+]2CCCC[C@H]2C(F)F)cc1 ZINC000502804046 533923855 /nfs/dbraw/zinc/92/38/55/533923855.db2.gz RXZPOKGAVIKXMV-ZDUSSCGKSA-N 1 2 239.309 3.615 20 0 BHADLO Cc1ccc(C[N@@H+]2CCCC[C@H]2C(F)F)cc1 ZINC000502804046 533923845 /nfs/dbraw/zinc/92/38/45/533923845.db2.gz RXZPOKGAVIKXMV-ZDUSSCGKSA-N 1 2 239.309 3.615 20 0 BHADLO Cc1ccc([C@@H](C)[NH2+]C2(C(F)F)CC2)cc1C ZINC000503854570 226335715 /nfs/dbraw/zinc/33/57/15/226335715.db2.gz IOFMNTJBPXHESP-LLVKDONJSA-N 1 2 239.309 3.752 20 0 BHADLO Cc1ccc([C@H](C)[NH2+]C2(C(F)F)CC2)cc1C ZINC000503854579 226335792 /nfs/dbraw/zinc/33/57/92/226335792.db2.gz IOFMNTJBPXHESP-NSHDSACASA-N 1 2 239.309 3.752 20 0 BHADLO Cc1cc(C)cc([C@@H](C)[NH2+]C2(C(F)F)CC2)c1 ZINC000503883568 226336388 /nfs/dbraw/zinc/33/63/88/226336388.db2.gz DUOQJUZITVCEBL-LLVKDONJSA-N 1 2 239.309 3.752 20 0 BHADLO Cc1cc(C)cc([C@H](C)[NH2+]C2(C(F)F)CC2)c1 ZINC000503883569 226336202 /nfs/dbraw/zinc/33/62/02/226336202.db2.gz DUOQJUZITVCEBL-NSHDSACASA-N 1 2 239.309 3.752 20 0 BHADLO CCc1ccc([C@H](C)[NH2+]C2(C(F)F)CC2)cc1 ZINC000503888686 529721132 /nfs/dbraw/zinc/72/11/32/529721132.db2.gz VDPKLDVGGNUKHK-JTQLQIEISA-N 1 2 239.309 3.697 20 0 BHADLO CCc1ccc([C@@H](C)[NH2+]C2(C(F)F)CC2)cc1 ZINC000503888687 529706327 /nfs/dbraw/zinc/70/63/27/529706327.db2.gz VDPKLDVGGNUKHK-SNVBAGLBSA-N 1 2 239.309 3.697 20 0 BHADLO Cc1cccc([C@@H](C)[NH2+]C2(C(F)F)CC2)c1C ZINC000503893643 226336647 /nfs/dbraw/zinc/33/66/47/226336647.db2.gz PCRJRBLKWQSXGT-LLVKDONJSA-N 1 2 239.309 3.752 20 0 BHADLO Cc1cccc([C@H](C)[NH2+]C2(C(F)F)CC2)c1C ZINC000503893645 226336523 /nfs/dbraw/zinc/33/65/23/226336523.db2.gz PCRJRBLKWQSXGT-NSHDSACASA-N 1 2 239.309 3.752 20 0 BHADLO Cc1ccc(C)c([C@@H](C)[NH2+]C2(C(F)F)CC2)c1 ZINC000503911505 533711893 /nfs/dbraw/zinc/71/18/93/533711893.db2.gz PEJCIZQLEKURSW-LLVKDONJSA-N 1 2 239.309 3.752 20 0 BHADLO Cc1ccc(C)c([C@H](C)[NH2+]C2(C(F)F)CC2)c1 ZINC000503911507 226336794 /nfs/dbraw/zinc/33/67/94/226336794.db2.gz PEJCIZQLEKURSW-NSHDSACASA-N 1 2 239.309 3.752 20 0 BHADLO Cc1ccc([C@@H](C)[NH2+]C2(C(F)F)CC2)c(C)c1 ZINC000503915170 226336822 /nfs/dbraw/zinc/33/68/22/226336822.db2.gz ZCUDHQJRKZJBOU-LLVKDONJSA-N 1 2 239.309 3.752 20 0 BHADLO Cc1ccc([C@H](C)[NH2+]C2(C(F)F)CC2)c(C)c1 ZINC000503915171 226336810 /nfs/dbraw/zinc/33/68/10/226336810.db2.gz ZCUDHQJRKZJBOU-NSHDSACASA-N 1 2 239.309 3.752 20 0 BHADLO CCCCOc1cc(C)[nH+]c2ccc(OC)cc21 ZINC000504269392 528653148 /nfs/dbraw/zinc/65/31/48/528653148.db2.gz ATPMPVKGWMNZBW-UHFFFAOYSA-N 1 2 245.322 3.731 20 0 BHADLO FC(F)C1([NH2+]Cc2cccc3ccccc32)CC1 ZINC000504575964 226347372 /nfs/dbraw/zinc/34/73/72/226347372.db2.gz UGYPUAAINZKJQM-UHFFFAOYSA-N 1 2 247.288 3.727 20 0 BHADLO Cc1cc(OCCCCF)c2ccccc2[nH+]1 ZINC000504955221 226352247 /nfs/dbraw/zinc/35/22/47/226352247.db2.gz IXWUYOLPQOTUGF-UHFFFAOYSA-N 1 2 233.286 3.672 20 0 BHADLO Cc1cc(OCC[C@H](C)F)c2ccccc2[nH+]1 ZINC000504956910 226352157 /nfs/dbraw/zinc/35/21/57/226352157.db2.gz XXWIAZXZWKWPKF-JTQLQIEISA-N 1 2 233.286 3.670 20 0 BHADLO Cc1cc(OCC[C@@H](C)F)c2ccccc2[nH+]1 ZINC000504956911 226352138 /nfs/dbraw/zinc/35/21/38/226352138.db2.gz XXWIAZXZWKWPKF-SNVBAGLBSA-N 1 2 233.286 3.670 20 0 BHADLO Cc1cc(OCC[C@@H](C)F)c2cccc(C)c2[nH+]1 ZINC000505514926 226356185 /nfs/dbraw/zinc/35/61/85/226356185.db2.gz TWNZZVSNBPLERA-LLVKDONJSA-N 1 2 247.313 3.979 20 0 BHADLO Cc1cc(OCC[C@H](C)F)c2cccc(C)c2[nH+]1 ZINC000505514927 226356007 /nfs/dbraw/zinc/35/60/07/226356007.db2.gz TWNZZVSNBPLERA-NSHDSACASA-N 1 2 247.313 3.979 20 0 BHADLO Cc1cc(OCCCCF)c2cccc(C)c2[nH+]1 ZINC000505515591 226356162 /nfs/dbraw/zinc/35/61/62/226356162.db2.gz WINKECXDVGQHCI-UHFFFAOYSA-N 1 2 247.313 3.980 20 0 BHADLO CCc1cc(OCC[C@@H](C)F)c2ccccc2[nH+]1 ZINC000505576309 529569260 /nfs/dbraw/zinc/56/92/60/529569260.db2.gz ICDIIYSUYSDCFA-LLVKDONJSA-N 1 2 247.313 3.924 20 0 BHADLO CCc1cc(OCC[C@H](C)F)c2ccccc2[nH+]1 ZINC000505576359 529569175 /nfs/dbraw/zinc/56/91/75/529569175.db2.gz ICDIIYSUYSDCFA-NSHDSACASA-N 1 2 247.313 3.924 20 0 BHADLO CCc1cc(OCCCCF)c2ccccc2[nH+]1 ZINC000505576984 529569093 /nfs/dbraw/zinc/56/90/93/529569093.db2.gz OCQATRKTIMWBHV-UHFFFAOYSA-N 1 2 247.313 3.926 20 0 BHADLO C[C@@H](Nc1ccc(N2CCCC2)[nH+]c1)C(C)(C)C ZINC000505626623 533555087 /nfs/dbraw/zinc/55/50/87/533555087.db2.gz VHAWTUXBFJRPOW-GFCCVEGCSA-N 1 2 247.386 3.528 20 0 BHADLO C[C@H](Nc1ccc(N2CCCC2)[nH+]c1)C(C)(C)C ZINC000505626624 534025004 /nfs/dbraw/zinc/02/50/04/534025004.db2.gz VHAWTUXBFJRPOW-LBPRGKRZSA-N 1 2 247.386 3.528 20 0 BHADLO CCc1ccc(C[N@@H+](C)Cc2ccccc2F)o1 ZINC000505637216 529636253 /nfs/dbraw/zinc/63/62/53/529636253.db2.gz NISVFDBYMQEWNO-UHFFFAOYSA-N 1 2 247.313 3.613 20 0 BHADLO CCc1ccc(C[N@H+](C)Cc2ccccc2F)o1 ZINC000505637216 529636251 /nfs/dbraw/zinc/63/62/51/529636251.db2.gz NISVFDBYMQEWNO-UHFFFAOYSA-N 1 2 247.313 3.613 20 0 BHADLO Cc1cc(Nc2cccc(C(C)C)c2)nc(C)[nH+]1 ZINC000505669162 226358467 /nfs/dbraw/zinc/35/84/67/226358467.db2.gz DWJCKBOICBUNLU-UHFFFAOYSA-N 1 2 241.338 3.960 20 0 BHADLO Cc1cc(Nc2ccc(C(C)C)cc2)nc(C)[nH+]1 ZINC000505675085 226358347 /nfs/dbraw/zinc/35/83/47/226358347.db2.gz TZJKUJGTXZJHJU-UHFFFAOYSA-N 1 2 241.338 3.960 20 0 BHADLO CCCOc1cc(C)ccc1[NH2+]CCCCF ZINC000506263519 528623063 /nfs/dbraw/zinc/62/30/63/528623063.db2.gz XFUQKJLCTVAPBU-UHFFFAOYSA-N 1 2 239.334 3.945 20 0 BHADLO CCC(C)(C)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000506370918 528604893 /nfs/dbraw/zinc/60/48/93/528604893.db2.gz SMDINMXLILGBBF-UHFFFAOYSA-N 1 2 228.339 3.619 20 0 BHADLO c1cn(Cc2ccc(C3CCCCC3)cc2)c[nH+]1 ZINC000506372401 226363305 /nfs/dbraw/zinc/36/33/05/226363305.db2.gz ZWBCLCVZNYEFGJ-UHFFFAOYSA-N 1 2 240.350 3.979 20 0 BHADLO Cc1ccc(CSCCCCF)c(C)[nH+]1 ZINC000507115424 226365491 /nfs/dbraw/zinc/36/54/91/226365491.db2.gz GOZBZVLMUGQORG-UHFFFAOYSA-N 1 2 227.348 3.681 20 0 BHADLO CC[N@@H+](CC=C(C)C)Cc1c(F)cccc1F ZINC000507244735 528350162 /nfs/dbraw/zinc/35/01/62/528350162.db2.gz YCODCXAZMQONQP-UHFFFAOYSA-N 1 2 239.309 3.753 20 0 BHADLO CC[N@H+](CC=C(C)C)Cc1c(F)cccc1F ZINC000507244735 528350155 /nfs/dbraw/zinc/35/01/55/528350155.db2.gz YCODCXAZMQONQP-UHFFFAOYSA-N 1 2 239.309 3.753 20 0 BHADLO Cc1cc(C)cc([N@H+](C)C[C@H]2CCO[C@H](C)C2)c1 ZINC000507855130 226371426 /nfs/dbraw/zinc/37/14/26/226371426.db2.gz KFQDQXSFAFLVCU-CABCVRRESA-N 1 2 247.382 3.555 20 0 BHADLO Cc1cc(C)cc([N@@H+](C)C[C@H]2CCO[C@H](C)C2)c1 ZINC000507855130 226371425 /nfs/dbraw/zinc/37/14/25/226371425.db2.gz KFQDQXSFAFLVCU-CABCVRRESA-N 1 2 247.382 3.555 20 0 BHADLO Cc1cc(C)cc([N@H+](C)C[C@H]2CCO[C@@H](C)C2)c1 ZINC000507855133 226371291 /nfs/dbraw/zinc/37/12/91/226371291.db2.gz KFQDQXSFAFLVCU-GJZGRUSLSA-N 1 2 247.382 3.555 20 0 BHADLO Cc1cc(C)cc([N@@H+](C)C[C@H]2CCO[C@@H](C)C2)c1 ZINC000507855133 226371290 /nfs/dbraw/zinc/37/12/90/226371290.db2.gz KFQDQXSFAFLVCU-GJZGRUSLSA-N 1 2 247.382 3.555 20 0 BHADLO Cc1cc(C)cc([N@H+](C)C[C@@H]2CCO[C@H](C)C2)c1 ZINC000507855134 226371245 /nfs/dbraw/zinc/37/12/45/226371245.db2.gz KFQDQXSFAFLVCU-HUUCEWRRSA-N 1 2 247.382 3.555 20 0 BHADLO Cc1cc(C)cc([N@@H+](C)C[C@@H]2CCO[C@H](C)C2)c1 ZINC000507855134 226371244 /nfs/dbraw/zinc/37/12/44/226371244.db2.gz KFQDQXSFAFLVCU-HUUCEWRRSA-N 1 2 247.382 3.555 20 0 BHADLO Cc1cc(C)cc([N@H+](C)C[C@@H]2CCO[C@@H](C)C2)c1 ZINC000507855135 226371416 /nfs/dbraw/zinc/37/14/16/226371416.db2.gz KFQDQXSFAFLVCU-LSDHHAIUSA-N 1 2 247.382 3.555 20 0 BHADLO Cc1cc(C)cc([N@@H+](C)C[C@@H]2CCO[C@@H](C)C2)c1 ZINC000507855135 226371415 /nfs/dbraw/zinc/37/14/15/226371415.db2.gz KFQDQXSFAFLVCU-LSDHHAIUSA-N 1 2 247.382 3.555 20 0 BHADLO C/C(=C\c1ccccc1)C[N@H+]1CCC=C(F)C1 ZINC000508622564 527533139 /nfs/dbraw/zinc/53/31/39/527533139.db2.gz OZWUCBBODCOQOD-JLHYYAGUSA-N 1 2 231.314 3.649 20 0 BHADLO C/C(=C\c1ccccc1)C[N@@H+]1CCC=C(F)C1 ZINC000508622564 527533136 /nfs/dbraw/zinc/53/31/36/527533136.db2.gz OZWUCBBODCOQOD-JLHYYAGUSA-N 1 2 231.314 3.649 20 0 BHADLO C/C(=C/c1ccccc1)C[N@H+]1CCC=C(F)C1 ZINC000508622568 527507109 /nfs/dbraw/zinc/50/71/09/527507109.db2.gz OZWUCBBODCOQOD-RAXLEYEMSA-N 1 2 231.314 3.649 20 0 BHADLO C/C(=C/c1ccccc1)C[N@@H+]1CCC=C(F)C1 ZINC000508622568 527507108 /nfs/dbraw/zinc/50/71/08/527507108.db2.gz OZWUCBBODCOQOD-RAXLEYEMSA-N 1 2 231.314 3.649 20 0 BHADLO COCCCC[N@@H+](CC1CCC1)c1ccccc1 ZINC000509005498 533256518 /nfs/dbraw/zinc/25/65/18/533256518.db2.gz CPRYYOSCSOONCL-UHFFFAOYSA-N 1 2 247.382 3.720 20 0 BHADLO COCCCC[N@H+](CC1CCC1)c1ccccc1 ZINC000509005498 533256510 /nfs/dbraw/zinc/25/65/10/533256510.db2.gz CPRYYOSCSOONCL-UHFFFAOYSA-N 1 2 247.382 3.720 20 0 BHADLO FCCCC[N@@H+](CC1CC1)c1ccccc1 ZINC000509005561 229260992 /nfs/dbraw/zinc/26/09/92/229260992.db2.gz DHJQGPVDHAVJNS-UHFFFAOYSA-N 1 2 221.319 3.653 20 0 BHADLO FCCCC[N@H+](CC1CC1)c1ccccc1 ZINC000509005561 229260988 /nfs/dbraw/zinc/26/09/88/229260988.db2.gz DHJQGPVDHAVJNS-UHFFFAOYSA-N 1 2 221.319 3.653 20 0 BHADLO COCCCC[N@@H+](CC(C)(C)C)c1ccccc1 ZINC000509155333 533255537 /nfs/dbraw/zinc/25/55/37/533255537.db2.gz POEXQLVKWJBUDU-UHFFFAOYSA-N 1 2 249.398 3.966 20 0 BHADLO COCCCC[N@H+](CC(C)(C)C)c1ccccc1 ZINC000509155333 533255535 /nfs/dbraw/zinc/25/55/35/533255535.db2.gz POEXQLVKWJBUDU-UHFFFAOYSA-N 1 2 249.398 3.966 20 0 BHADLO CCOC1CC(C[N@@H+](C)c2cc(C)ccc2C)C1 ZINC000509311407 528497541 /nfs/dbraw/zinc/49/75/41/528497541.db2.gz VOABQAIDQNZUIF-UHFFFAOYSA-N 1 2 247.382 3.555 20 0 BHADLO CCOC1CC(C[N@H+](C)c2cc(C)ccc2C)C1 ZINC000509311407 528497537 /nfs/dbraw/zinc/49/75/37/528497537.db2.gz VOABQAIDQNZUIF-UHFFFAOYSA-N 1 2 247.382 3.555 20 0 BHADLO CCOC1CC(C[N@@H+](C)c2cccc(C)c2C)C1 ZINC000509312765 528496718 /nfs/dbraw/zinc/49/67/18/528496718.db2.gz YFVRIJFLFXQLHB-UHFFFAOYSA-N 1 2 247.382 3.555 20 0 BHADLO CCOC1CC(C[N@H+](C)c2cccc(C)c2C)C1 ZINC000509312765 528496715 /nfs/dbraw/zinc/49/67/15/528496715.db2.gz YFVRIJFLFXQLHB-UHFFFAOYSA-N 1 2 247.382 3.555 20 0 BHADLO CCOC1CC(C[N@@H+](C)c2cc(C)cc(C)c2)C1 ZINC000509312935 528496422 /nfs/dbraw/zinc/49/64/22/528496422.db2.gz ZKJSVZCMMLNIIK-UHFFFAOYSA-N 1 2 247.382 3.555 20 0 BHADLO CCOC1CC(C[N@H+](C)c2cc(C)cc(C)c2)C1 ZINC000509312935 528496418 /nfs/dbraw/zinc/49/64/18/528496418.db2.gz ZKJSVZCMMLNIIK-UHFFFAOYSA-N 1 2 247.382 3.555 20 0 BHADLO CC[N@@H+](CCCCOC)c1cc(C)cc(C)c1 ZINC000509342320 528432899 /nfs/dbraw/zinc/43/28/99/528432899.db2.gz LTWDBOMOQLTNRP-UHFFFAOYSA-N 1 2 235.371 3.556 20 0 BHADLO CC[N@H+](CCCCOC)c1cc(C)cc(C)c1 ZINC000509342320 528432896 /nfs/dbraw/zinc/43/28/96/528432896.db2.gz LTWDBOMOQLTNRP-UHFFFAOYSA-N 1 2 235.371 3.556 20 0 BHADLO CC[N@@H+](CCCCOC)c1cc(C)ccc1C ZINC000509345751 528432132 /nfs/dbraw/zinc/43/21/32/528432132.db2.gz YVJCRQBLOSTQSK-UHFFFAOYSA-N 1 2 235.371 3.556 20 0 BHADLO CC[N@H+](CCCCOC)c1cc(C)ccc1C ZINC000509345751 528432128 /nfs/dbraw/zinc/43/21/28/528432128.db2.gz YVJCRQBLOSTQSK-UHFFFAOYSA-N 1 2 235.371 3.556 20 0 BHADLO COCCCC[N@H+]1CCCCCc2ccccc21 ZINC000509348846 229271323 /nfs/dbraw/zinc/27/13/23/229271323.db2.gz UZVDVGMUSPZDKP-UHFFFAOYSA-N 1 2 247.382 3.646 20 0 BHADLO COCCCC[N@@H+]1CCCCCc2ccccc21 ZINC000509348846 229271321 /nfs/dbraw/zinc/27/13/21/229271321.db2.gz UZVDVGMUSPZDKP-UHFFFAOYSA-N 1 2 247.382 3.646 20 0 BHADLO COCCCC[N@H+](c1cccc(C)c1)C(C)C ZINC000509358321 229271745 /nfs/dbraw/zinc/27/17/45/229271745.db2.gz NZXSCIMENQGWRV-UHFFFAOYSA-N 1 2 235.371 3.636 20 0 BHADLO COCCCC[N@@H+](c1cccc(C)c1)C(C)C ZINC000509358321 229271739 /nfs/dbraw/zinc/27/17/39/229271739.db2.gz NZXSCIMENQGWRV-UHFFFAOYSA-N 1 2 235.371 3.636 20 0 BHADLO COCCCC[N@H+](c1ccccc1)C1CCCC1 ZINC000509364246 229272141 /nfs/dbraw/zinc/27/21/41/229272141.db2.gz DQMNJYFGGVDDKT-UHFFFAOYSA-N 1 2 247.382 3.862 20 0 BHADLO COCCCC[N@@H+](c1ccccc1)C1CCCC1 ZINC000509364246 229272136 /nfs/dbraw/zinc/27/21/36/229272136.db2.gz DQMNJYFGGVDDKT-UHFFFAOYSA-N 1 2 247.382 3.862 20 0 BHADLO FCCCC[N@H+]1CCCCc2ccccc21 ZINC000509369845 229271765 /nfs/dbraw/zinc/27/17/65/229271765.db2.gz DSXPBPPTIVYDIL-UHFFFAOYSA-N 1 2 221.319 3.579 20 0 BHADLO FCCCC[N@@H+]1CCCCc2ccccc21 ZINC000509369845 229271761 /nfs/dbraw/zinc/27/17/61/229271761.db2.gz DSXPBPPTIVYDIL-UHFFFAOYSA-N 1 2 221.319 3.579 20 0 BHADLO CC[N@@H+](CCCCF)c1ccccc1C ZINC000509373945 528432371 /nfs/dbraw/zinc/43/23/71/528432371.db2.gz SFKJGJOIMNSYDK-UHFFFAOYSA-N 1 2 209.308 3.571 20 0 BHADLO CC[N@H+](CCCCF)c1ccccc1C ZINC000509373945 528432366 /nfs/dbraw/zinc/43/23/66/528432366.db2.gz SFKJGJOIMNSYDK-UHFFFAOYSA-N 1 2 209.308 3.571 20 0 BHADLO CCOC1CC(C[N@@H+](CC)c2ccccc2C)C1 ZINC000509375187 528496270 /nfs/dbraw/zinc/49/62/70/528496270.db2.gz XIFNQGPDUFZAHO-UHFFFAOYSA-N 1 2 247.382 3.636 20 0 BHADLO CCOC1CC(C[N@H+](CC)c2ccccc2C)C1 ZINC000509375187 528496266 /nfs/dbraw/zinc/49/62/66/528496266.db2.gz XIFNQGPDUFZAHO-UHFFFAOYSA-N 1 2 247.382 3.636 20 0 BHADLO CCOC1CC(C[N@@H+](CC)c2cccc(C)c2)C1 ZINC000509377616 528496924 /nfs/dbraw/zinc/49/69/24/528496924.db2.gz DZHBBRVWDJLJRY-UHFFFAOYSA-N 1 2 247.382 3.636 20 0 BHADLO CCOC1CC(C[N@H+](CC)c2cccc(C)c2)C1 ZINC000509377616 528496919 /nfs/dbraw/zinc/49/69/19/528496919.db2.gz DZHBBRVWDJLJRY-UHFFFAOYSA-N 1 2 247.382 3.636 20 0 BHADLO CC[N@@H+](CCCCOC)c1cccc(C)c1C ZINC000509378402 528432790 /nfs/dbraw/zinc/43/27/90/528432790.db2.gz JKQIVEFJIZTOKC-UHFFFAOYSA-N 1 2 235.371 3.556 20 0 BHADLO CC[N@H+](CCCCOC)c1cccc(C)c1C ZINC000509378402 528432781 /nfs/dbraw/zinc/43/27/81/528432781.db2.gz JKQIVEFJIZTOKC-UHFFFAOYSA-N 1 2 235.371 3.556 20 0 BHADLO CC[N@@H+](CCCCF)c1cccc(C)c1 ZINC000509378847 528433025 /nfs/dbraw/zinc/43/30/25/528433025.db2.gz LGRRTBSVJUBHLR-UHFFFAOYSA-N 1 2 209.308 3.571 20 0 BHADLO CC[N@H+](CCCCF)c1cccc(C)c1 ZINC000509378847 528433020 /nfs/dbraw/zinc/43/30/20/528433020.db2.gz LGRRTBSVJUBHLR-UHFFFAOYSA-N 1 2 209.308 3.571 20 0 BHADLO COCCCC[N@@H+](CC(C)C)c1ccccc1 ZINC000509390839 533256054 /nfs/dbraw/zinc/25/60/54/533256054.db2.gz WLBAZXWVTQTEGL-UHFFFAOYSA-N 1 2 235.371 3.576 20 0 BHADLO COCCCC[N@H+](CC(C)C)c1ccccc1 ZINC000509390839 533256049 /nfs/dbraw/zinc/25/60/49/533256049.db2.gz WLBAZXWVTQTEGL-UHFFFAOYSA-N 1 2 235.371 3.576 20 0 BHADLO CCOC1CC(C[N@H+](c2ccccc2)C(C)C)C1 ZINC000509392115 528496443 /nfs/dbraw/zinc/49/64/43/528496443.db2.gz HECXCLJADKYUEK-UHFFFAOYSA-N 1 2 247.382 3.717 20 0 BHADLO CCOC1CC(C[N@@H+](c2ccccc2)C(C)C)C1 ZINC000509392115 528496441 /nfs/dbraw/zinc/49/64/41/528496441.db2.gz HECXCLJADKYUEK-UHFFFAOYSA-N 1 2 247.382 3.717 20 0 BHADLO CC(C)[N@@H+](CCCCF)c1ccccc1 ZINC000509394141 528879358 /nfs/dbraw/zinc/87/93/58/528879358.db2.gz VSCXXNNXXLPAOM-UHFFFAOYSA-N 1 2 209.308 3.651 20 0 BHADLO CC(C)[N@H+](CCCCF)c1ccccc1 ZINC000509394141 528879350 /nfs/dbraw/zinc/87/93/50/528879350.db2.gz VSCXXNNXXLPAOM-UHFFFAOYSA-N 1 2 209.308 3.651 20 0 BHADLO CCCC(CCC)C(=O)Nc1ccc(C)[nH+]c1C ZINC000510472364 527998252 /nfs/dbraw/zinc/99/82/52/527998252.db2.gz FPRUMFKYBNIJJK-UHFFFAOYSA-N 1 2 248.370 3.853 20 0 BHADLO Cc1ccc(N[C@@H]2CCC[C@H]2CCCF)c[nH+]1 ZINC000510736364 229304124 /nfs/dbraw/zinc/30/41/24/229304124.db2.gz PULACRLAVXRCKX-GXTWGEPZSA-N 1 2 236.334 3.720 20 0 BHADLO Cc1ccc(N[C@H]2CCC[C@H]2CCCF)c[nH+]1 ZINC000510736367 229304689 /nfs/dbraw/zinc/30/46/89/229304689.db2.gz PULACRLAVXRCKX-JSGCOSHPSA-N 1 2 236.334 3.720 20 0 BHADLO Cc1ccc(N[C@H]2CCC[C@@H]2CCCF)c[nH+]1 ZINC000510736368 229304520 /nfs/dbraw/zinc/30/45/20/229304520.db2.gz PULACRLAVXRCKX-OCCSQVGLSA-N 1 2 236.334 3.720 20 0 BHADLO Cc1ccc(N[C@@H]2CCC[C@@H]2CCCF)c[nH+]1 ZINC000510736369 229304446 /nfs/dbraw/zinc/30/44/46/229304446.db2.gz PULACRLAVXRCKX-TZMCWYRMSA-N 1 2 236.334 3.720 20 0 BHADLO CC(C)[C@H]([NH2+][C@H]1CC[C@H]1C1CCC1)C(F)(F)F ZINC000510927661 529126591 /nfs/dbraw/zinc/12/65/91/529126591.db2.gz GQMGTGSLAUEDRU-SRVKXCTJSA-N 1 2 249.320 3.742 20 0 BHADLO CC(C)[C@H]([NH2+][C@@H]1CC[C@H]1C1CCC1)C(F)(F)F ZINC000510927662 529126082 /nfs/dbraw/zinc/12/60/82/529126082.db2.gz GQMGTGSLAUEDRU-TUAOUCFPSA-N 1 2 249.320 3.742 20 0 BHADLO CC(C)[C@H]([NH2+][C@@H]1CC[C@@H]1C1CCC1)C(F)(F)F ZINC000510927663 529126132 /nfs/dbraw/zinc/12/61/32/529126132.db2.gz GQMGTGSLAUEDRU-UTUOFQBUSA-N 1 2 249.320 3.742 20 0 BHADLO CC(C)[C@H]([NH2+][C@H]1CC[C@@H]1C1CCC1)C(F)(F)F ZINC000510927664 529126918 /nfs/dbraw/zinc/12/69/18/529126918.db2.gz GQMGTGSLAUEDRU-WOPDTQHZSA-N 1 2 249.320 3.742 20 0 BHADLO C[N@@H+](CCc1ccc2ccccc2c1)CC(F)F ZINC000511579055 529933579 /nfs/dbraw/zinc/93/35/79/529933579.db2.gz HAEVHTULNMMBFZ-UHFFFAOYSA-N 1 2 249.304 3.579 20 0 BHADLO C[N@H+](CCc1ccc2ccccc2c1)CC(F)F ZINC000511579055 529933577 /nfs/dbraw/zinc/93/35/77/529933577.db2.gz HAEVHTULNMMBFZ-UHFFFAOYSA-N 1 2 249.304 3.579 20 0 BHADLO CC[C@@H](F)C[N@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000511608748 529552231 /nfs/dbraw/zinc/55/22/31/529552231.db2.gz DVKJZDOKNDKPHD-CHWSQXEVSA-N 1 2 241.737 3.835 20 0 BHADLO CC[C@@H](F)C[N@@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000511608748 529552227 /nfs/dbraw/zinc/55/22/27/529552227.db2.gz DVKJZDOKNDKPHD-CHWSQXEVSA-N 1 2 241.737 3.835 20 0 BHADLO CC[C@@H](F)C[N@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000511608749 529552526 /nfs/dbraw/zinc/55/25/26/529552526.db2.gz DVKJZDOKNDKPHD-OLZOCXBDSA-N 1 2 241.737 3.835 20 0 BHADLO CC[C@@H](F)C[N@@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000511608749 529552523 /nfs/dbraw/zinc/55/25/23/529552523.db2.gz DVKJZDOKNDKPHD-OLZOCXBDSA-N 1 2 241.737 3.835 20 0 BHADLO CC[C@H](F)C[N@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000511608750 529438159 /nfs/dbraw/zinc/43/81/59/529438159.db2.gz DVKJZDOKNDKPHD-QWHCGFSZSA-N 1 2 241.737 3.835 20 0 BHADLO CC[C@H](F)C[N@@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000511608750 529438158 /nfs/dbraw/zinc/43/81/58/529438158.db2.gz DVKJZDOKNDKPHD-QWHCGFSZSA-N 1 2 241.737 3.835 20 0 BHADLO CC[C@H](F)C[N@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000511608751 529438081 /nfs/dbraw/zinc/43/80/81/529438081.db2.gz DVKJZDOKNDKPHD-STQMWFEESA-N 1 2 241.737 3.835 20 0 BHADLO CC[C@H](F)C[N@@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000511608751 529438079 /nfs/dbraw/zinc/43/80/79/529438079.db2.gz DVKJZDOKNDKPHD-STQMWFEESA-N 1 2 241.737 3.835 20 0 BHADLO CCC[N@H+](Cc1ccc(F)c(C)c1)CC(F)F ZINC000512590731 528136719 /nfs/dbraw/zinc/13/67/19/528136719.db2.gz RDPLNUPWGZQNGV-UHFFFAOYSA-N 1 2 245.288 3.611 20 0 BHADLO CCC[N@@H+](Cc1ccc(F)c(C)c1)CC(F)F ZINC000512590731 528136716 /nfs/dbraw/zinc/13/67/16/528136716.db2.gz RDPLNUPWGZQNGV-UHFFFAOYSA-N 1 2 245.288 3.611 20 0 BHADLO CCC[N@H+](Cc1ccc(F)cc1C)CC(F)F ZINC000512595346 528140033 /nfs/dbraw/zinc/14/00/33/528140033.db2.gz NRXQPICWWZRFGG-UHFFFAOYSA-N 1 2 245.288 3.611 20 0 BHADLO CCC[N@@H+](Cc1ccc(F)cc1C)CC(F)F ZINC000512595346 528140028 /nfs/dbraw/zinc/14/00/28/528140028.db2.gz NRXQPICWWZRFGG-UHFFFAOYSA-N 1 2 245.288 3.611 20 0 BHADLO CCC[N@H+](Cc1ccc(C)c(F)c1)CC(F)F ZINC000512616078 528135499 /nfs/dbraw/zinc/13/54/99/528135499.db2.gz AYOGKQDVAUXSBU-UHFFFAOYSA-N 1 2 245.288 3.611 20 0 BHADLO CCC[N@@H+](Cc1ccc(C)c(F)c1)CC(F)F ZINC000512616078 528135493 /nfs/dbraw/zinc/13/54/93/528135493.db2.gz AYOGKQDVAUXSBU-UHFFFAOYSA-N 1 2 245.288 3.611 20 0 BHADLO Cc1ccc(C[NH2+]C2(C(F)F)CCCCC2)o1 ZINC000512857005 229374953 /nfs/dbraw/zinc/37/49/53/229374953.db2.gz PGBIWAFZIMOLKY-UHFFFAOYSA-N 1 2 243.297 3.646 20 0 BHADLO Cc1ccoc1C[NH2+]C1(C(F)F)CCCCC1 ZINC000512861701 229376534 /nfs/dbraw/zinc/37/65/34/229376534.db2.gz PYTVPHFXXPYJHV-UHFFFAOYSA-N 1 2 243.297 3.646 20 0 BHADLO c1ccc(N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)[nH+]c1 ZINC000512980346 229380313 /nfs/dbraw/zinc/38/03/13/229380313.db2.gz VILJOKQROKXHCE-BFHYXJOUSA-N 1 2 230.355 3.852 20 0 BHADLO c1ccc(N[C@@H]2CC[C@H]3CCCC[C@H]3C2)[nH+]c1 ZINC000512980347 229381084 /nfs/dbraw/zinc/38/10/84/229381084.db2.gz VILJOKQROKXHCE-HZSPNIEDSA-N 1 2 230.355 3.852 20 0 BHADLO c1ccc(N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)[nH+]c1 ZINC000512980348 229381031 /nfs/dbraw/zinc/38/10/31/229381031.db2.gz VILJOKQROKXHCE-MELADBBJSA-N 1 2 230.355 3.852 20 0 BHADLO c1ccc(N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)[nH+]c1 ZINC000512980349 229380450 /nfs/dbraw/zinc/38/04/50/229380450.db2.gz VILJOKQROKXHCE-MGPQQGTHSA-N 1 2 230.355 3.852 20 0 BHADLO Cc1ccccc1[C@H]1C[C@H](Nc2cccc[nH+]2)C1 ZINC000513071623 229386608 /nfs/dbraw/zinc/38/66/08/229386608.db2.gz WRSMLWKNCKUWOR-HDJSIYSDSA-N 1 2 238.334 3.748 20 0 BHADLO Cc1cc(C)cc(C[N@H+]2CCC[C@@H]2C(F)F)c1 ZINC000513182879 229392635 /nfs/dbraw/zinc/39/26/35/229392635.db2.gz HPXDBYZTFCIFRZ-CYBMUJFWSA-N 1 2 239.309 3.533 20 0 BHADLO Cc1cc(C)cc(C[N@@H+]2CCC[C@@H]2C(F)F)c1 ZINC000513182879 229392630 /nfs/dbraw/zinc/39/26/30/229392630.db2.gz HPXDBYZTFCIFRZ-CYBMUJFWSA-N 1 2 239.309 3.533 20 0 BHADLO Cc1ccc(C[N@H+]2CCC[C@@H]2C(F)F)cc1C ZINC000513215769 533927748 /nfs/dbraw/zinc/92/77/48/533927748.db2.gz QZHDKGFKAOWEHD-CYBMUJFWSA-N 1 2 239.309 3.533 20 0 BHADLO Cc1ccc(C[N@@H+]2CCC[C@@H]2C(F)F)cc1C ZINC000513215769 533927745 /nfs/dbraw/zinc/92/77/45/533927745.db2.gz QZHDKGFKAOWEHD-CYBMUJFWSA-N 1 2 239.309 3.533 20 0 BHADLO Cc1ccc(C)c(C[N@H+]2CCC[C@@H]2C(F)F)c1 ZINC000513224272 533668001 /nfs/dbraw/zinc/66/80/01/533668001.db2.gz SREWDGNBPDKZFI-CYBMUJFWSA-N 1 2 239.309 3.533 20 0 BHADLO Cc1ccc(C)c(C[N@@H+]2CCC[C@@H]2C(F)F)c1 ZINC000513224272 533667994 /nfs/dbraw/zinc/66/79/94/533667994.db2.gz SREWDGNBPDKZFI-CYBMUJFWSA-N 1 2 239.309 3.533 20 0 BHADLO CCC[N@H+](Cc1cc(C)cc(C)c1)CC(F)F ZINC000514008650 388485175 /nfs/dbraw/zinc/48/51/75/388485175.db2.gz ONDZGKDXDGTRHI-UHFFFAOYSA-N 1 2 241.325 3.781 20 0 BHADLO CCC[N@@H+](Cc1cc(C)cc(C)c1)CC(F)F ZINC000514008650 388485173 /nfs/dbraw/zinc/48/51/73/388485173.db2.gz ONDZGKDXDGTRHI-UHFFFAOYSA-N 1 2 241.325 3.781 20 0 BHADLO CCC[N@@H+](C/C=C/c1ccccc1)CC(F)F ZINC000514008885 388485282 /nfs/dbraw/zinc/48/52/82/388485282.db2.gz UFABGLTUEWJDCK-RMKNXTFCSA-N 1 2 239.309 3.677 20 0 BHADLO CCC[N@H+](C/C=C/c1ccccc1)CC(F)F ZINC000514008885 388485278 /nfs/dbraw/zinc/48/52/78/388485278.db2.gz UFABGLTUEWJDCK-RMKNXTFCSA-N 1 2 239.309 3.677 20 0 BHADLO CCC[N@@H+](C/C=C\c1ccccc1)CC(F)F ZINC000514008886 388485140 /nfs/dbraw/zinc/48/51/40/388485140.db2.gz UFABGLTUEWJDCK-TWGQIWQCSA-N 1 2 239.309 3.677 20 0 BHADLO CCC[N@H+](C/C=C\c1ccccc1)CC(F)F ZINC000514008886 388485138 /nfs/dbraw/zinc/48/51/38/388485138.db2.gz UFABGLTUEWJDCK-TWGQIWQCSA-N 1 2 239.309 3.677 20 0 BHADLO CC(C)=CC[N@H+](C)Cc1c(F)cccc1Cl ZINC000514486380 385374294 /nfs/dbraw/zinc/37/42/94/385374294.db2.gz XVBIVGAQTXYLBB-UHFFFAOYSA-N 1 2 241.737 3.877 20 0 BHADLO CC(C)=CC[N@@H+](C)Cc1c(F)cccc1Cl ZINC000514486380 385374290 /nfs/dbraw/zinc/37/42/90/385374290.db2.gz XVBIVGAQTXYLBB-UHFFFAOYSA-N 1 2 241.737 3.877 20 0 BHADLO CC(C)c1ccc(CCNc2cccc[nH+]2)cc1 ZINC000514625089 398326368 /nfs/dbraw/zinc/32/63/68/398326368.db2.gz DEPVZOUDSWCTEN-UHFFFAOYSA-N 1 2 240.350 3.860 20 0 BHADLO C[C@@H]1CCN(c2[nH+]ccc3cc(F)ccc32)[C@@H]1C ZINC000514724753 387279754 /nfs/dbraw/zinc/27/97/54/387279754.db2.gz QTNVORBZTGWJHS-GHMZBOCLSA-N 1 2 244.313 3.609 20 0 BHADLO C[C@@H]1CCN(c2[nH+]ccc3cc(F)ccc32)[C@H]1C ZINC000514724754 387279740 /nfs/dbraw/zinc/27/97/40/387279740.db2.gz QTNVORBZTGWJHS-MNOVXSKESA-N 1 2 244.313 3.609 20 0 BHADLO C[C@H]1CCN(c2[nH+]ccc3cc(F)ccc32)[C@H]1C ZINC000514724755 387280713 /nfs/dbraw/zinc/28/07/13/387280713.db2.gz QTNVORBZTGWJHS-QWRGUYRKSA-N 1 2 244.313 3.609 20 0 BHADLO C[C@@H]1[C@@H](C)CCN1c1[nH+]ccc2cc(F)ccc21 ZINC000514724756 387280576 /nfs/dbraw/zinc/28/05/76/387280576.db2.gz QTNVORBZTGWJHS-WDEREUQCSA-N 1 2 244.313 3.609 20 0 BHADLO c1ccc2[nH+]c(CCCSCC3CC3)[nH]c2c1 ZINC000515174184 387343254 /nfs/dbraw/zinc/34/32/54/387343254.db2.gz WLADCOONGNNLRO-UHFFFAOYSA-N 1 2 246.379 3.639 20 0 BHADLO C[N@@H+](CCC1CCCCCC1)CC(F)F ZINC000515332059 387363691 /nfs/dbraw/zinc/36/36/91/387363691.db2.gz NJSOLIAYDKUHEM-UHFFFAOYSA-N 1 2 219.319 3.544 20 0 BHADLO C[N@H+](CCC1CCCCCC1)CC(F)F ZINC000515332059 387363685 /nfs/dbraw/zinc/36/36/85/387363685.db2.gz NJSOLIAYDKUHEM-UHFFFAOYSA-N 1 2 219.319 3.544 20 0 BHADLO CSc1ccc(N[C@@H]2CCCC23CC3)[nH+]c1 ZINC000516088655 256764908 /nfs/dbraw/zinc/76/49/08/256764908.db2.gz IGZQHTJSYNRXFK-LLVKDONJSA-N 1 2 234.368 3.548 20 0 BHADLO CSc1ccc(N[C@H]2CCCC23CC3)[nH+]c1 ZINC000516088656 387457036 /nfs/dbraw/zinc/45/70/36/387457036.db2.gz IGZQHTJSYNRXFK-NSHDSACASA-N 1 2 234.368 3.548 20 0 BHADLO CCCCSCCc1[nH+]cc(C)cc1C ZINC000516291591 387498119 /nfs/dbraw/zinc/49/81/19/387498119.db2.gz XKRLNLZGNONDEW-UHFFFAOYSA-N 1 2 223.385 3.774 20 0 BHADLO Cc1cc(N[C@H]2CCC[C@H]2CCC(C)C)nc[nH+]1 ZINC000517647992 388556456 /nfs/dbraw/zinc/55/64/56/388556456.db2.gz VPUXFTHTBATQBU-KBPBESRZSA-N 1 2 247.386 3.802 20 0 BHADLO Cc1cc(N[C@H]2CCC[C@@H]2CCC(C)C)nc[nH+]1 ZINC000517647993 388556575 /nfs/dbraw/zinc/55/65/75/388556575.db2.gz VPUXFTHTBATQBU-KGLIPLIRSA-N 1 2 247.386 3.802 20 0 BHADLO Cc1cc(N[C@@H]2CCC[C@H]2CCC(C)C)nc[nH+]1 ZINC000517647994 388556609 /nfs/dbraw/zinc/55/66/09/388556609.db2.gz VPUXFTHTBATQBU-UONOGXRCSA-N 1 2 247.386 3.802 20 0 BHADLO Cc1cc(N[C@@H]2CCC[C@@H]2CCC(C)C)nc[nH+]1 ZINC000517647995 388556645 /nfs/dbraw/zinc/55/66/45/388556645.db2.gz VPUXFTHTBATQBU-ZIAGYGMSSA-N 1 2 247.386 3.802 20 0 BHADLO CC(C)(C)c1ccc(C[NH2+]CC(C)(F)F)cc1 ZINC000518730485 384235315 /nfs/dbraw/zinc/23/53/15/384235315.db2.gz HHZWKUCYSGAKJH-UHFFFAOYSA-N 1 2 241.325 3.729 20 0 BHADLO CCC(CC)N(CC)c1cc[nH+]c(C(C)C)n1 ZINC000518824812 491120425 /nfs/dbraw/zinc/12/04/25/491120425.db2.gz OXCISYKQNRUWJZ-UHFFFAOYSA-N 1 2 235.375 3.615 20 0 BHADLO CC(C)=CC[N@H+](C)[C@H](C)c1c(F)cccc1F ZINC000518829214 386689548 /nfs/dbraw/zinc/68/95/48/386689548.db2.gz DKHAARZZIAXUMT-LLVKDONJSA-N 1 2 239.309 3.924 20 0 BHADLO CC(C)=CC[N@@H+](C)[C@H](C)c1c(F)cccc1F ZINC000518829214 386689542 /nfs/dbraw/zinc/68/95/42/386689542.db2.gz DKHAARZZIAXUMT-LLVKDONJSA-N 1 2 239.309 3.924 20 0 BHADLO CC(C)=CC[N@H+](C)[C@@H](C)c1c(F)cccc1F ZINC000518829215 386689353 /nfs/dbraw/zinc/68/93/53/386689353.db2.gz DKHAARZZIAXUMT-NSHDSACASA-N 1 2 239.309 3.924 20 0 BHADLO CC(C)=CC[N@@H+](C)[C@@H](C)c1c(F)cccc1F ZINC000518829215 386689342 /nfs/dbraw/zinc/68/93/42/386689342.db2.gz DKHAARZZIAXUMT-NSHDSACASA-N 1 2 239.309 3.924 20 0 BHADLO CC1(CNc2ccc(-c3ccccc3)c[nH+]2)CC1 ZINC000518866333 256637576 /nfs/dbraw/zinc/63/75/76/256637576.db2.gz BXRSVEBRWAGPLM-UHFFFAOYSA-N 1 2 238.334 3.961 20 0 BHADLO CN(CC1CCCC1)c1ccc2ccccc2[nH+]1 ZINC000520102243 384189348 /nfs/dbraw/zinc/18/93/48/384189348.db2.gz NFLCLADJAYWBGP-UHFFFAOYSA-N 1 2 240.350 3.861 20 0 BHADLO CC1C[NH+](Cc2ccc(F)c(Cl)c2Cl)C1 ZINC000520433727 256672850 /nfs/dbraw/zinc/67/28/50/256672850.db2.gz CQMUZOYSLYEDEY-UHFFFAOYSA-N 1 2 248.128 3.584 20 0 BHADLO Cc1ccc(C)c(C[N@@H+](CC(F)F)C2CC2)c1 ZINC000520746879 386800811 /nfs/dbraw/zinc/80/08/11/386800811.db2.gz IRNKRONCSZIXTH-UHFFFAOYSA-N 1 2 239.309 3.533 20 0 BHADLO Cc1ccc(C)c(C[N@H+](CC(F)F)C2CC2)c1 ZINC000520746879 386800805 /nfs/dbraw/zinc/80/08/05/386800805.db2.gz IRNKRONCSZIXTH-UHFFFAOYSA-N 1 2 239.309 3.533 20 0 BHADLO CCc1ccc(C[N@H+]2CCC[C@@H]2C(F)F)s1 ZINC000520893209 262711603 /nfs/dbraw/zinc/71/16/03/262711603.db2.gz OXJJJNUDPITROL-LLVKDONJSA-N 1 2 245.338 3.540 20 0 BHADLO CCc1ccc(C[N@@H+]2CCC[C@@H]2C(F)F)s1 ZINC000520893209 262711601 /nfs/dbraw/zinc/71/16/01/262711601.db2.gz OXJJJNUDPITROL-LLVKDONJSA-N 1 2 245.338 3.540 20 0 BHADLO CCC[C@@H]1CCCC[C@H]1Nc1cc(C)[nH+]cn1 ZINC000521932523 388667552 /nfs/dbraw/zinc/66/75/52/388667552.db2.gz UBGBKCCSCCBNRB-CHWSQXEVSA-N 1 2 233.359 3.556 20 0 BHADLO CCC[C@@H]1CCCC[C@@H]1Nc1cc(C)[nH+]cn1 ZINC000521932524 388667317 /nfs/dbraw/zinc/66/73/17/388667317.db2.gz UBGBKCCSCCBNRB-OLZOCXBDSA-N 1 2 233.359 3.556 20 0 BHADLO CCC[C@H]1CCCC[C@H]1Nc1cc(C)[nH+]cn1 ZINC000521932525 388667657 /nfs/dbraw/zinc/66/76/57/388667657.db2.gz UBGBKCCSCCBNRB-QWHCGFSZSA-N 1 2 233.359 3.556 20 0 BHADLO CCC[C@H]1CCCC[C@@H]1Nc1cc(C)[nH+]cn1 ZINC000521932526 388667713 /nfs/dbraw/zinc/66/77/13/388667713.db2.gz UBGBKCCSCCBNRB-STQMWFEESA-N 1 2 233.359 3.556 20 0 BHADLO Cc1cc(NC(CC(C)C)CC(C)C)nc[nH+]1 ZINC000521972877 398104238 /nfs/dbraw/zinc/10/42/38/398104238.db2.gz QPWRXTPUKVEKFP-UHFFFAOYSA-N 1 2 235.375 3.658 20 0 BHADLO C[C@@H](Nc1c[nH]c[nH+]1)[C@@H](C)c1ccc(Cl)cc1 ZINC000522044868 566260671 /nfs/dbraw/zinc/26/06/71/566260671.db2.gz QBFKKVKSUZWFOA-NXEZZACHSA-N 1 2 249.745 3.667 20 0 BHADLO C[C@H](c1ccc(Cl)cc1)[C@H](C)Nc1c[nH]c[nH+]1 ZINC000522044869 566260398 /nfs/dbraw/zinc/26/03/98/566260398.db2.gz QBFKKVKSUZWFOA-UWVGGRQHSA-N 1 2 249.745 3.667 20 0 BHADLO C[C@@H](Nc1c[nH]c[nH+]1)[C@H](C)c1ccc(Cl)cc1 ZINC000522044870 566260318 /nfs/dbraw/zinc/26/03/18/566260318.db2.gz QBFKKVKSUZWFOA-VHSXEESVSA-N 1 2 249.745 3.667 20 0 BHADLO C[C@H](Nc1c[nH]c[nH+]1)[C@@H](C)c1ccc(Cl)cc1 ZINC000522044871 566260511 /nfs/dbraw/zinc/26/05/11/566260511.db2.gz QBFKKVKSUZWFOA-ZJUUUORDSA-N 1 2 249.745 3.667 20 0 BHADLO CCC[N@@H+](CC(F)F)C[C@@H](C)c1ccccc1 ZINC000522663738 388771372 /nfs/dbraw/zinc/77/13/72/388771372.db2.gz WZCCIKPDGFNMIV-GFCCVEGCSA-N 1 2 241.325 3.767 20 0 BHADLO CCC[N@H+](CC(F)F)C[C@@H](C)c1ccccc1 ZINC000522663738 388771368 /nfs/dbraw/zinc/77/13/68/388771368.db2.gz WZCCIKPDGFNMIV-GFCCVEGCSA-N 1 2 241.325 3.767 20 0 BHADLO CCC[N@@H+](CC(F)F)C[C@H](C)c1ccccc1 ZINC000522663739 388771588 /nfs/dbraw/zinc/77/15/88/388771588.db2.gz WZCCIKPDGFNMIV-LBPRGKRZSA-N 1 2 241.325 3.767 20 0 BHADLO CCC[N@H+](CC(F)F)C[C@H](C)c1ccccc1 ZINC000522663739 388771580 /nfs/dbraw/zinc/77/15/80/388771580.db2.gz WZCCIKPDGFNMIV-LBPRGKRZSA-N 1 2 241.325 3.767 20 0 BHADLO CN(CC(C)(C)C)c1ccc2ccccc2[nH+]1 ZINC000524165432 388348114 /nfs/dbraw/zinc/34/81/14/388348114.db2.gz GNSVPAFPKUHNMN-UHFFFAOYSA-N 1 2 228.339 3.717 20 0 BHADLO c1[nH+]c(SCC2CCCC2)n2ccccc12 ZINC000524289666 388354084 /nfs/dbraw/zinc/35/40/84/388354084.db2.gz MPRYBYDVMMEFHA-UHFFFAOYSA-N 1 2 232.352 3.617 20 0 BHADLO CCC[C@@H]1CCCC[C@H]1Nc1cc[nH+]c(C)n1 ZINC000524687130 259675097 /nfs/dbraw/zinc/67/50/97/259675097.db2.gz UVLKXTXCWSBNIX-CHWSQXEVSA-N 1 2 233.359 3.556 20 0 BHADLO CCC[C@@H]1CCCC[C@@H]1Nc1cc[nH+]c(C)n1 ZINC000524687131 388374103 /nfs/dbraw/zinc/37/41/03/388374103.db2.gz UVLKXTXCWSBNIX-OLZOCXBDSA-N 1 2 233.359 3.556 20 0 BHADLO CCC[C@H]1CCCC[C@H]1Nc1cc[nH+]c(C)n1 ZINC000524687132 388374917 /nfs/dbraw/zinc/37/49/17/388374917.db2.gz UVLKXTXCWSBNIX-QWHCGFSZSA-N 1 2 233.359 3.556 20 0 BHADLO CCC[C@H]1CCCC[C@@H]1Nc1cc[nH+]c(C)n1 ZINC000524687133 388374822 /nfs/dbraw/zinc/37/48/22/388374822.db2.gz UVLKXTXCWSBNIX-STQMWFEESA-N 1 2 233.359 3.556 20 0 BHADLO C[C@H](C[N@@H+](C)CC(F)F)c1cccc(Cl)c1 ZINC000526115492 323229227 /nfs/dbraw/zinc/22/92/27/323229227.db2.gz LTAWMPHRZKTECO-SECBINFHSA-N 1 2 247.716 3.640 20 0 BHADLO C[C@H](C[N@H+](C)CC(F)F)c1cccc(Cl)c1 ZINC000526115492 323229224 /nfs/dbraw/zinc/22/92/24/323229224.db2.gz LTAWMPHRZKTECO-SECBINFHSA-N 1 2 247.716 3.640 20 0 BHADLO C[C@@H](C[N@@H+](C)CC(F)F)c1cccc(Cl)c1 ZINC000526115493 323229240 /nfs/dbraw/zinc/22/92/40/323229240.db2.gz LTAWMPHRZKTECO-VIFPVBQESA-N 1 2 247.716 3.640 20 0 BHADLO C[C@@H](C[N@H+](C)CC(F)F)c1cccc(Cl)c1 ZINC000526115493 323229237 /nfs/dbraw/zinc/22/92/37/323229237.db2.gz LTAWMPHRZKTECO-VIFPVBQESA-N 1 2 247.716 3.640 20 0 BHADLO Cc1ccc(NC[C@@H](C)c2ccc(F)cc2)c[nH+]1 ZINC000526119085 323230517 /nfs/dbraw/zinc/23/05/17/323230517.db2.gz YMAATKAHJQJQQB-LLVKDONJSA-N 1 2 244.313 3.745 20 0 BHADLO Cc1ccc(NC[C@H](C)c2ccc(F)cc2)c[nH+]1 ZINC000526119086 323230650 /nfs/dbraw/zinc/23/06/50/323230650.db2.gz YMAATKAHJQJQQB-NSHDSACASA-N 1 2 244.313 3.745 20 0 BHADLO Cc1c[nH+]cc(NC[C@@H](C)c2ccc(F)cc2)c1 ZINC000527354994 386413775 /nfs/dbraw/zinc/41/37/75/386413775.db2.gz YSFFXSKFLSGHJZ-GFCCVEGCSA-N 1 2 244.313 3.745 20 0 BHADLO Cc1c[nH+]cc(NC[C@H](C)c2ccc(F)cc2)c1 ZINC000527354995 386415360 /nfs/dbraw/zinc/41/53/60/386415360.db2.gz YSFFXSKFLSGHJZ-LBPRGKRZSA-N 1 2 244.313 3.745 20 0 BHADLO CCC(F)(F)C(C)(C)CNc1cccc[nH+]1 ZINC000527639721 387648659 /nfs/dbraw/zinc/64/86/59/387648659.db2.gz LIOYQYIHRUOGCH-UHFFFAOYSA-N 1 2 228.286 3.565 20 0 BHADLO CCC(F)(F)C(C)(C)CNc1ccc(C)[nH+]c1 ZINC000527675395 387655988 /nfs/dbraw/zinc/65/59/88/387655988.db2.gz MKJKCSSELHKJMR-UHFFFAOYSA-N 1 2 242.313 3.873 20 0 BHADLO CCC(F)(F)C(C)(C)CNc1ccc[nH+]c1C ZINC000527681187 387656884 /nfs/dbraw/zinc/65/68/84/387656884.db2.gz LYAKGIVFGBMFJG-UHFFFAOYSA-N 1 2 242.313 3.873 20 0 BHADLO CCC(F)(F)C(C)(C)CNc1c[nH+]ccc1C ZINC000527683827 387658180 /nfs/dbraw/zinc/65/81/80/387658180.db2.gz WDKPYKSEGUXHDZ-UHFFFAOYSA-N 1 2 242.313 3.873 20 0 BHADLO CCC(F)(F)C(C)(C)CNc1c[nH+]cc(C)c1 ZINC000527684749 387658711 /nfs/dbraw/zinc/65/87/11/387658711.db2.gz ZQUJTHQZLPJLLN-UHFFFAOYSA-N 1 2 242.313 3.873 20 0 BHADLO CC(C)[C@H]([NH2+][C@H](C)[C@@H]1C[C@H]1C1CC1)C(F)(F)F ZINC000527697436 262879122 /nfs/dbraw/zinc/87/91/22/262879122.db2.gz QLGYHSSNYFUJEM-QTKMDUPCSA-N 1 2 249.320 3.598 20 0 BHADLO CC(C)[C@H]([NH2+][C@@H](C)[C@@H]1C[C@H]1C1CC1)C(F)(F)F ZINC000527697438 387688023 /nfs/dbraw/zinc/68/80/23/387688023.db2.gz QLGYHSSNYFUJEM-VGDYDELISA-N 1 2 249.320 3.598 20 0 BHADLO CC(C)c1cc(Cl)ccc1NCc1[nH]cc[nH+]1 ZINC000527782621 323689966 /nfs/dbraw/zinc/68/99/66/323689966.db2.gz HVXHISBUJFVFRF-UHFFFAOYSA-N 1 2 249.745 3.799 20 0 BHADLO c1ccc2c(c1)cc[nH+]c2N1CCC2(CCC2)C1 ZINC000527920061 387790496 /nfs/dbraw/zinc/79/04/96/387790496.db2.gz GPNRNQHXINFIOF-UHFFFAOYSA-N 1 2 238.334 3.615 20 0 BHADLO c1ccc2c(c1)cc[nH+]c2N1CCCC2(CC2)C1 ZINC000527967406 387811369 /nfs/dbraw/zinc/81/13/69/387811369.db2.gz QULGIWRXKJVLGX-UHFFFAOYSA-N 1 2 238.334 3.615 20 0 BHADLO CC1=C[C@@H](C)CN(c2[nH+]ccc3ccccc32)C1 ZINC000527995579 387806495 /nfs/dbraw/zinc/80/64/95/387806495.db2.gz NWGOXFBKRBBXFE-GFCCVEGCSA-N 1 2 238.334 3.637 20 0 BHADLO CC1=C[C@H](C)CN(c2[nH+]ccc3ccccc32)C1 ZINC000527995580 387805182 /nfs/dbraw/zinc/80/51/82/387805182.db2.gz NWGOXFBKRBBXFE-LBPRGKRZSA-N 1 2 238.334 3.637 20 0 BHADLO CC1=C(C)CN(c2[nH+]ccc3ccccc32)CC1 ZINC000527997671 387806337 /nfs/dbraw/zinc/80/63/37/387806337.db2.gz VSRTTZSNLNTQNS-UHFFFAOYSA-N 1 2 238.334 3.781 20 0 BHADLO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ncccc2F)o1 ZINC000528036113 323744117 /nfs/dbraw/zinc/74/41/17/323744117.db2.gz NVCIQHHMNHRKPL-MNOVXSKESA-N 1 2 248.301 3.534 20 0 BHADLO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ncccc2F)o1 ZINC000528036114 323743542 /nfs/dbraw/zinc/74/35/42/323743542.db2.gz NVCIQHHMNHRKPL-QWRGUYRKSA-N 1 2 248.301 3.534 20 0 BHADLO C/C(Cl)=C/C[N@H+](C)Cc1ccc(F)cc1F ZINC000528352285 387907117 /nfs/dbraw/zinc/90/71/17/387907117.db2.gz SWDPBFNWGCUUOL-UITAMQMPSA-N 1 2 245.700 3.539 20 0 BHADLO C/C(Cl)=C/C[N@@H+](C)Cc1ccc(F)cc1F ZINC000528352285 387907112 /nfs/dbraw/zinc/90/71/12/387907112.db2.gz SWDPBFNWGCUUOL-UITAMQMPSA-N 1 2 245.700 3.539 20 0 BHADLO C/C(Cl)=C\C[N@H+](C)Cc1ccc(F)cc1F ZINC000528352304 387905206 /nfs/dbraw/zinc/90/52/06/387905206.db2.gz SWDPBFNWGCUUOL-WEVVVXLNSA-N 1 2 245.700 3.539 20 0 BHADLO C/C(Cl)=C\C[N@@H+](C)Cc1ccc(F)cc1F ZINC000528352304 387905201 /nfs/dbraw/zinc/90/52/01/387905201.db2.gz SWDPBFNWGCUUOL-WEVVVXLNSA-N 1 2 245.700 3.539 20 0 BHADLO CC[C@@](C)([NH2+]CC1CC(C)(C)C1)C(F)(F)F ZINC000528416426 388521238 /nfs/dbraw/zinc/52/12/38/388521238.db2.gz MHVAFUQHJFOVRB-LLVKDONJSA-N 1 2 237.309 3.743 20 0 BHADLO CC[C@](C)([NH2+]CC1CC(C)(C)C1)C(F)(F)F ZINC000528416428 388521214 /nfs/dbraw/zinc/52/12/14/388521214.db2.gz MHVAFUQHJFOVRB-NSHDSACASA-N 1 2 237.309 3.743 20 0 BHADLO C/C(Cl)=C\C[N@H+](C)Cc1c(F)cccc1F ZINC000528512929 388517756 /nfs/dbraw/zinc/51/77/56/388517756.db2.gz OOFUOAWJDUTYGG-RMKNXTFCSA-N 1 2 245.700 3.539 20 0 BHADLO C/C(Cl)=C\C[N@@H+](C)Cc1c(F)cccc1F ZINC000528512929 388517755 /nfs/dbraw/zinc/51/77/55/388517755.db2.gz OOFUOAWJDUTYGG-RMKNXTFCSA-N 1 2 245.700 3.539 20 0 BHADLO C/C(Cl)=C/C[N@H+](C)Cc1c(F)cccc1F ZINC000528512931 388518653 /nfs/dbraw/zinc/51/86/53/388518653.db2.gz OOFUOAWJDUTYGG-TWGQIWQCSA-N 1 2 245.700 3.539 20 0 BHADLO C/C(Cl)=C/C[N@@H+](C)Cc1c(F)cccc1F ZINC000528512931 388518650 /nfs/dbraw/zinc/51/86/50/388518650.db2.gz OOFUOAWJDUTYGG-TWGQIWQCSA-N 1 2 245.700 3.539 20 0 BHADLO C/C(Cl)=C\C[N@H+]1Cc2ccc(Cl)cc2C1 ZINC000528522611 388542942 /nfs/dbraw/zinc/54/29/42/388542942.db2.gz STHKWKAEIOCPQW-RUDMXATFSA-N 1 2 242.149 3.798 20 0 BHADLO C/C(Cl)=C\C[N@@H+]1Cc2ccc(Cl)cc2C1 ZINC000528522611 388542941 /nfs/dbraw/zinc/54/29/41/388542941.db2.gz STHKWKAEIOCPQW-RUDMXATFSA-N 1 2 242.149 3.798 20 0 BHADLO C/C(Cl)=C/C[N@H+]1Cc2ccc(Cl)cc2C1 ZINC000528522617 388542666 /nfs/dbraw/zinc/54/26/66/388542666.db2.gz STHKWKAEIOCPQW-WTKPLQERSA-N 1 2 242.149 3.798 20 0 BHADLO C/C(Cl)=C/C[N@@H+]1Cc2ccc(Cl)cc2C1 ZINC000528522617 388542663 /nfs/dbraw/zinc/54/26/63/388542663.db2.gz STHKWKAEIOCPQW-WTKPLQERSA-N 1 2 242.149 3.798 20 0 BHADLO Cc1cccc([C@H]([NH2+]CC(F)F)C(C)C)c1 ZINC000528763625 388569397 /nfs/dbraw/zinc/56/93/97/388569397.db2.gz HWNFNPMZOGKWLF-CYBMUJFWSA-N 1 2 227.298 3.547 20 0 BHADLO Cc1cccc([C@@H]([NH2+]CC(F)F)C(C)C)c1 ZINC000528763628 388569093 /nfs/dbraw/zinc/56/90/93/388569093.db2.gz HWNFNPMZOGKWLF-ZDUSSCGKSA-N 1 2 227.298 3.547 20 0 BHADLO CC[C@@H]([NH2+]CC(F)F)c1cc(C)ccc1C ZINC000528798620 388574772 /nfs/dbraw/zinc/57/47/72/388574772.db2.gz GRLGFJAWPKMWJA-GFCCVEGCSA-N 1 2 227.298 3.609 20 0 BHADLO CC[C@H]([NH2+]CC(F)F)c1cc(C)ccc1C ZINC000528798623 388574919 /nfs/dbraw/zinc/57/49/19/388574919.db2.gz GRLGFJAWPKMWJA-LBPRGKRZSA-N 1 2 227.298 3.609 20 0 BHADLO C[N@@H+](Cc1c(F)ccc(F)c1Cl)C1CCC1 ZINC000529533965 324328280 /nfs/dbraw/zinc/32/82/80/324328280.db2.gz XNIBEYWQXABEDF-UHFFFAOYSA-N 1 2 245.700 3.603 20 0 BHADLO C[N@H+](Cc1c(F)ccc(F)c1Cl)C1CCC1 ZINC000529533965 324328275 /nfs/dbraw/zinc/32/82/75/324328275.db2.gz XNIBEYWQXABEDF-UHFFFAOYSA-N 1 2 245.700 3.603 20 0 BHADLO FC(F)(F)c1sccc1C[N@@H+]1CC=CCC1 ZINC000529539519 324330764 /nfs/dbraw/zinc/33/07/64/324330764.db2.gz BEHYEYDQHDVBON-UHFFFAOYSA-N 1 2 247.285 3.529 20 0 BHADLO FC(F)(F)c1sccc1C[N@H+]1CC=CCC1 ZINC000529539519 324330758 /nfs/dbraw/zinc/33/07/58/324330758.db2.gz BEHYEYDQHDVBON-UHFFFAOYSA-N 1 2 247.285 3.529 20 0 BHADLO Cc1ccc(N[C@H](C)C2CC(F)(F)C2)c(C)[nH+]1 ZINC000529543701 324333265 /nfs/dbraw/zinc/33/32/65/324333265.db2.gz MMUCLQXJVBMSPG-SECBINFHSA-N 1 2 240.297 3.544 20 0 BHADLO Cc1ccc(N[C@@H](C)C2CC(F)(F)C2)c(C)[nH+]1 ZINC000529543703 324333395 /nfs/dbraw/zinc/33/33/95/324333395.db2.gz MMUCLQXJVBMSPG-VIFPVBQESA-N 1 2 240.297 3.544 20 0 BHADLO FC1(CNc2ccc(-c3ccccc3)c[nH+]2)CC1 ZINC000530474580 384109142 /nfs/dbraw/zinc/10/91/42/384109142.db2.gz NHKGFRSFJKQJMY-UHFFFAOYSA-N 1 2 242.297 3.663 20 0 BHADLO CC(C)c1cc(N2[C@@H](C)C[C@@H]2C)nc(C(C)C)[nH+]1 ZINC000530484942 384125034 /nfs/dbraw/zinc/12/50/34/384125034.db2.gz HVJGUDUOLILMJO-RYUDHWBXSA-N 1 2 247.386 3.711 20 0 BHADLO CC(C)c1cc(N2[C@H](C)C[C@@H]2C)nc(C(C)C)[nH+]1 ZINC000530484943 384125087 /nfs/dbraw/zinc/12/50/87/384125087.db2.gz HVJGUDUOLILMJO-TXEJJXNPSA-N 1 2 247.386 3.711 20 0 BHADLO CC(C)c1cc(N2[C@H](C)C[C@H]2C)nc(C(C)C)[nH+]1 ZINC000530484944 384125148 /nfs/dbraw/zinc/12/51/48/384125148.db2.gz HVJGUDUOLILMJO-VXGBXAGGSA-N 1 2 247.386 3.711 20 0 BHADLO CCC[C@@H](C)N(C)c1cc(C(F)(F)F)cc[nH+]1 ZINC000530934241 385178085 /nfs/dbraw/zinc/17/80/85/385178085.db2.gz QRELBGNQHNOMGX-SECBINFHSA-N 1 2 246.276 3.725 20 0 BHADLO CCC[C@H](C)N(C)c1cc(C(F)(F)F)cc[nH+]1 ZINC000530934242 322899482 /nfs/dbraw/zinc/89/94/82/322899482.db2.gz QRELBGNQHNOMGX-VIFPVBQESA-N 1 2 246.276 3.725 20 0 BHADLO CCCCCSCc1cn2ccccc2[nH+]1 ZINC000531233556 323086185 /nfs/dbraw/zinc/08/61/85/323086185.db2.gz OZWCRKMYIRIUDI-UHFFFAOYSA-N 1 2 234.368 3.758 20 0 BHADLO C[C@@H](N(C)c1cc[nH+]c2ccncc21)C(C)(C)C ZINC000531253029 347878009 /nfs/dbraw/zinc/87/80/09/347878009.db2.gz YDIFEVNHEQWFRR-LLVKDONJSA-N 1 2 243.354 3.501 20 0 BHADLO C[C@H](N(C)c1cc[nH+]c2ccncc21)C(C)(C)C ZINC000531253030 347878033 /nfs/dbraw/zinc/87/80/33/347878033.db2.gz YDIFEVNHEQWFRR-NSHDSACASA-N 1 2 243.354 3.501 20 0 BHADLO CCC1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000531853613 323117597 /nfs/dbraw/zinc/11/75/97/323117597.db2.gz DTYMWBHBFLWQJB-UHFFFAOYSA-N 1 2 247.386 3.535 20 0 BHADLO Cc1cc(C)cc(C[N@H+](CC(F)F)C(C)C)c1 ZINC000532013559 323167251 /nfs/dbraw/zinc/16/72/51/323167251.db2.gz WTFMDHBYJDNNJD-UHFFFAOYSA-N 1 2 241.325 3.779 20 0 BHADLO Cc1cc(C)cc(C[N@@H+](CC(F)F)C(C)C)c1 ZINC000532013559 323167250 /nfs/dbraw/zinc/16/72/50/323167250.db2.gz WTFMDHBYJDNNJD-UHFFFAOYSA-N 1 2 241.325 3.779 20 0 BHADLO Cc1ccc(C)c(C[N@H+](CC(F)F)C(C)C)c1 ZINC000532267941 323212770 /nfs/dbraw/zinc/21/27/70/323212770.db2.gz CQQCDOTYHJEDAS-UHFFFAOYSA-N 1 2 241.325 3.779 20 0 BHADLO Cc1ccc(C)c(C[N@@H+](CC(F)F)C(C)C)c1 ZINC000532267941 323212768 /nfs/dbraw/zinc/21/27/68/323212768.db2.gz CQQCDOTYHJEDAS-UHFFFAOYSA-N 1 2 241.325 3.779 20 0 BHADLO Cc1cc(N2CCCCC2)c2cccc(F)c2[nH+]1 ZINC000532463371 323266996 /nfs/dbraw/zinc/26/69/96/323266996.db2.gz FXDIMFGCYWRIOM-UHFFFAOYSA-N 1 2 244.313 3.673 20 0 BHADLO CC(C)[N@H+](Cc1cccc(Cl)c1)CC(F)F ZINC000532622943 323279385 /nfs/dbraw/zinc/27/93/85/323279385.db2.gz SIXGWJJAQTYARR-UHFFFAOYSA-N 1 2 247.716 3.816 20 0 BHADLO CC(C)[N@@H+](Cc1cccc(Cl)c1)CC(F)F ZINC000532622943 323279382 /nfs/dbraw/zinc/27/93/82/323279382.db2.gz SIXGWJJAQTYARR-UHFFFAOYSA-N 1 2 247.716 3.816 20 0 BHADLO Cc1cccc(C)c1C[N@H+](CC(F)F)C(C)C ZINC000532623992 323278626 /nfs/dbraw/zinc/27/86/26/323278626.db2.gz UPDKVIJRFVAZNA-UHFFFAOYSA-N 1 2 241.325 3.779 20 0 BHADLO Cc1cccc(C)c1C[N@@H+](CC(F)F)C(C)C ZINC000532623992 323278623 /nfs/dbraw/zinc/27/86/23/323278623.db2.gz UPDKVIJRFVAZNA-UHFFFAOYSA-N 1 2 241.325 3.779 20 0 BHADLO CC[N@@H+](CCCOC(C)C)c1ccccc1C ZINC000532657659 323285674 /nfs/dbraw/zinc/28/56/74/323285674.db2.gz QNNTUGXRTQQSQQ-UHFFFAOYSA-N 1 2 235.371 3.636 20 0 BHADLO CC[N@H+](CCCOC(C)C)c1ccccc1C ZINC000532657659 323285672 /nfs/dbraw/zinc/28/56/72/323285672.db2.gz QNNTUGXRTQQSQQ-UHFFFAOYSA-N 1 2 235.371 3.636 20 0 BHADLO CC(C)CCc1ccc(NCc2[nH]cc[nH+]2)cc1 ZINC000532728023 323290478 /nfs/dbraw/zinc/29/04/78/323290478.db2.gz GDSLPSHCHGXOCJ-UHFFFAOYSA-N 1 2 243.354 3.610 20 0 BHADLO CC(C)c1cc(N2CCCCC2)nc(C(C)C)[nH+]1 ZINC000532853498 323302413 /nfs/dbraw/zinc/30/24/13/323302413.db2.gz ZWFOECSYEUYDRE-UHFFFAOYSA-N 1 2 247.386 3.714 20 0 BHADLO CC(C)CCc1ccccc1NCc1[nH]cc[nH+]1 ZINC000532889203 323344842 /nfs/dbraw/zinc/34/48/42/323344842.db2.gz LGVUJERMHQICMN-UHFFFAOYSA-N 1 2 243.354 3.610 20 0 BHADLO CC[N@@H+](C[C@@H]1CCCOC1)c1cc(C)cc(C)c1 ZINC000533028146 387921224 /nfs/dbraw/zinc/92/12/24/387921224.db2.gz NWHPBACEWNOBNI-HNNXBMFYSA-N 1 2 247.382 3.556 20 0 BHADLO CC[N@H+](C[C@@H]1CCCOC1)c1cc(C)cc(C)c1 ZINC000533028146 387921218 /nfs/dbraw/zinc/92/12/18/387921218.db2.gz NWHPBACEWNOBNI-HNNXBMFYSA-N 1 2 247.382 3.556 20 0 BHADLO CC[N@@H+](C[C@H]1CCCOC1)c1cc(C)cc(C)c1 ZINC000533028147 387920301 /nfs/dbraw/zinc/92/03/01/387920301.db2.gz NWHPBACEWNOBNI-OAHLLOKOSA-N 1 2 247.382 3.556 20 0 BHADLO CC[N@H+](C[C@H]1CCCOC1)c1cc(C)cc(C)c1 ZINC000533028147 387920294 /nfs/dbraw/zinc/92/02/94/387920294.db2.gz NWHPBACEWNOBNI-OAHLLOKOSA-N 1 2 247.382 3.556 20 0 BHADLO CC[N@@H+](CC1CCOCC1)c1cc(C)ccc1C ZINC000533028643 387920810 /nfs/dbraw/zinc/92/08/10/387920810.db2.gz MNDUBVJWGSECHU-UHFFFAOYSA-N 1 2 247.382 3.556 20 0 BHADLO CC[N@H+](CC1CCOCC1)c1cc(C)ccc1C ZINC000533028643 387920805 /nfs/dbraw/zinc/92/08/05/387920805.db2.gz MNDUBVJWGSECHU-UHFFFAOYSA-N 1 2 247.382 3.556 20 0 BHADLO CCC[N@@H+](CCc1ccc(C)cc1)CC(F)F ZINC000533269652 388040994 /nfs/dbraw/zinc/04/09/94/388040994.db2.gz LFDYTSBOUKXZKP-UHFFFAOYSA-N 1 2 241.325 3.515 20 0 BHADLO CCC[N@H+](CCc1ccc(C)cc1)CC(F)F ZINC000533269652 388040990 /nfs/dbraw/zinc/04/09/90/388040990.db2.gz LFDYTSBOUKXZKP-UHFFFAOYSA-N 1 2 241.325 3.515 20 0 BHADLO CC[N@@H+](C[C@@H]1CCCOC1)c1cc(C)ccc1C ZINC000533352635 388061128 /nfs/dbraw/zinc/06/11/28/388061128.db2.gz WYDXRIZNGFYDTI-HNNXBMFYSA-N 1 2 247.382 3.556 20 0 BHADLO CC[N@H+](C[C@@H]1CCCOC1)c1cc(C)ccc1C ZINC000533352635 388061126 /nfs/dbraw/zinc/06/11/26/388061126.db2.gz WYDXRIZNGFYDTI-HNNXBMFYSA-N 1 2 247.382 3.556 20 0 BHADLO CC[N@@H+](C[C@H]1CCCOC1)c1cc(C)ccc1C ZINC000533352636 388060955 /nfs/dbraw/zinc/06/09/55/388060955.db2.gz WYDXRIZNGFYDTI-OAHLLOKOSA-N 1 2 247.382 3.556 20 0 BHADLO CC[N@H+](C[C@H]1CCCOC1)c1cc(C)ccc1C ZINC000533352636 388060952 /nfs/dbraw/zinc/06/09/52/388060952.db2.gz WYDXRIZNGFYDTI-OAHLLOKOSA-N 1 2 247.382 3.556 20 0 BHADLO Cc1cccc([N@H+](CC2CCOCC2)C(C)C)c1 ZINC000533365551 398188617 /nfs/dbraw/zinc/18/86/17/398188617.db2.gz HBYXJHSLACCHEN-UHFFFAOYSA-N 1 2 247.382 3.636 20 0 BHADLO Cc1cccc([N@@H+](CC2CCOCC2)C(C)C)c1 ZINC000533365551 398188613 /nfs/dbraw/zinc/18/86/13/398188613.db2.gz HBYXJHSLACCHEN-UHFFFAOYSA-N 1 2 247.382 3.636 20 0 BHADLO CC[N@@H+](CC1CCOCC1)c1cccc(C)c1C ZINC000533484855 384365662 /nfs/dbraw/zinc/36/56/62/384365662.db2.gz BGQVRDQYTVOYCG-UHFFFAOYSA-N 1 2 247.382 3.556 20 0 BHADLO CC[N@H+](CC1CCOCC1)c1cccc(C)c1C ZINC000533484855 384365658 /nfs/dbraw/zinc/36/56/58/384365658.db2.gz BGQVRDQYTVOYCG-UHFFFAOYSA-N 1 2 247.382 3.556 20 0 BHADLO CC[N@@H+](CCCCCOC)c1cccc(C)c1 ZINC000533485165 384366194 /nfs/dbraw/zinc/36/61/94/384366194.db2.gz ARKSBBRHAHVENP-UHFFFAOYSA-N 1 2 235.371 3.638 20 0 BHADLO CC[N@H+](CCCCCOC)c1cccc(C)c1 ZINC000533485165 384366190 /nfs/dbraw/zinc/36/61/90/384366190.db2.gz ARKSBBRHAHVENP-UHFFFAOYSA-N 1 2 235.371 3.638 20 0 BHADLO CC[N@@H+](C[C@@H]1CCCOC1)c1cccc(C)c1C ZINC000533485340 384366423 /nfs/dbraw/zinc/36/64/23/384366423.db2.gz QKGBGVDSDLIFOI-HNNXBMFYSA-N 1 2 247.382 3.556 20 0 BHADLO CC[N@H+](C[C@@H]1CCCOC1)c1cccc(C)c1C ZINC000533485340 384366418 /nfs/dbraw/zinc/36/64/18/384366418.db2.gz QKGBGVDSDLIFOI-HNNXBMFYSA-N 1 2 247.382 3.556 20 0 BHADLO CC[N@@H+](C[C@H]1CCCOC1)c1cccc(C)c1C ZINC000533485341 384365113 /nfs/dbraw/zinc/36/51/13/384365113.db2.gz QKGBGVDSDLIFOI-OAHLLOKOSA-N 1 2 247.382 3.556 20 0 BHADLO CC[N@H+](C[C@H]1CCCOC1)c1cccc(C)c1C ZINC000533485341 384365107 /nfs/dbraw/zinc/36/51/07/384365107.db2.gz QKGBGVDSDLIFOI-OAHLLOKOSA-N 1 2 247.382 3.556 20 0 BHADLO Cc1cc(C(C)(C)C)cc(C)c1Cn1cc[nH+]c1 ZINC000533488601 384368914 /nfs/dbraw/zinc/36/89/14/384368914.db2.gz FETLPAJNTISJDT-UHFFFAOYSA-N 1 2 242.366 3.846 20 0 BHADLO Cc1cccc([N@H+](C[C@@H]2CCCOC2)C(C)C)c1 ZINC000533501299 384390225 /nfs/dbraw/zinc/39/02/25/384390225.db2.gz CAMJXGXDZPQMKE-HNNXBMFYSA-N 1 2 247.382 3.636 20 0 BHADLO Cc1cccc([N@@H+](C[C@@H]2CCCOC2)C(C)C)c1 ZINC000533501299 384390220 /nfs/dbraw/zinc/39/02/20/384390220.db2.gz CAMJXGXDZPQMKE-HNNXBMFYSA-N 1 2 247.382 3.636 20 0 BHADLO Cc1cccc([N@H+](C[C@H]2CCCOC2)C(C)C)c1 ZINC000533501300 384390430 /nfs/dbraw/zinc/39/04/30/384390430.db2.gz CAMJXGXDZPQMKE-OAHLLOKOSA-N 1 2 247.382 3.636 20 0 BHADLO Cc1cccc([N@@H+](C[C@H]2CCCOC2)C(C)C)c1 ZINC000533501300 384390426 /nfs/dbraw/zinc/39/04/26/384390426.db2.gz CAMJXGXDZPQMKE-OAHLLOKOSA-N 1 2 247.382 3.636 20 0 BHADLO Cc1ccccc1[N@H+](C[C@@H]1CCCOC1)C(C)C ZINC000533513859 384444408 /nfs/dbraw/zinc/44/44/08/384444408.db2.gz YUSKDIYWSXWDKA-HNNXBMFYSA-N 1 2 247.382 3.636 20 0 BHADLO Cc1ccccc1[N@@H+](C[C@@H]1CCCOC1)C(C)C ZINC000533513859 384444400 /nfs/dbraw/zinc/44/44/00/384444400.db2.gz YUSKDIYWSXWDKA-HNNXBMFYSA-N 1 2 247.382 3.636 20 0 BHADLO Cc1ccccc1[N@H+](C[C@H]1CCCOC1)C(C)C ZINC000533513860 384445906 /nfs/dbraw/zinc/44/59/06/384445906.db2.gz YUSKDIYWSXWDKA-OAHLLOKOSA-N 1 2 247.382 3.636 20 0 BHADLO Cc1ccccc1[N@@H+](C[C@H]1CCCOC1)C(C)C ZINC000533513860 384445901 /nfs/dbraw/zinc/44/59/01/384445901.db2.gz YUSKDIYWSXWDKA-OAHLLOKOSA-N 1 2 247.382 3.636 20 0 BHADLO Cc1cc2ccccc2[nH+]c1N1CC=C(C)CC1 ZINC000533683964 343278953 /nfs/dbraw/zinc/27/89/53/343278953.db2.gz GOAFALPEFGXHDL-UHFFFAOYSA-N 1 2 238.334 3.700 20 0 BHADLO CC[C@H](C)CSCc1cc(OC)cc(C)[nH+]1 ZINC000533785157 384198348 /nfs/dbraw/zinc/19/83/48/384198348.db2.gz WFTPJGFXYMWUSQ-JTQLQIEISA-N 1 2 239.384 3.678 20 0 BHADLO CC[C@@H](C)CSCc1cc(OC)cc(C)[nH+]1 ZINC000533785159 384197734 /nfs/dbraw/zinc/19/77/34/384197734.db2.gz WFTPJGFXYMWUSQ-SNVBAGLBSA-N 1 2 239.384 3.678 20 0 BHADLO CCC(CC)SCc1cc(OC)cc(C)[nH+]1 ZINC000534519062 323153001 /nfs/dbraw/zinc/15/30/01/323153001.db2.gz AZWROTYCRUVSFG-UHFFFAOYSA-N 1 2 239.384 3.820 20 0 BHADLO COc1cc(C)[nH+]c(CS[C@H](C)C(C)C)c1 ZINC000534519731 323153071 /nfs/dbraw/zinc/15/30/71/323153071.db2.gz QRKXBNJMVHOONM-LLVKDONJSA-N 1 2 239.384 3.676 20 0 BHADLO COc1cc(C)[nH+]c(CS[C@@H](C)C(C)C)c1 ZINC000534519732 323153041 /nfs/dbraw/zinc/15/30/41/323153041.db2.gz QRKXBNJMVHOONM-NSHDSACASA-N 1 2 239.384 3.676 20 0 BHADLO CC(C)c1cc(N(C)CC2CC2)nc(C(C)C)[nH+]1 ZINC000534879643 323161890 /nfs/dbraw/zinc/16/18/90/323161890.db2.gz RBQHULNIFXLQIK-UHFFFAOYSA-N 1 2 247.386 3.570 20 0 BHADLO Cc1cc(C)c([C@@H](C)[N@@H+](C)CC(F)F)c(C)c1 ZINC000535005884 323162758 /nfs/dbraw/zinc/16/27/58/323162758.db2.gz MDTFHGAJARXTJD-GFCCVEGCSA-N 1 2 241.325 3.870 20 0 BHADLO Cc1cc(C)c([C@@H](C)[N@H+](C)CC(F)F)c(C)c1 ZINC000535005884 323162757 /nfs/dbraw/zinc/16/27/57/323162757.db2.gz MDTFHGAJARXTJD-GFCCVEGCSA-N 1 2 241.325 3.870 20 0 BHADLO Cc1cc(C)c([C@H](C)[N@@H+](C)CC(F)F)c(C)c1 ZINC000535005885 323162725 /nfs/dbraw/zinc/16/27/25/323162725.db2.gz MDTFHGAJARXTJD-LBPRGKRZSA-N 1 2 241.325 3.870 20 0 BHADLO Cc1cc(C)c([C@H](C)[N@H+](C)CC(F)F)c(C)c1 ZINC000535005885 323162724 /nfs/dbraw/zinc/16/27/24/323162724.db2.gz MDTFHGAJARXTJD-LBPRGKRZSA-N 1 2 241.325 3.870 20 0 BHADLO COc1cc(C)[nH+]c(CSc2ccccc2)c1 ZINC000535255871 323169275 /nfs/dbraw/zinc/16/92/75/323169275.db2.gz WRKCRYNFGVUFLM-UHFFFAOYSA-N 1 2 245.347 3.691 20 0 BHADLO CCCC[C@@H](CC)CSCCn1cc[nH+]c1 ZINC000535578364 323186331 /nfs/dbraw/zinc/18/63/31/323186331.db2.gz CSRCTBIDUMBNEJ-CYBMUJFWSA-N 1 2 240.416 3.833 20 0 BHADLO CCCC[C@H](CC)CSCCn1cc[nH+]c1 ZINC000535578396 323186282 /nfs/dbraw/zinc/18/62/82/323186282.db2.gz CSRCTBIDUMBNEJ-ZDUSSCGKSA-N 1 2 240.416 3.833 20 0 BHADLO CCc1cc(OCC2CC2)c2ccccc2[nH+]1 ZINC000536133770 323196172 /nfs/dbraw/zinc/19/61/72/323196172.db2.gz AIKATBABMBPJOG-UHFFFAOYSA-N 1 2 227.307 3.586 20 0 BHADLO CC(C)c1cc(N2CCC[C@H]2C)nc(C(C)C)[nH+]1 ZINC000536390177 384759591 /nfs/dbraw/zinc/75/95/91/384759591.db2.gz JADRQCLZQQLACU-GFCCVEGCSA-N 1 2 247.386 3.712 20 0 BHADLO CC(C)c1cc(N2CCC[C@@H]2C)nc(C(C)C)[nH+]1 ZINC000536390178 384760231 /nfs/dbraw/zinc/76/02/31/384760231.db2.gz JADRQCLZQQLACU-LBPRGKRZSA-N 1 2 247.386 3.712 20 0 BHADLO CCC1(CC)CCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000536498664 384877560 /nfs/dbraw/zinc/87/75/60/384877560.db2.gz WINNPOKYBRZVME-UHFFFAOYSA-N 1 2 243.354 3.579 20 0 BHADLO C[C@@H]1C[C@@H](C)N(c2[nH+]ccc3ccc(F)cc32)C1 ZINC000536707760 323201645 /nfs/dbraw/zinc/20/16/45/323201645.db2.gz PPFJWVHRRMGFRL-GHMZBOCLSA-N 1 2 244.313 3.609 20 0 BHADLO C[C@@H]1C[C@H](C)N(c2[nH+]ccc3ccc(F)cc32)C1 ZINC000536707761 323201787 /nfs/dbraw/zinc/20/17/87/323201787.db2.gz PPFJWVHRRMGFRL-MNOVXSKESA-N 1 2 244.313 3.609 20 0 BHADLO C[C@H]1C[C@H](C)N(c2[nH+]ccc3ccc(F)cc32)C1 ZINC000536707762 323201664 /nfs/dbraw/zinc/20/16/64/323201664.db2.gz PPFJWVHRRMGFRL-QWRGUYRKSA-N 1 2 244.313 3.609 20 0 BHADLO C[C@@H]1C[C@H](C)CN1c1[nH+]ccc2ccc(F)cc21 ZINC000536707763 323201738 /nfs/dbraw/zinc/20/17/38/323201738.db2.gz PPFJWVHRRMGFRL-WDEREUQCSA-N 1 2 244.313 3.609 20 0 BHADLO C[C@@H](c1ccc(Cl)cc1)[N@H+]1CCC=C(F)C1 ZINC000536994367 387135824 /nfs/dbraw/zinc/13/58/24/387135824.db2.gz TVLPEPYWNAWGCT-JTQLQIEISA-N 1 2 239.721 3.960 20 0 BHADLO C[C@@H](c1ccc(Cl)cc1)[N@@H+]1CCC=C(F)C1 ZINC000536994367 387135818 /nfs/dbraw/zinc/13/58/18/387135818.db2.gz TVLPEPYWNAWGCT-JTQLQIEISA-N 1 2 239.721 3.960 20 0 BHADLO C[C@H](c1ccc(Cl)cc1)[N@H+]1CCC=C(F)C1 ZINC000536994368 387136691 /nfs/dbraw/zinc/13/66/91/387136691.db2.gz TVLPEPYWNAWGCT-SNVBAGLBSA-N 1 2 239.721 3.960 20 0 BHADLO C[C@H](c1ccc(Cl)cc1)[N@@H+]1CCC=C(F)C1 ZINC000536994368 387136686 /nfs/dbraw/zinc/13/66/86/387136686.db2.gz TVLPEPYWNAWGCT-SNVBAGLBSA-N 1 2 239.721 3.960 20 0 BHADLO C[C@@H](c1cccc(Cl)c1)[N@H+]1CCC=C(F)C1 ZINC000536997770 387135736 /nfs/dbraw/zinc/13/57/36/387135736.db2.gz OUBKMKQSFPONDL-JTQLQIEISA-N 1 2 239.721 3.960 20 0 BHADLO C[C@@H](c1cccc(Cl)c1)[N@@H+]1CCC=C(F)C1 ZINC000536997770 387135731 /nfs/dbraw/zinc/13/57/31/387135731.db2.gz OUBKMKQSFPONDL-JTQLQIEISA-N 1 2 239.721 3.960 20 0 BHADLO C[C@H](c1cccc(Cl)c1)[N@H+]1CCC=C(F)C1 ZINC000536997771 387136793 /nfs/dbraw/zinc/13/67/93/387136793.db2.gz OUBKMKQSFPONDL-SNVBAGLBSA-N 1 2 239.721 3.960 20 0 BHADLO C[C@H](c1cccc(Cl)c1)[N@@H+]1CCC=C(F)C1 ZINC000536997771 387136789 /nfs/dbraw/zinc/13/67/89/387136789.db2.gz OUBKMKQSFPONDL-SNVBAGLBSA-N 1 2 239.721 3.960 20 0 BHADLO CCCCCSCc1cc(OC)cc(C)[nH+]1 ZINC000537048082 324001474 /nfs/dbraw/zinc/00/14/74/324001474.db2.gz JISZTOHYJPFCBM-UHFFFAOYSA-N 1 2 239.384 3.822 20 0 BHADLO C/C(=C/c1ccccc1)CNc1c[nH+]cc(C)c1 ZINC000537326150 324065732 /nfs/dbraw/zinc/06/57/32/324065732.db2.gz YANIXFKXXAPNIF-JYRVWZFOSA-N 1 2 238.334 3.905 20 0 BHADLO C/C(=C\c1ccccc1)CNc1c[nH+]cc(C)c1 ZINC000537326165 324065813 /nfs/dbraw/zinc/06/58/13/324065813.db2.gz YANIXFKXXAPNIF-MDWZMJQESA-N 1 2 238.334 3.905 20 0 BHADLO FC1(F)CC[N@@H+](Cc2cccc3ccccc32)C1 ZINC000537367705 324067491 /nfs/dbraw/zinc/06/74/91/324067491.db2.gz IKZIQZPUUDKVBI-UHFFFAOYSA-N 1 2 247.288 3.681 20 0 BHADLO FC1(F)CC[N@H+](Cc2cccc3ccccc32)C1 ZINC000537367705 324067487 /nfs/dbraw/zinc/06/74/87/324067487.db2.gz IKZIQZPUUDKVBI-UHFFFAOYSA-N 1 2 247.288 3.681 20 0 BHADLO CC[C@H](C[N@H+]1CCC(F)(F)C1)c1ccccc1 ZINC000537388406 324069716 /nfs/dbraw/zinc/06/97/16/324069716.db2.gz FGUHYDDTNFBJJF-GFCCVEGCSA-N 1 2 239.309 3.521 20 0 BHADLO CC[C@H](C[N@@H+]1CCC(F)(F)C1)c1ccccc1 ZINC000537388406 324069713 /nfs/dbraw/zinc/06/97/13/324069713.db2.gz FGUHYDDTNFBJJF-GFCCVEGCSA-N 1 2 239.309 3.521 20 0 BHADLO CC[C@@H](C[N@H+]1CCC(F)(F)C1)c1ccccc1 ZINC000537388413 324069274 /nfs/dbraw/zinc/06/92/74/324069274.db2.gz FGUHYDDTNFBJJF-LBPRGKRZSA-N 1 2 239.309 3.521 20 0 BHADLO CC[C@@H](C[N@@H+]1CCC(F)(F)C1)c1ccccc1 ZINC000537388413 324069268 /nfs/dbraw/zinc/06/92/68/324069268.db2.gz FGUHYDDTNFBJJF-LBPRGKRZSA-N 1 2 239.309 3.521 20 0 BHADLO CC[C@@H](c1ccc(F)cc1)[N@H+]1CCC=C(F)C1 ZINC000538098477 388678153 /nfs/dbraw/zinc/67/81/53/388678153.db2.gz FZYUEJSWVROGPA-AWEZNQCLSA-N 1 2 237.293 3.836 20 0 BHADLO CC[C@@H](c1ccc(F)cc1)[N@@H+]1CCC=C(F)C1 ZINC000538098477 388678151 /nfs/dbraw/zinc/67/81/51/388678151.db2.gz FZYUEJSWVROGPA-AWEZNQCLSA-N 1 2 237.293 3.836 20 0 BHADLO CC[C@H](c1ccc(F)cc1)[N@H+]1CCC=C(F)C1 ZINC000538098478 388677637 /nfs/dbraw/zinc/67/76/37/388677637.db2.gz FZYUEJSWVROGPA-CQSZACIVSA-N 1 2 237.293 3.836 20 0 BHADLO CC[C@H](c1ccc(F)cc1)[N@@H+]1CCC=C(F)C1 ZINC000538098478 388677635 /nfs/dbraw/zinc/67/76/35/388677635.db2.gz FZYUEJSWVROGPA-CQSZACIVSA-N 1 2 237.293 3.836 20 0 BHADLO CCC[C@H](C[N@@H+](C)CC(F)F)c1ccccc1 ZINC000538307973 388684030 /nfs/dbraw/zinc/68/40/30/388684030.db2.gz NTPNKMRQUOVVAB-CYBMUJFWSA-N 1 2 241.325 3.767 20 0 BHADLO CCC[C@H](C[N@H+](C)CC(F)F)c1ccccc1 ZINC000538307973 388684029 /nfs/dbraw/zinc/68/40/29/388684029.db2.gz NTPNKMRQUOVVAB-CYBMUJFWSA-N 1 2 241.325 3.767 20 0 BHADLO CCC[C@@H](C[N@@H+](C)CC(F)F)c1ccccc1 ZINC000538307977 388684148 /nfs/dbraw/zinc/68/41/48/388684148.db2.gz NTPNKMRQUOVVAB-ZDUSSCGKSA-N 1 2 241.325 3.767 20 0 BHADLO CCC[C@@H](C[N@H+](C)CC(F)F)c1ccccc1 ZINC000538307977 388684145 /nfs/dbraw/zinc/68/41/45/388684145.db2.gz NTPNKMRQUOVVAB-ZDUSSCGKSA-N 1 2 241.325 3.767 20 0 BHADLO CCCCCSCc1c[nH+]c2ccccn12 ZINC000538515240 388699057 /nfs/dbraw/zinc/69/90/57/388699057.db2.gz ORKFFKPWBWWBNZ-UHFFFAOYSA-N 1 2 234.368 3.758 20 0 BHADLO COc1cc(C)[nH+]c(CSCCC(C)C)c1 ZINC000538524140 388700575 /nfs/dbraw/zinc/70/05/75/388700575.db2.gz CTTMXZUJQLULKT-UHFFFAOYSA-N 1 2 239.384 3.678 20 0 BHADLO CCCCSCc1[nH+]cc(C)c(OC)c1C ZINC000538525150 388700704 /nfs/dbraw/zinc/70/07/04/388700704.db2.gz WFLRNNNVSCANJS-UHFFFAOYSA-N 1 2 239.384 3.740 20 0 BHADLO CC(C)[C@@H](C)Nc1ccc(N2CCCCC2)c[nH+]1 ZINC000538527224 324712572 /nfs/dbraw/zinc/71/25/72/324712572.db2.gz XPYCKXYRIQVDFJ-CYBMUJFWSA-N 1 2 247.386 3.528 20 0 BHADLO CC(C)[C@H](C)Nc1ccc(N2CCCCC2)c[nH+]1 ZINC000538527225 388701206 /nfs/dbraw/zinc/70/12/06/388701206.db2.gz XPYCKXYRIQVDFJ-ZDUSSCGKSA-N 1 2 247.386 3.528 20 0 BHADLO CCC(CC)SCc1c[nH+]c2ccccn12 ZINC000538531497 388701460 /nfs/dbraw/zinc/70/14/60/388701460.db2.gz OBBXVNGWZCAUGN-UHFFFAOYSA-N 1 2 234.368 3.756 20 0 BHADLO Cc1ccc(C[N@H+](CC(F)F)C(C)C)cc1F ZINC000538794683 388726168 /nfs/dbraw/zinc/72/61/68/388726168.db2.gz NDQVJAQPZMYMKE-UHFFFAOYSA-N 1 2 245.288 3.610 20 0 BHADLO Cc1ccc(C[N@@H+](CC(F)F)C(C)C)cc1F ZINC000538794683 388726165 /nfs/dbraw/zinc/72/61/65/388726165.db2.gz NDQVJAQPZMYMKE-UHFFFAOYSA-N 1 2 245.288 3.610 20 0 BHADLO CCc1ccc(C[N@@H+](CC(F)F)C(C)C)s1 ZINC000538796861 388725052 /nfs/dbraw/zinc/72/50/52/388725052.db2.gz ZLYUERHSESUPQE-UHFFFAOYSA-N 1 2 247.354 3.786 20 0 BHADLO CCc1ccc(C[N@H+](CC(F)F)C(C)C)s1 ZINC000538796861 388725050 /nfs/dbraw/zinc/72/50/50/388725050.db2.gz ZLYUERHSESUPQE-UHFFFAOYSA-N 1 2 247.354 3.786 20 0 BHADLO Cc1cccc(C[N@H+](CC(F)F)C(C)C)c1C ZINC000538799996 388727486 /nfs/dbraw/zinc/72/74/86/388727486.db2.gz IISWMTBKADZUMW-UHFFFAOYSA-N 1 2 241.325 3.779 20 0 BHADLO Cc1cccc(C[N@@H+](CC(F)F)C(C)C)c1C ZINC000538799996 388727484 /nfs/dbraw/zinc/72/74/84/388727484.db2.gz IISWMTBKADZUMW-UHFFFAOYSA-N 1 2 241.325 3.779 20 0 BHADLO Cc1cc(C[N@H+](CC(F)F)C(C)C)ccc1F ZINC000538800225 388726536 /nfs/dbraw/zinc/72/65/36/388726536.db2.gz XCAUDQDRYAJZSS-UHFFFAOYSA-N 1 2 245.288 3.610 20 0 BHADLO Cc1cc(C[N@@H+](CC(F)F)C(C)C)ccc1F ZINC000538800225 388726532 /nfs/dbraw/zinc/72/65/32/388726532.db2.gz XCAUDQDRYAJZSS-UHFFFAOYSA-N 1 2 245.288 3.610 20 0 BHADLO Cc1[nH+]cc(-c2ccccc2)cc1NCC1CC1 ZINC000539520666 324842988 /nfs/dbraw/zinc/84/29/88/324842988.db2.gz MGILHXMTZQHFPV-UHFFFAOYSA-N 1 2 238.334 3.879 20 0 BHADLO FC1(F)CC[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000539577592 388767067 /nfs/dbraw/zinc/76/70/67/388767067.db2.gz XSXSQUZLMGCTCL-UHFFFAOYSA-N 1 2 247.288 3.681 20 0 BHADLO FC1(F)CC[N@H+](Cc2ccc3ccccc3c2)C1 ZINC000539577592 388767061 /nfs/dbraw/zinc/76/70/61/388767061.db2.gz XSXSQUZLMGCTCL-UHFFFAOYSA-N 1 2 247.288 3.681 20 0 BHADLO c1[nH+]c2ccccn2c1CSC1CCCCC1 ZINC000539628623 388768137 /nfs/dbraw/zinc/76/81/37/388768137.db2.gz APGRIWSTNFOIER-UHFFFAOYSA-N 1 2 246.379 3.900 20 0 BHADLO Cc1ccc(C[N@H+](CC(F)F)C(C)C)cc1C ZINC000539899097 388787279 /nfs/dbraw/zinc/78/72/79/388787279.db2.gz OTDLDMQMTAYXBT-UHFFFAOYSA-N 1 2 241.325 3.779 20 0 BHADLO Cc1ccc(C[N@@H+](CC(F)F)C(C)C)cc1C ZINC000539899097 388787277 /nfs/dbraw/zinc/78/72/77/388787277.db2.gz OTDLDMQMTAYXBT-UHFFFAOYSA-N 1 2 241.325 3.779 20 0 BHADLO CC[C@@H](C)CSCc1c[nH+]c2ccccn12 ZINC000540728144 388815521 /nfs/dbraw/zinc/81/55/21/388815521.db2.gz HBPWJAYKRYJQLE-LLVKDONJSA-N 1 2 234.368 3.614 20 0 BHADLO CC[C@H](C)CSCc1c[nH+]c2ccccn12 ZINC000540728146 388814785 /nfs/dbraw/zinc/81/47/85/388814785.db2.gz HBPWJAYKRYJQLE-NSHDSACASA-N 1 2 234.368 3.614 20 0 BHADLO CC(C)[C@@H](C)SCc1c[nH+]c2ccccn12 ZINC000540729405 388815751 /nfs/dbraw/zinc/81/57/51/388815751.db2.gz LKQVLBFTMVLVNF-LLVKDONJSA-N 1 2 234.368 3.612 20 0 BHADLO CC(C)[C@H](C)SCc1c[nH+]c2ccccn12 ZINC000540729406 388815084 /nfs/dbraw/zinc/81/50/84/388815084.db2.gz LKQVLBFTMVLVNF-NSHDSACASA-N 1 2 234.368 3.612 20 0 BHADLO CC1(c2ccccc2)CC(Nc2cccc[nH+]2)C1 ZINC000540973913 388834165 /nfs/dbraw/zinc/83/41/65/388834165.db2.gz UTKHHBXPULXJMG-UHFFFAOYSA-N 1 2 238.334 3.614 20 0 BHADLO CCCOc1ccc(C[N@H+]2CCC=C(F)C2)cc1 ZINC000541890385 388873147 /nfs/dbraw/zinc/87/31/47/388873147.db2.gz YQNYZMVUEOSWCT-UHFFFAOYSA-N 1 2 249.329 3.535 20 0 BHADLO CCCOc1ccc(C[N@@H+]2CCC=C(F)C2)cc1 ZINC000541890385 388873145 /nfs/dbraw/zinc/87/31/45/388873145.db2.gz YQNYZMVUEOSWCT-UHFFFAOYSA-N 1 2 249.329 3.535 20 0 BHADLO CCC[N@@H+](CCCc1ccsc1)CC(F)F ZINC000542099035 325008438 /nfs/dbraw/zinc/00/84/38/325008438.db2.gz VFEHDGHZEWIKIR-UHFFFAOYSA-N 1 2 247.354 3.658 20 0 BHADLO CCC[N@H+](CCCc1ccsc1)CC(F)F ZINC000542099035 325008436 /nfs/dbraw/zinc/00/84/36/325008436.db2.gz VFEHDGHZEWIKIR-UHFFFAOYSA-N 1 2 247.354 3.658 20 0 BHADLO CC(C)[N@@H+](CC(F)F)[C@@H](C)Cc1ccsc1 ZINC000542151835 325010638 /nfs/dbraw/zinc/01/06/38/325010638.db2.gz RQGLIXXOLBUFIB-JTQLQIEISA-N 1 2 247.354 3.655 20 0 BHADLO CC(C)[N@H+](CC(F)F)[C@@H](C)Cc1ccsc1 ZINC000542151835 325010636 /nfs/dbraw/zinc/01/06/36/325010636.db2.gz RQGLIXXOLBUFIB-JTQLQIEISA-N 1 2 247.354 3.655 20 0 BHADLO CC(C)[N@@H+](CC(F)F)[C@H](C)Cc1ccsc1 ZINC000542151836 325010757 /nfs/dbraw/zinc/01/07/57/325010757.db2.gz RQGLIXXOLBUFIB-SNVBAGLBSA-N 1 2 247.354 3.655 20 0 BHADLO CC(C)[N@H+](CC(F)F)[C@H](C)Cc1ccsc1 ZINC000542151836 325010755 /nfs/dbraw/zinc/01/07/55/325010755.db2.gz RQGLIXXOLBUFIB-SNVBAGLBSA-N 1 2 247.354 3.655 20 0 BHADLO CCC(CC)Sc1[nH+]cc2ccccn21 ZINC000542711271 325043322 /nfs/dbraw/zinc/04/33/22/325043322.db2.gz DKKLAYVFJDDCNI-UHFFFAOYSA-N 1 2 220.341 3.615 20 0 BHADLO c1ccc(CNc2c[nH+]c3c(c2)CCCC3)cc1 ZINC000542925331 325063561 /nfs/dbraw/zinc/06/35/61/325063561.db2.gz WFEGDNJOEFUKQK-UHFFFAOYSA-N 1 2 238.334 3.573 20 0 BHADLO CCC[N@@H+](CC(F)F)[C@@H](C)Cc1ccsc1 ZINC000544006679 325125825 /nfs/dbraw/zinc/12/58/25/325125825.db2.gz OXQLYJUHUIZGLM-JTQLQIEISA-N 1 2 247.354 3.656 20 0 BHADLO CCC[N@H+](CC(F)F)[C@@H](C)Cc1ccsc1 ZINC000544006679 325125820 /nfs/dbraw/zinc/12/58/20/325125820.db2.gz OXQLYJUHUIZGLM-JTQLQIEISA-N 1 2 247.354 3.656 20 0 BHADLO CCC[N@@H+](CC(F)F)[C@H](C)Cc1ccsc1 ZINC000544006680 325126368 /nfs/dbraw/zinc/12/63/68/325126368.db2.gz OXQLYJUHUIZGLM-SNVBAGLBSA-N 1 2 247.354 3.656 20 0 BHADLO CCC[N@H+](CC(F)F)[C@H](C)Cc1ccsc1 ZINC000544006680 325126366 /nfs/dbraw/zinc/12/63/66/325126366.db2.gz OXQLYJUHUIZGLM-SNVBAGLBSA-N 1 2 247.354 3.656 20 0 BHADLO Cc1ccc(C)c([N@H+](CCC(C)(C)O)C(C)C)c1 ZINC000544405120 325141115 /nfs/dbraw/zinc/14/11/15/325141115.db2.gz QHFOAGHLIHNRDN-UHFFFAOYSA-N 1 2 249.398 3.679 20 0 BHADLO Cc1ccc(C)c([N@@H+](CCC(C)(C)O)C(C)C)c1 ZINC000544405120 325141114 /nfs/dbraw/zinc/14/11/14/325141114.db2.gz QHFOAGHLIHNRDN-UHFFFAOYSA-N 1 2 249.398 3.679 20 0 BHADLO Cc1cc[nH+]cc1NC[C@H](C)Cc1ccccc1 ZINC000544406526 325141097 /nfs/dbraw/zinc/14/10/97/325141097.db2.gz PVCJIIQXCVZEFZ-CYBMUJFWSA-N 1 2 240.350 3.681 20 0 BHADLO Cc1cc[nH+]cc1NC[C@@H](C)Cc1ccccc1 ZINC000544406527 325141372 /nfs/dbraw/zinc/14/13/72/325141372.db2.gz PVCJIIQXCVZEFZ-ZDUSSCGKSA-N 1 2 240.350 3.681 20 0 BHADLO CC[N@H+](Cc1cc(C)c(C)cc1C)CC(F)F ZINC000544595925 325150905 /nfs/dbraw/zinc/15/09/05/325150905.db2.gz JRXLNPBZGMQIOG-UHFFFAOYSA-N 1 2 241.325 3.699 20 0 BHADLO CC[N@@H+](Cc1cc(C)c(C)cc1C)CC(F)F ZINC000544595925 325150903 /nfs/dbraw/zinc/15/09/03/325150903.db2.gz JRXLNPBZGMQIOG-UHFFFAOYSA-N 1 2 241.325 3.699 20 0 BHADLO COc1ccc2c(c1)[nH+]ccc2OC1CCCC1 ZINC000544695054 325154817 /nfs/dbraw/zinc/15/48/17/325154817.db2.gz YVTDIQFRIFXLGB-UHFFFAOYSA-N 1 2 243.306 3.565 20 0 BHADLO c1c(CSCC2CCCC2)[nH+]c2ccccn12 ZINC000544871871 325164834 /nfs/dbraw/zinc/16/48/34/325164834.db2.gz HDZLTPGLTJCRQK-UHFFFAOYSA-N 1 2 246.379 3.758 20 0 BHADLO CC(C)(O)CC[N@H+](c1ccccc1)C1CCCC1 ZINC000545196819 325189069 /nfs/dbraw/zinc/18/90/69/325189069.db2.gz BURVDKQKUFEUMP-UHFFFAOYSA-N 1 2 247.382 3.597 20 0 BHADLO CC(C)(O)CC[N@@H+](c1ccccc1)C1CCCC1 ZINC000545196819 325189065 /nfs/dbraw/zinc/18/90/65/325189065.db2.gz BURVDKQKUFEUMP-UHFFFAOYSA-N 1 2 247.382 3.597 20 0 BHADLO CC[C@@H]1C[C@H](C[N@@H+](C)c2cccc(C)c2)CCO1 ZINC000545550277 325228494 /nfs/dbraw/zinc/22/84/94/325228494.db2.gz XXPHPUAYTGSESS-GDBMZVCRSA-N 1 2 247.382 3.636 20 0 BHADLO CC[C@@H]1C[C@H](C[N@H+](C)c2cccc(C)c2)CCO1 ZINC000545550277 325228492 /nfs/dbraw/zinc/22/84/92/325228492.db2.gz XXPHPUAYTGSESS-GDBMZVCRSA-N 1 2 247.382 3.636 20 0 BHADLO CC[C@@H]1C[C@@H](C[N@@H+](C)c2cccc(C)c2)CCO1 ZINC000545550279 325228337 /nfs/dbraw/zinc/22/83/37/325228337.db2.gz XXPHPUAYTGSESS-GOEBONIOSA-N 1 2 247.382 3.636 20 0 BHADLO CC[C@@H]1C[C@@H](C[N@H+](C)c2cccc(C)c2)CCO1 ZINC000545550279 325228335 /nfs/dbraw/zinc/22/83/35/325228335.db2.gz XXPHPUAYTGSESS-GOEBONIOSA-N 1 2 247.382 3.636 20 0 BHADLO CC[C@H]1C[C@@H](C[N@@H+](C)c2cccc(C)c2)CCO1 ZINC000545550280 325228277 /nfs/dbraw/zinc/22/82/77/325228277.db2.gz XXPHPUAYTGSESS-HOCLYGCPSA-N 1 2 247.382 3.636 20 0 BHADLO CC[C@H]1C[C@@H](C[N@H+](C)c2cccc(C)c2)CCO1 ZINC000545550280 325228273 /nfs/dbraw/zinc/22/82/73/325228273.db2.gz XXPHPUAYTGSESS-HOCLYGCPSA-N 1 2 247.382 3.636 20 0 BHADLO CC[C@H]1C[C@H](C[N@@H+](C)c2cccc(C)c2)CCO1 ZINC000545550282 325228449 /nfs/dbraw/zinc/22/84/49/325228449.db2.gz XXPHPUAYTGSESS-ZBFHGGJFSA-N 1 2 247.382 3.636 20 0 BHADLO CC[C@H]1C[C@H](C[N@H+](C)c2cccc(C)c2)CCO1 ZINC000545550282 325228446 /nfs/dbraw/zinc/22/84/46/325228446.db2.gz XXPHPUAYTGSESS-ZBFHGGJFSA-N 1 2 247.382 3.636 20 0 BHADLO CCC1(C[N@@H+](C)c2cccc(C)c2)CCOCC1 ZINC000546256114 325274430 /nfs/dbraw/zinc/27/44/30/325274430.db2.gz ZEEBBXUYINQWNN-UHFFFAOYSA-N 1 2 247.382 3.638 20 0 BHADLO CCC1(C[N@H+](C)c2cccc(C)c2)CCOCC1 ZINC000546256114 325274428 /nfs/dbraw/zinc/27/44/28/325274428.db2.gz ZEEBBXUYINQWNN-UHFFFAOYSA-N 1 2 247.382 3.638 20 0 BHADLO CC/C=C\CCOc1ccccc1-n1cc[nH+]c1 ZINC000546685318 325301154 /nfs/dbraw/zinc/30/11/54/325301154.db2.gz ZLOPHIZJDRYFOT-ARJAWSKDSA-N 1 2 242.322 3.607 20 0 BHADLO CC/C=C/CCOc1ccccc1-n1cc[nH+]c1 ZINC000546685319 325301554 /nfs/dbraw/zinc/30/15/54/325301554.db2.gz ZLOPHIZJDRYFOT-ONEGZZNKSA-N 1 2 242.322 3.607 20 0 BHADLO C[C@H](CC1CC1)Nc1c[nH+]c2c(c1)CCCC2 ZINC000547363396 325347728 /nfs/dbraw/zinc/34/77/28/325347728.db2.gz JJBBMBVECOLZSR-LLVKDONJSA-N 1 2 230.355 3.561 20 0 BHADLO C[C@@H](CC1CC1)Nc1c[nH+]c2c(c1)CCCC2 ZINC000547363397 325347694 /nfs/dbraw/zinc/34/76/94/325347694.db2.gz JJBBMBVECOLZSR-NSHDSACASA-N 1 2 230.355 3.561 20 0 BHADLO Cc1[nH+]cc(-c2ccccc2)cc1NC(C)C ZINC000547423077 325352832 /nfs/dbraw/zinc/35/28/32/325352832.db2.gz WKBJAFBSDIULFT-UHFFFAOYSA-N 1 2 226.323 3.877 20 0 BHADLO FC1=CCC[N@@H+](Cc2cc3ccccc3s2)C1 ZINC000547449073 325356551 /nfs/dbraw/zinc/35/65/51/325356551.db2.gz VFAWKWXDTURZFJ-UHFFFAOYSA-N 1 2 247.338 3.960 20 0 BHADLO FC1=CCC[N@H+](Cc2cc3ccccc3s2)C1 ZINC000547449073 325356548 /nfs/dbraw/zinc/35/65/48/325356548.db2.gz VFAWKWXDTURZFJ-UHFFFAOYSA-N 1 2 247.338 3.960 20 0 BHADLO c1ccc(C2CC(CNc3cccc[nH+]3)C2)cc1 ZINC000549255969 388575539 /nfs/dbraw/zinc/57/55/39/388575539.db2.gz CGEURQLXZGEXFM-UHFFFAOYSA-N 1 2 238.334 3.687 20 0 BHADLO Cc1cc2ccccc2[nH+]c1N[C@H]1CCC[C@H]1F ZINC000549302778 388576697 /nfs/dbraw/zinc/57/66/97/388576697.db2.gz SMISAVIFYNMRSP-OCCSQVGLSA-N 1 2 244.313 3.846 20 0 BHADLO CC(F)(F)C[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000550259209 388603572 /nfs/dbraw/zinc/60/35/72/388603572.db2.gz PMAAEGNOSGARHL-UHFFFAOYSA-N 1 2 239.309 3.699 20 0 BHADLO CC[C@@H]([NH2+]CC(C)(F)F)c1ccc(F)cc1F ZINC000550875031 388616687 /nfs/dbraw/zinc/61/66/87/388616687.db2.gz LGJCZBMVHBSYIO-LLVKDONJSA-N 1 2 249.251 3.661 20 0 BHADLO CC[C@H]([NH2+]CC(C)(F)F)c1ccc(F)cc1F ZINC000550875032 325541700 /nfs/dbraw/zinc/54/17/00/325541700.db2.gz LGJCZBMVHBSYIO-NSHDSACASA-N 1 2 249.251 3.661 20 0 BHADLO Cc1ccc2c(c1)[C@H]([NH2+]CC(C)(F)F)CCC2 ZINC000550882171 325542276 /nfs/dbraw/zinc/54/22/76/325542276.db2.gz JHQMOTKYFLKQRI-CYBMUJFWSA-N 1 2 239.309 3.617 20 0 BHADLO Cc1ccc2c(c1)[C@@H]([NH2+]CC(C)(F)F)CCC2 ZINC000550882172 388616088 /nfs/dbraw/zinc/61/60/88/388616088.db2.gz JHQMOTKYFLKQRI-ZDUSSCGKSA-N 1 2 239.309 3.617 20 0 BHADLO Cc1cc([C@H](C)[NH2+]CC(C)(F)F)cc(C)c1F ZINC000550882950 325542118 /nfs/dbraw/zinc/54/21/18/325542118.db2.gz UAMLJUOJTPLRHR-JTQLQIEISA-N 1 2 245.288 3.748 20 0 BHADLO Cc1cc([C@@H](C)[NH2+]CC(C)(F)F)cc(C)c1F ZINC000550882951 388616555 /nfs/dbraw/zinc/61/65/55/388616555.db2.gz UAMLJUOJTPLRHR-SNVBAGLBSA-N 1 2 245.288 3.748 20 0 BHADLO CC(F)(F)C[NH2+][C@H]1CC(C)(C)Cc2occc21 ZINC000551238700 388624057 /nfs/dbraw/zinc/62/40/57/388624057.db2.gz BMMSPYCVHAFDPP-JTQLQIEISA-N 1 2 243.297 3.538 20 0 BHADLO CC(F)(F)C[NH2+][C@@H]1CC(C)(C)Cc2occc21 ZINC000551238701 325551020 /nfs/dbraw/zinc/55/10/20/325551020.db2.gz BMMSPYCVHAFDPP-SNVBAGLBSA-N 1 2 243.297 3.538 20 0 BHADLO Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+]CC(C)(F)F ZINC000551255059 325551627 /nfs/dbraw/zinc/55/16/27/325551627.db2.gz MCWCUUIRLOPHNA-CMPLNLGQSA-N 1 2 239.309 3.788 20 0 BHADLO Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+]CC(C)(F)F ZINC000551255060 325551890 /nfs/dbraw/zinc/55/18/90/325551890.db2.gz MCWCUUIRLOPHNA-JQWIXIFHSA-N 1 2 239.309 3.788 20 0 BHADLO Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]CC(C)(F)F ZINC000551255061 388624740 /nfs/dbraw/zinc/62/47/40/388624740.db2.gz MCWCUUIRLOPHNA-PWSUYJOCSA-N 1 2 239.309 3.788 20 0 BHADLO Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]CC(C)(F)F ZINC000551255062 325551739 /nfs/dbraw/zinc/55/17/39/325551739.db2.gz MCWCUUIRLOPHNA-ZYHUDNBSSA-N 1 2 239.309 3.788 20 0 BHADLO C[C@H]([NH2+]CC(C)(F)F)c1cccc(C2CC2)c1 ZINC000551262367 388624353 /nfs/dbraw/zinc/62/43/53/388624353.db2.gz ALMQOXYBFPTMHT-JTQLQIEISA-N 1 2 239.309 3.870 20 0 BHADLO C[C@@H]([NH2+]CC(C)(F)F)c1cccc(C2CC2)c1 ZINC000551262368 388624318 /nfs/dbraw/zinc/62/43/18/388624318.db2.gz ALMQOXYBFPTMHT-SNVBAGLBSA-N 1 2 239.309 3.870 20 0 BHADLO CC(F)(F)C[NH2+][C@@H]1CC(C)(C)c2ccccc21 ZINC000551262763 325551597 /nfs/dbraw/zinc/55/15/97/325551597.db2.gz GVWDQIKVDWPWEU-GFCCVEGCSA-N 1 2 239.309 3.654 20 0 BHADLO CC(F)(F)C[NH2+][C@H]1CC(C)(C)c2ccccc21 ZINC000551262764 388624533 /nfs/dbraw/zinc/62/45/33/388624533.db2.gz GVWDQIKVDWPWEU-LBPRGKRZSA-N 1 2 239.309 3.654 20 0 BHADLO CC[N@@H+](CCCCCF)c1ccccc1 ZINC000551386929 388628286 /nfs/dbraw/zinc/62/82/86/388628286.db2.gz FXPHBCFQNZVYLC-UHFFFAOYSA-N 1 2 209.308 3.653 20 0 BHADLO CC[N@H+](CCCCCF)c1ccccc1 ZINC000551386929 388628282 /nfs/dbraw/zinc/62/82/82/388628282.db2.gz FXPHBCFQNZVYLC-UHFFFAOYSA-N 1 2 209.308 3.653 20 0 BHADLO CC(C)C[N@@H+](C[C@@H]1CCCOC1)c1ccccc1 ZINC000552058047 388665576 /nfs/dbraw/zinc/66/55/76/388665576.db2.gz SRACBGGZXGQVTR-HNNXBMFYSA-N 1 2 247.382 3.576 20 0 BHADLO CC(C)C[N@H+](C[C@@H]1CCCOC1)c1ccccc1 ZINC000552058047 388665573 /nfs/dbraw/zinc/66/55/73/388665573.db2.gz SRACBGGZXGQVTR-HNNXBMFYSA-N 1 2 247.382 3.576 20 0 BHADLO CC(C)C[N@@H+](C[C@H]1CCCOC1)c1ccccc1 ZINC000552058048 388665663 /nfs/dbraw/zinc/66/56/63/388665663.db2.gz SRACBGGZXGQVTR-OAHLLOKOSA-N 1 2 247.382 3.576 20 0 BHADLO CC(C)C[N@H+](C[C@H]1CCCOC1)c1ccccc1 ZINC000552058048 388665662 /nfs/dbraw/zinc/66/56/62/388665662.db2.gz SRACBGGZXGQVTR-OAHLLOKOSA-N 1 2 247.382 3.576 20 0 BHADLO CCc1ccc(N[C@H](C)c2[nH]cc[nH+]2)cc1CC ZINC000552070858 388666172 /nfs/dbraw/zinc/66/61/72/388666172.db2.gz GPOZTUVDKPHYGC-LLVKDONJSA-N 1 2 243.354 3.708 20 0 BHADLO CCc1ccc(N[C@@H](C)c2[nH]cc[nH+]2)cc1CC ZINC000552070859 388666022 /nfs/dbraw/zinc/66/60/22/388666022.db2.gz GPOZTUVDKPHYGC-NSHDSACASA-N 1 2 243.354 3.708 20 0 BHADLO Cc1ccc(N[C@@H]2CC=C(C)CC2)c(C)[nH+]1 ZINC000552152137 325600826 /nfs/dbraw/zinc/60/08/26/325600826.db2.gz DKKOPIYOBFLSMB-CYBMUJFWSA-N 1 2 216.328 3.609 20 0 BHADLO Cc1ccc(N[C@H]2CC=C(C)CC2)c(C)[nH+]1 ZINC000552152138 388674356 /nfs/dbraw/zinc/67/43/56/388674356.db2.gz DKKOPIYOBFLSMB-ZDUSSCGKSA-N 1 2 216.328 3.609 20 0 BHADLO CC1=CC[C@@H]([NH2+][C@@H](C(C)C)C(F)(F)F)CC1 ZINC000552193235 325607011 /nfs/dbraw/zinc/60/70/11/325607011.db2.gz GCVXOCOIDHSMQX-MNOVXSKESA-N 1 2 235.293 3.662 20 0 BHADLO CC1=CC[C@H]([NH2+][C@@H](C(C)C)C(F)(F)F)CC1 ZINC000552193239 388679218 /nfs/dbraw/zinc/67/92/18/388679218.db2.gz GCVXOCOIDHSMQX-QWRGUYRKSA-N 1 2 235.293 3.662 20 0 BHADLO c1[nH+]c(SC2CCCCC2)n2ccccc12 ZINC000552309276 388691919 /nfs/dbraw/zinc/69/19/19/388691919.db2.gz CLMLOFXNHLXVPC-UHFFFAOYSA-N 1 2 232.352 3.759 20 0 BHADLO CN(CC1CC1)c1cc[nH+]c2c(Cl)cccc12 ZINC000552958035 325670543 /nfs/dbraw/zinc/67/05/43/325670543.db2.gz YXMQFRHIQUQVKZ-UHFFFAOYSA-N 1 2 246.741 3.734 20 0 BHADLO Cc1cccc(CNc2[nH+]ccc(C)c2Cl)c1 ZINC000552973129 325671341 /nfs/dbraw/zinc/67/13/41/325671341.db2.gz IWUNCJNFSRYBBN-UHFFFAOYSA-N 1 2 246.741 3.964 20 0 BHADLO Clc1cccc2c(N3CCCCC3)cc[nH+]c12 ZINC000553236838 325682774 /nfs/dbraw/zinc/68/27/74/325682774.db2.gz DCOSOWCDYQZIFE-UHFFFAOYSA-N 1 2 246.741 3.879 20 0 BHADLO C[C@H]1CCN(c2cc[nH+]c3c(Cl)cccc23)C1 ZINC000553376391 325688189 /nfs/dbraw/zinc/68/81/89/325688189.db2.gz MLKSNASVDVUYST-JTQLQIEISA-N 1 2 246.741 3.734 20 0 BHADLO C[C@@H]1CCN(c2cc[nH+]c3c(Cl)cccc23)C1 ZINC000553376392 325688185 /nfs/dbraw/zinc/68/81/85/325688185.db2.gz MLKSNASVDVUYST-SNVBAGLBSA-N 1 2 246.741 3.734 20 0 BHADLO CCCC[C@@H](C)Nc1ccc(N2CCCC2)c[nH+]1 ZINC000553803735 388791125 /nfs/dbraw/zinc/79/11/25/388791125.db2.gz GAAOOUWQQUKPDG-CYBMUJFWSA-N 1 2 247.386 3.672 20 0 BHADLO CCCC[C@H](C)Nc1ccc(N2CCCC2)c[nH+]1 ZINC000553803737 325699687 /nfs/dbraw/zinc/69/96/87/325699687.db2.gz GAAOOUWQQUKPDG-ZDUSSCGKSA-N 1 2 247.386 3.672 20 0 BHADLO CC[C@H](Nc1ccc(N2CCCC2)c[nH+]1)C(C)C ZINC000553804249 388790526 /nfs/dbraw/zinc/79/05/26/388790526.db2.gz LALWOXWKSZFRFZ-AWEZNQCLSA-N 1 2 247.386 3.528 20 0 BHADLO CC[C@@H](Nc1ccc(N2CCCC2)c[nH+]1)C(C)C ZINC000553804250 388791565 /nfs/dbraw/zinc/79/15/65/388791565.db2.gz LALWOXWKSZFRFZ-CQSZACIVSA-N 1 2 247.386 3.528 20 0 BHADLO COc1ccc[nH+]c1N[C@H](C)CCC=C(C)C ZINC000553913317 325701340 /nfs/dbraw/zinc/70/13/40/325701340.db2.gz MZXPDIALTCDTSQ-GFCCVEGCSA-N 1 2 234.343 3.637 20 0 BHADLO COc1ccc[nH+]c1N[C@@H](C)CCC=C(C)C ZINC000553913321 325701342 /nfs/dbraw/zinc/70/13/42/325701342.db2.gz MZXPDIALTCDTSQ-LBPRGKRZSA-N 1 2 234.343 3.637 20 0 BHADLO Cc1cc[nH+]cc1CCCNc1ccccc1C ZINC000554858849 325738057 /nfs/dbraw/zinc/73/80/57/325738057.db2.gz ZXNWEBKOBOQMIL-UHFFFAOYSA-N 1 2 240.350 3.743 20 0 BHADLO CC(C)C[C@@H](CNc1c[nH]c[nH+]1)c1ccccc1 ZINC000555103495 325747066 /nfs/dbraw/zinc/74/70/66/325747066.db2.gz HQLWMNQEOIMION-AWEZNQCLSA-N 1 2 243.354 3.652 20 0 BHADLO CC(C)C[C@H](CNc1c[nH]c[nH+]1)c1ccccc1 ZINC000555103496 397993351 /nfs/dbraw/zinc/99/33/51/397993351.db2.gz HQLWMNQEOIMION-CQSZACIVSA-N 1 2 243.354 3.652 20 0 BHADLO Cc1cc2ccccc2[nH+]c1N[C@@H]1CCC[C@@H]1F ZINC000555273386 325751385 /nfs/dbraw/zinc/75/13/85/325751385.db2.gz SMISAVIFYNMRSP-GXTWGEPZSA-N 1 2 244.313 3.846 20 0 BHADLO CC[N@@H+](CC1CCC1)c1cccc(C)c1 ZINC000555964580 388863164 /nfs/dbraw/zinc/86/31/64/388863164.db2.gz LRHQANQOPZLJQM-UHFFFAOYSA-N 1 2 203.329 3.621 20 0 BHADLO CC[N@H+](CC1CCC1)c1cccc(C)c1 ZINC000555964580 388863159 /nfs/dbraw/zinc/86/31/59/388863159.db2.gz LRHQANQOPZLJQM-UHFFFAOYSA-N 1 2 203.329 3.621 20 0 BHADLO Cc1ccc([C@H]([NH2+]CC(C)(F)F)C2CCC2)o1 ZINC000556222416 325785427 /nfs/dbraw/zinc/78/54/27/325785427.db2.gz UFVKRGGIYLROGL-GFCCVEGCSA-N 1 2 243.297 3.674 20 0 BHADLO Cc1ccc([C@@H]([NH2+]CC(C)(F)F)C2CCC2)o1 ZINC000556222422 325785265 /nfs/dbraw/zinc/78/52/65/325785265.db2.gz UFVKRGGIYLROGL-LBPRGKRZSA-N 1 2 243.297 3.674 20 0 BHADLO C[C@@H]1CC[C@@H]([NH2+]CC(C)(F)F)c2sccc21 ZINC000556455525 384394170 /nfs/dbraw/zinc/39/41/70/384394170.db2.gz RCGQJHZVNYCQJX-PSASIEDQSA-N 1 2 245.338 3.931 20 0 BHADLO C[C@@H]1CC[C@H]([NH2+]CC(C)(F)F)c2sccc21 ZINC000556455526 322913229 /nfs/dbraw/zinc/91/32/29/322913229.db2.gz RCGQJHZVNYCQJX-SCZZXKLOSA-N 1 2 245.338 3.931 20 0 BHADLO C[C@H]1CC[C@@H]([NH2+]CC(C)(F)F)c2sccc21 ZINC000556455527 384394427 /nfs/dbraw/zinc/39/44/27/384394427.db2.gz RCGQJHZVNYCQJX-WCBMZHEXSA-N 1 2 245.338 3.931 20 0 BHADLO C[C@H]1CC[C@H]([NH2+]CC(C)(F)F)c2sccc21 ZINC000556455528 322913403 /nfs/dbraw/zinc/91/34/03/322913403.db2.gz RCGQJHZVNYCQJX-WPRPVWTQSA-N 1 2 245.338 3.931 20 0 BHADLO CCC[N@H+](Cc1ccc(CC)s1)CC(F)F ZINC000556839399 384516768 /nfs/dbraw/zinc/51/67/68/384516768.db2.gz BUMPBZMMGBGCHC-UHFFFAOYSA-N 1 2 247.354 3.788 20 0 BHADLO CCC[N@@H+](Cc1ccc(CC)s1)CC(F)F ZINC000556839399 384516759 /nfs/dbraw/zinc/51/67/59/384516759.db2.gz BUMPBZMMGBGCHC-UHFFFAOYSA-N 1 2 247.354 3.788 20 0 BHADLO C[C@H]1CCCN1c1cc[nH+]c2c(Cl)cccc12 ZINC000557630567 343714638 /nfs/dbraw/zinc/71/46/38/343714638.db2.gz LVSPILQBBPOGOB-JTQLQIEISA-N 1 2 246.741 3.877 20 0 BHADLO C[C@@H]1CCCN1c1cc[nH+]c2c(Cl)cccc12 ZINC000557630568 343714667 /nfs/dbraw/zinc/71/46/67/343714667.db2.gz LVSPILQBBPOGOB-SNVBAGLBSA-N 1 2 246.741 3.877 20 0 BHADLO C[C@H]1C[C@H](c2ccccc2)N(c2cccc[nH+]2)C1 ZINC000557760869 385112890 /nfs/dbraw/zinc/11/28/90/385112890.db2.gz AWBVOWPYPNOJPP-DZGCQCFKSA-N 1 2 238.334 3.669 20 0 BHADLO C[C@@H]1C[C@@H](c2ccccc2)N(c2cccc[nH+]2)C1 ZINC000557760878 385112434 /nfs/dbraw/zinc/11/24/34/385112434.db2.gz AWBVOWPYPNOJPP-HIFRSBDPSA-N 1 2 238.334 3.669 20 0 BHADLO C[C@@H]1C[C@H](c2ccccc2)N(c2cccc[nH+]2)C1 ZINC000557760879 385112375 /nfs/dbraw/zinc/11/23/75/385112375.db2.gz AWBVOWPYPNOJPP-UKRRQHHQSA-N 1 2 238.334 3.669 20 0 BHADLO C[C@H]1C[C@@H](c2ccccc2)N(c2cccc[nH+]2)C1 ZINC000557760880 322941769 /nfs/dbraw/zinc/94/17/69/322941769.db2.gz AWBVOWPYPNOJPP-ZFWWWQNUSA-N 1 2 238.334 3.669 20 0 BHADLO CC(C)=CCSCc1cn2cccc(C)c2[nH+]1 ZINC000558110134 385312737 /nfs/dbraw/zinc/31/27/37/385312737.db2.gz HEGLLRNJUFQMRE-UHFFFAOYSA-N 1 2 246.379 3.842 20 0 BHADLO CCOc1cc(C)ccc1[NH2+]CCCCCF ZINC000559947075 385251951 /nfs/dbraw/zinc/25/19/51/385251951.db2.gz WGEPFWXGHFQNAK-UHFFFAOYSA-N 1 2 239.334 3.945 20 0 BHADLO CCC1(CC)CN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC000560998935 384441211 /nfs/dbraw/zinc/44/12/11/384441211.db2.gz VMOXILQAENIHBO-UHFFFAOYSA-N 1 2 247.386 3.535 20 0 BHADLO C[C@@H]1CCC[C@@H](C[NH2+][C@H](C2CC2)C(F)(F)F)C1 ZINC000561747486 323006403 /nfs/dbraw/zinc/00/64/03/323006403.db2.gz CBZSKPPALNLDQA-CKYFFXLPSA-N 1 2 249.320 3.743 20 0 BHADLO C[C@@H]1CCC[C@@H](C[NH2+][C@@H](C2CC2)C(F)(F)F)C1 ZINC000561747492 323006435 /nfs/dbraw/zinc/00/64/35/323006435.db2.gz CBZSKPPALNLDQA-FOGDFJRCSA-N 1 2 249.320 3.743 20 0 BHADLO C[C@@H]1CCC[C@H](C[NH2+][C@H](C2CC2)C(F)(F)F)C1 ZINC000561747494 323006341 /nfs/dbraw/zinc/00/63/41/323006341.db2.gz CBZSKPPALNLDQA-JFGNBEQYSA-N 1 2 249.320 3.743 20 0 BHADLO C[C@@H]1CCC[C@H](C[NH2+][C@@H](C2CC2)C(F)(F)F)C1 ZINC000561747495 323006324 /nfs/dbraw/zinc/00/63/24/323006324.db2.gz CBZSKPPALNLDQA-SCVCMEIPSA-N 1 2 249.320 3.743 20 0 BHADLO CC(C)C[C@@H](C)Nc1ccc(N2CCCC2)c[nH+]1 ZINC000561782188 323006884 /nfs/dbraw/zinc/00/68/84/323006884.db2.gz RMLLPLCZBLOULX-CYBMUJFWSA-N 1 2 247.386 3.528 20 0 BHADLO CC(C)C[C@H](C)Nc1ccc(N2CCCC2)c[nH+]1 ZINC000561782202 323006912 /nfs/dbraw/zinc/00/69/12/323006912.db2.gz RMLLPLCZBLOULX-ZDUSSCGKSA-N 1 2 247.386 3.528 20 0 BHADLO CC[C@@H](C)[C@@H](C)Nc1ccc(N2CCCC2)c[nH+]1 ZINC000561782417 323006722 /nfs/dbraw/zinc/00/67/22/323006722.db2.gz YOSVPNVVTPZKRG-CHWSQXEVSA-N 1 2 247.386 3.528 20 0 BHADLO CC[C@@H](C)[C@H](C)Nc1ccc(N2CCCC2)c[nH+]1 ZINC000561782418 323006751 /nfs/dbraw/zinc/00/67/51/323006751.db2.gz YOSVPNVVTPZKRG-OLZOCXBDSA-N 1 2 247.386 3.528 20 0 BHADLO CC[C@H](C)[C@@H](C)Nc1ccc(N2CCCC2)c[nH+]1 ZINC000561782419 323006731 /nfs/dbraw/zinc/00/67/31/323006731.db2.gz YOSVPNVVTPZKRG-QWHCGFSZSA-N 1 2 247.386 3.528 20 0 BHADLO CC[C@H](C)[C@H](C)Nc1ccc(N2CCCC2)c[nH+]1 ZINC000561782420 323006741 /nfs/dbraw/zinc/00/67/41/323006741.db2.gz YOSVPNVVTPZKRG-STQMWFEESA-N 1 2 247.386 3.528 20 0 BHADLO CC[C@@H](C)CN(C)c1ccc2ccccc2[nH+]1 ZINC000561903859 323008602 /nfs/dbraw/zinc/00/86/02/323008602.db2.gz BDHJLRFBQYDRAE-GFCCVEGCSA-N 1 2 228.339 3.717 20 0 BHADLO CC[C@H](C)CN(C)c1ccc2ccccc2[nH+]1 ZINC000561903860 323008554 /nfs/dbraw/zinc/00/85/54/323008554.db2.gz BDHJLRFBQYDRAE-LBPRGKRZSA-N 1 2 228.339 3.717 20 0 BHADLO CC(C)=CC[N@H+]1Cc2cccc(Cl)c2C1 ZINC000561924824 323008732 /nfs/dbraw/zinc/00/87/32/323008732.db2.gz RIYLXSPOXUCJMU-UHFFFAOYSA-N 1 2 221.731 3.622 20 0 BHADLO CC(C)=CC[N@@H+]1Cc2cccc(Cl)c2C1 ZINC000561924824 323008731 /nfs/dbraw/zinc/00/87/31/323008731.db2.gz RIYLXSPOXUCJMU-UHFFFAOYSA-N 1 2 221.731 3.622 20 0 BHADLO c1[nH+]c2c(cc1N[C@@H]1CC[C@@H]1C1CC1)CCCC2 ZINC000562059225 323011373 /nfs/dbraw/zinc/01/13/73/323011373.db2.gz UCTXUCJGIWPSSR-GDBMZVCRSA-N 1 2 242.366 3.561 20 0 BHADLO c1[nH+]c2c(cc1N[C@@H]1CC[C@H]1C1CC1)CCCC2 ZINC000562059229 323011393 /nfs/dbraw/zinc/01/13/93/323011393.db2.gz UCTXUCJGIWPSSR-GOEBONIOSA-N 1 2 242.366 3.561 20 0 BHADLO c1[nH+]c2c(cc1N[C@H]1CC[C@H]1C1CC1)CCCC2 ZINC000562059231 323011428 /nfs/dbraw/zinc/01/14/28/323011428.db2.gz UCTXUCJGIWPSSR-HOCLYGCPSA-N 1 2 242.366 3.561 20 0 BHADLO c1[nH+]c2c(cc1N[C@H]1CC[C@@H]1C1CC1)CCCC2 ZINC000562059232 323011368 /nfs/dbraw/zinc/01/13/68/323011368.db2.gz UCTXUCJGIWPSSR-ZBFHGGJFSA-N 1 2 242.366 3.561 20 0 BHADLO CC[C@@H]1CCN(c2[nH+]ccc3cc(F)ccc32)C1 ZINC000563036625 323080874 /nfs/dbraw/zinc/08/08/74/323080874.db2.gz MIBKJOGJZHRUMH-LLVKDONJSA-N 1 2 244.313 3.610 20 0 BHADLO CC[C@H]1CCN(c2[nH+]ccc3cc(F)ccc32)C1 ZINC000563036633 323080922 /nfs/dbraw/zinc/08/09/22/323080922.db2.gz MIBKJOGJZHRUMH-NSHDSACASA-N 1 2 244.313 3.610 20 0 BHADLO CC1=CCCN(c2[nH+]ccc3cc(F)ccc32)C1 ZINC000563038722 323081175 /nfs/dbraw/zinc/08/11/75/323081175.db2.gz NKNPBRGIOPTPBF-UHFFFAOYSA-N 1 2 242.297 3.530 20 0 BHADLO CC1(C)CCN(c2[nH+]ccc3cc(F)ccc32)C1 ZINC000563039053 323081134 /nfs/dbraw/zinc/08/11/34/323081134.db2.gz QKXFTEARQSJREZ-UHFFFAOYSA-N 1 2 244.313 3.610 20 0 BHADLO CC(C)C[N@@H+](CC1CCOCC1)c1ccccc1 ZINC000563306521 323109054 /nfs/dbraw/zinc/10/90/54/323109054.db2.gz NKZDVMGIBWBFDT-UHFFFAOYSA-N 1 2 247.382 3.576 20 0 BHADLO CC(C)C[N@H+](CC1CCOCC1)c1ccccc1 ZINC000563306521 323109053 /nfs/dbraw/zinc/10/90/53/323109053.db2.gz NKZDVMGIBWBFDT-UHFFFAOYSA-N 1 2 247.382 3.576 20 0 BHADLO Cc1cc(C)c([C@@H](C)[NH2+]CC(C)(F)F)cc1C ZINC000563462761 323127340 /nfs/dbraw/zinc/12/73/40/323127340.db2.gz ORJWJPWRHGUZPR-GFCCVEGCSA-N 1 2 241.325 3.918 20 0 BHADLO Cc1cc(C)c([C@H](C)[NH2+]CC(C)(F)F)cc1C ZINC000563462771 323127335 /nfs/dbraw/zinc/12/73/35/323127335.db2.gz ORJWJPWRHGUZPR-LBPRGKRZSA-N 1 2 241.325 3.918 20 0 BHADLO CC(F)(F)C[NH2+]Cc1cccc2ccccc21 ZINC000563732085 323176676 /nfs/dbraw/zinc/17/66/76/323176676.db2.gz LCYVQFUFPHNBJN-UHFFFAOYSA-N 1 2 235.277 3.585 20 0 BHADLO Cc1[nH]c(CNc2ccc(C)c(Cl)c2)[nH+]c1C ZINC000563899419 323210698 /nfs/dbraw/zinc/21/06/98/323210698.db2.gz VWUSFXJGLJCRTM-UHFFFAOYSA-N 1 2 249.745 3.600 20 0 BHADLO C[C@@H]1C[C@H](C(C)(C)C)CCN1c1cccc[nH+]1 ZINC000564058741 323422642 /nfs/dbraw/zinc/42/26/42/323422642.db2.gz AKKNCQJCFOYYIP-CHWSQXEVSA-N 1 2 232.371 3.733 20 0 BHADLO C[C@@H]1C[C@@H](C(C)(C)C)CCN1c1cccc[nH+]1 ZINC000564058743 387813882 /nfs/dbraw/zinc/81/38/82/387813882.db2.gz AKKNCQJCFOYYIP-OLZOCXBDSA-N 1 2 232.371 3.733 20 0 BHADLO C[C@H]1C[C@H](C(C)(C)C)CCN1c1cccc[nH+]1 ZINC000564058744 387814910 /nfs/dbraw/zinc/81/49/10/387814910.db2.gz AKKNCQJCFOYYIP-QWHCGFSZSA-N 1 2 232.371 3.733 20 0 BHADLO C[C@H]1C[C@@H](C(C)(C)C)CCN1c1cccc[nH+]1 ZINC000564058745 323422463 /nfs/dbraw/zinc/42/24/63/323422463.db2.gz AKKNCQJCFOYYIP-STQMWFEESA-N 1 2 232.371 3.733 20 0 BHADLO FC1(C[N@H+]2CC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000564307740 325301118 /nfs/dbraw/zinc/30/11/18/325301118.db2.gz SIDQHBDBCROVJR-GFCCVEGCSA-N 1 2 239.721 3.589 20 0 BHADLO FC1(C[N@@H+]2CC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000564307740 325301117 /nfs/dbraw/zinc/30/11/17/325301117.db2.gz SIDQHBDBCROVJR-GFCCVEGCSA-N 1 2 239.721 3.589 20 0 BHADLO FC1(C[N@H+]2CC[C@H]2c2ccc(Cl)cc2)CC1 ZINC000564307741 325301412 /nfs/dbraw/zinc/30/14/12/325301412.db2.gz SIDQHBDBCROVJR-LBPRGKRZSA-N 1 2 239.721 3.589 20 0 BHADLO FC1(C[N@@H+]2CC[C@H]2c2ccc(Cl)cc2)CC1 ZINC000564307741 325301409 /nfs/dbraw/zinc/30/14/09/325301409.db2.gz SIDQHBDBCROVJR-LBPRGKRZSA-N 1 2 239.721 3.589 20 0 BHADLO c1[nH]cc(NC2CCC(c3ccccc3)CC2)[nH+]1 ZINC000565283952 388935007 /nfs/dbraw/zinc/93/50/07/388935007.db2.gz ZMGOWWSXIVMMJA-UHFFFAOYSA-N 1 2 241.338 3.548 20 0 BHADLO C/C=C\CSCCc1[nH+]cc(C)cc1C ZINC000565363376 323095708 /nfs/dbraw/zinc/09/57/08/323095708.db2.gz SCUIZUBPRBCAGE-PLNGDYQASA-N 1 2 221.369 3.550 20 0 BHADLO C/C=C/CSCCc1[nH+]cc(C)cc1C ZINC000565363377 323095744 /nfs/dbraw/zinc/09/57/44/323095744.db2.gz SCUIZUBPRBCAGE-SNAWJCMRSA-N 1 2 221.369 3.550 20 0 BHADLO Cc1c[nH+]c(CCSCCCCF)c(C)c1 ZINC000565540218 388952138 /nfs/dbraw/zinc/95/21/38/388952138.db2.gz MLIVMWSZGCRUIZ-UHFFFAOYSA-N 1 2 241.375 3.724 20 0 BHADLO CC(C)CSCCCc1[nH]c2ccccc2[nH+]1 ZINC000565720262 388965977 /nfs/dbraw/zinc/96/59/77/388965977.db2.gz JOYOMEIQLIXRHK-UHFFFAOYSA-N 1 2 248.395 3.885 20 0 BHADLO Cc1cccc(CCSCCCCCF)[nH+]1 ZINC000566238167 326020890 /nfs/dbraw/zinc/02/08/90/326020890.db2.gz HSNIAAQTVBRDBX-UHFFFAOYSA-N 1 2 241.375 3.806 20 0 BHADLO CC(C)=CCSCc1cn2c(cccc2C)[nH+]1 ZINC000566409099 326041164 /nfs/dbraw/zinc/04/11/64/326041164.db2.gz OSKXPLWHMHDGBA-UHFFFAOYSA-N 1 2 246.379 3.842 20 0 BHADLO CCCc1ccccc1NCc1[nH]c(C)c(C)[nH+]1 ZINC000566499605 323003425 /nfs/dbraw/zinc/00/34/25/323003425.db2.gz ZRERMMCERDELTI-UHFFFAOYSA-N 1 2 243.354 3.591 20 0 BHADLO C[C@H](CC(C)(C)c1ccccc1)Nc1c[nH]c[nH+]1 ZINC000566592758 326066190 /nfs/dbraw/zinc/06/61/90/326066190.db2.gz KJKHBDVWJOEZDT-GFCCVEGCSA-N 1 2 243.354 3.578 20 0 BHADLO C[C@@H](CC(C)(C)c1ccccc1)Nc1c[nH]c[nH+]1 ZINC000566592759 326066394 /nfs/dbraw/zinc/06/63/94/326066394.db2.gz KJKHBDVWJOEZDT-LBPRGKRZSA-N 1 2 243.354 3.578 20 0 BHADLO Cc1cccc(CCS[C@H](C)C(C)C)[nH+]1 ZINC000566737955 326078428 /nfs/dbraw/zinc/07/84/28/326078428.db2.gz KQLLNPCQBQHHAF-GFCCVEGCSA-N 1 2 223.385 3.710 20 0 BHADLO Cc1cccc(CCS[C@@H](C)C(C)C)[nH+]1 ZINC000566737960 326078400 /nfs/dbraw/zinc/07/84/00/326078400.db2.gz KQLLNPCQBQHHAF-LBPRGKRZSA-N 1 2 223.385 3.710 20 0 BHADLO COc1ccc2c(c1)[nH+]ccc2OCC=C(C)C ZINC000566995597 326100779 /nfs/dbraw/zinc/10/07/79/326100779.db2.gz OLVMDNLNXUEHMV-UHFFFAOYSA-N 1 2 243.306 3.588 20 0 BHADLO CC(C)=CCSCCc1cccc(C)[nH+]1 ZINC000567614031 326229505 /nfs/dbraw/zinc/22/95/05/326229505.db2.gz ZNAWUCCGMUHHBQ-UHFFFAOYSA-N 1 2 221.369 3.632 20 0 BHADLO Cc1cccc(CCSCCC(F)(F)F)[nH+]1 ZINC000567842888 326268417 /nfs/dbraw/zinc/26/84/17/326268417.db2.gz AZAGNOUAJNEQIJ-UHFFFAOYSA-N 1 2 249.301 3.618 20 0 BHADLO CC[C@@H](C)CSCCc1cccc(C)[nH+]1 ZINC000567883718 326276191 /nfs/dbraw/zinc/27/61/91/326276191.db2.gz FTCNJWLSFBMLPM-LLVKDONJSA-N 1 2 223.385 3.712 20 0 BHADLO CC[C@H](C)CSCCc1cccc(C)[nH+]1 ZINC000567883719 326276254 /nfs/dbraw/zinc/27/62/54/326276254.db2.gz FTCNJWLSFBMLPM-NSHDSACASA-N 1 2 223.385 3.712 20 0 BHADLO Cc1cc2ccccc2[nH+]c1N1CCC=C(C)C1 ZINC000568350037 326347536 /nfs/dbraw/zinc/34/75/36/326347536.db2.gz MVKUOCSKIVFRED-UHFFFAOYSA-N 1 2 238.334 3.700 20 0 BHADLO Cc1[nH]c(CNc2cccc(C(C)C)c2)[nH+]c1C ZINC000568415922 491116726 /nfs/dbraw/zinc/11/67/26/491116726.db2.gz HWTWKDQDZZQZDL-UHFFFAOYSA-N 1 2 243.354 3.762 20 0 BHADLO Cc1cccc(NCCCc2c[nH+]ccc2C)c1 ZINC000568496271 326359762 /nfs/dbraw/zinc/35/97/62/326359762.db2.gz JIGVFYUSJNPJAG-UHFFFAOYSA-N 1 2 240.350 3.743 20 0 BHADLO Cc1[nH]c(CNc2ccc(C(C)C)cc2)[nH+]c1C ZINC000568770357 326376778 /nfs/dbraw/zinc/37/67/78/326376778.db2.gz UDQIUSGZVJGXKN-UHFFFAOYSA-N 1 2 243.354 3.762 20 0 BHADLO Cc1cc2ccccc2[nH+]c1N[C@H]1C[C@@H]1C(F)F ZINC000569370835 383960157 /nfs/dbraw/zinc/96/01/57/383960157.db2.gz GNXVDFZLSJJBEP-JQWIXIFHSA-N 1 2 248.276 3.609 20 0 BHADLO Cc1ccc2c(c1)[C@@H](Nc1cccc[nH+]1)CCC2 ZINC000569382421 322965085 /nfs/dbraw/zinc/96/50/85/322965085.db2.gz OIYMDJYRQKYATR-HNNXBMFYSA-N 1 2 238.334 3.880 20 0 BHADLO CC1(C[N@H+](Cc2ccccc2)CC(F)F)CC1 ZINC000569416644 383996757 /nfs/dbraw/zinc/99/67/57/383996757.db2.gz RWPLDMCRVSXOGD-UHFFFAOYSA-N 1 2 239.309 3.554 20 0 BHADLO CC1(C[N@@H+](Cc2ccccc2)CC(F)F)CC1 ZINC000569416644 383996753 /nfs/dbraw/zinc/99/67/53/383996753.db2.gz RWPLDMCRVSXOGD-UHFFFAOYSA-N 1 2 239.309 3.554 20 0 BHADLO Cc1c[nH+]c(CCSCCC2CC2)c(C)c1 ZINC000569810786 323041551 /nfs/dbraw/zinc/04/15/51/323041551.db2.gz DADIBXBOYIQYQW-UHFFFAOYSA-N 1 2 235.396 3.774 20 0 BHADLO CCCCSCCc1[nH+]c2ccccc2n1C ZINC000569858248 323043132 /nfs/dbraw/zinc/04/31/32/323043132.db2.gz FCZHRUIMJWEHKB-UHFFFAOYSA-N 1 2 248.395 3.649 20 0 BHADLO C[C@@H]([NH2+]CC(C)(F)F)c1cc2ccccc2o1 ZINC000569873128 323043440 /nfs/dbraw/zinc/04/34/40/323043440.db2.gz WULJZLXGSGKGBT-SECBINFHSA-N 1 2 239.265 3.739 20 0 BHADLO C[C@H]([NH2+]CC(C)(F)F)c1cc2ccccc2o1 ZINC000569873129 323043432 /nfs/dbraw/zinc/04/34/32/323043432.db2.gz WULJZLXGSGKGBT-VIFPVBQESA-N 1 2 239.265 3.739 20 0 BHADLO CCc1cccc(N[C@H](C)c2[nH]cc[nH+]2)c1CC ZINC000570651342 323066126 /nfs/dbraw/zinc/06/61/26/323066126.db2.gz ZYANRBSVFLONBT-LLVKDONJSA-N 1 2 243.354 3.708 20 0 BHADLO CCc1cccc(N[C@@H](C)c2[nH]cc[nH+]2)c1CC ZINC000570651344 323066188 /nfs/dbraw/zinc/06/61/88/323066188.db2.gz ZYANRBSVFLONBT-NSHDSACASA-N 1 2 243.354 3.708 20 0 BHADLO Cc1cccc(CCSCCC(C)C)[nH+]1 ZINC000570803427 323070843 /nfs/dbraw/zinc/07/08/43/323070843.db2.gz RXRJTWJHDOOCNV-UHFFFAOYSA-N 1 2 223.385 3.712 20 0 BHADLO Cc1[nH]c(CNc2ccccc2C(C)C)[nH+]c1C ZINC000570867962 323072997 /nfs/dbraw/zinc/07/29/97/323072997.db2.gz NMQWFOCBQHTYCO-UHFFFAOYSA-N 1 2 243.354 3.762 20 0 BHADLO FC1C[NH+](CC2CCC(c3ccccc3)CC2)C1 ZINC000571448010 323145215 /nfs/dbraw/zinc/14/52/15/323145215.db2.gz NWYHGMZYFXMMCK-UHFFFAOYSA-N 1 2 247.357 3.614 20 0 BHADLO FC(F)(F)[C@H]([NH2+]CCC1CCCCC1)C1CC1 ZINC000571448327 323145149 /nfs/dbraw/zinc/14/51/49/323145149.db2.gz BYKXKJCKSQIZHB-GFCCVEGCSA-N 1 2 249.320 3.887 20 0 BHADLO FC(F)(F)[C@@H]([NH2+]CCC1CCCCC1)C1CC1 ZINC000571448328 323145198 /nfs/dbraw/zinc/14/51/98/323145198.db2.gz BYKXKJCKSQIZHB-LBPRGKRZSA-N 1 2 249.320 3.887 20 0 BHADLO c1[nH]cc(N[C@H]2CCCC[C@H]2c2ccccc2)[nH+]1 ZINC000571608189 323149191 /nfs/dbraw/zinc/14/91/91/323149191.db2.gz UFAQRXLFHMBOJO-KBPBESRZSA-N 1 2 241.338 3.548 20 0 BHADLO c1[nH]cc(N[C@H]2CCCC[C@@H]2c2ccccc2)[nH+]1 ZINC000571608190 323149216 /nfs/dbraw/zinc/14/92/16/323149216.db2.gz UFAQRXLFHMBOJO-KGLIPLIRSA-N 1 2 241.338 3.548 20 0 BHADLO c1[nH]cc(N[C@@H]2CCCC[C@H]2c2ccccc2)[nH+]1 ZINC000571608191 323149174 /nfs/dbraw/zinc/14/91/74/323149174.db2.gz UFAQRXLFHMBOJO-UONOGXRCSA-N 1 2 241.338 3.548 20 0 BHADLO c1[nH]cc(N[C@@H]2CCCC[C@@H]2c2ccccc2)[nH+]1 ZINC000571608192 323149235 /nfs/dbraw/zinc/14/92/35/323149235.db2.gz UFAQRXLFHMBOJO-ZIAGYGMSSA-N 1 2 241.338 3.548 20 0 BHADLO CC(C)[N@@H+](CC1CCC1)c1ccccc1 ZINC000571982916 387214690 /nfs/dbraw/zinc/21/46/90/387214690.db2.gz IFBKQWZWFJENRP-UHFFFAOYSA-N 1 2 203.329 3.702 20 0 BHADLO CC(C)[N@H+](CC1CCC1)c1ccccc1 ZINC000571982916 387214688 /nfs/dbraw/zinc/21/46/88/387214688.db2.gz IFBKQWZWFJENRP-UHFFFAOYSA-N 1 2 203.329 3.702 20 0 BHADLO CC[C@H]([NH2+]Cc1ccc(C(F)F)cc1)C(F)F ZINC000572105983 323538640 /nfs/dbraw/zinc/53/86/40/323538640.db2.gz DGEVKESKNHBMBX-JTQLQIEISA-N 1 2 249.251 3.758 20 0 BHADLO CC[C@@H]([NH2+]Cc1ccc(C(F)F)cc1)C(F)F ZINC000572105987 387236304 /nfs/dbraw/zinc/23/63/04/387236304.db2.gz DGEVKESKNHBMBX-SNVBAGLBSA-N 1 2 249.251 3.758 20 0 BHADLO Cc1cccc(CCSCc2ccccc2)[nH+]1 ZINC000572283853 323587026 /nfs/dbraw/zinc/58/70/26/323587026.db2.gz DDPHYBDEYPLODZ-UHFFFAOYSA-N 1 2 243.375 3.866 20 0 BHADLO CCC[C@@H](CCc1ccccc1)Nc1c[nH]c[nH+]1 ZINC000572418045 398140782 /nfs/dbraw/zinc/14/07/82/398140782.db2.gz XRPSOXRIGIXLKS-AWEZNQCLSA-N 1 2 243.354 3.623 20 0 BHADLO CCC[C@H](CCc1ccccc1)Nc1c[nH]c[nH+]1 ZINC000572418046 398141233 /nfs/dbraw/zinc/14/12/33/398141233.db2.gz XRPSOXRIGIXLKS-CQSZACIVSA-N 1 2 243.354 3.623 20 0 BHADLO CC[N@@H+](C[C@@H]1CCC(F)(F)C1)c1ccccc1 ZINC000572740891 388372286 /nfs/dbraw/zinc/37/22/86/388372286.db2.gz GHDPMEUVYYFRGH-GFCCVEGCSA-N 1 2 239.309 3.948 20 0 BHADLO CC[N@H+](C[C@@H]1CCC(F)(F)C1)c1ccccc1 ZINC000572740891 388372281 /nfs/dbraw/zinc/37/22/81/388372281.db2.gz GHDPMEUVYYFRGH-GFCCVEGCSA-N 1 2 239.309 3.948 20 0 BHADLO CC[N@@H+](C[C@H]1CCC(F)(F)C1)c1ccccc1 ZINC000572740892 388371951 /nfs/dbraw/zinc/37/19/51/388371951.db2.gz GHDPMEUVYYFRGH-LBPRGKRZSA-N 1 2 239.309 3.948 20 0 BHADLO CC[N@H+](C[C@H]1CCC(F)(F)C1)c1ccccc1 ZINC000572740892 388371948 /nfs/dbraw/zinc/37/19/48/388371948.db2.gz GHDPMEUVYYFRGH-LBPRGKRZSA-N 1 2 239.309 3.948 20 0 BHADLO c1ccc2c(c1)CCCC[N@@H+]2C[C@H]1CCSC1 ZINC000572764326 388374828 /nfs/dbraw/zinc/37/48/28/388374828.db2.gz RBISYHKCRQQMTC-CYBMUJFWSA-N 1 2 247.407 3.582 20 0 BHADLO c1ccc2c(c1)CCCC[N@H+]2C[C@H]1CCSC1 ZINC000572764326 388374827 /nfs/dbraw/zinc/37/48/27/388374827.db2.gz RBISYHKCRQQMTC-CYBMUJFWSA-N 1 2 247.407 3.582 20 0 BHADLO c1ccc2c(c1)CCCC[N@@H+]2C[C@@H]1CCSC1 ZINC000572764327 388374569 /nfs/dbraw/zinc/37/45/69/388374569.db2.gz RBISYHKCRQQMTC-ZDUSSCGKSA-N 1 2 247.407 3.582 20 0 BHADLO c1ccc2c(c1)CCCC[N@H+]2C[C@@H]1CCSC1 ZINC000572764327 388374567 /nfs/dbraw/zinc/37/45/67/388374567.db2.gz RBISYHKCRQQMTC-ZDUSSCGKSA-N 1 2 247.407 3.582 20 0 BHADLO Cc1cccc2c1cc[nH+]c2N1CC=C(C)CC1 ZINC000574075543 364982917 /nfs/dbraw/zinc/98/29/17/364982917.db2.gz NEHORCAFBCIQHT-UHFFFAOYSA-N 1 2 238.334 3.700 20 0 BHADLO c1[nH]cc(NCc2cccc(-c3ccccc3)c2)[nH+]1 ZINC000574089953 364985623 /nfs/dbraw/zinc/98/56/23/364985623.db2.gz LLVRBQYXXIILIM-UHFFFAOYSA-N 1 2 249.317 3.689 20 0 BHADLO CCc1ccc([C@@H](CC)[NH2+]CC(C)(F)F)cc1 ZINC000574223665 365014934 /nfs/dbraw/zinc/01/49/34/365014934.db2.gz BNBCKSVERWRMQZ-CYBMUJFWSA-N 1 2 241.325 3.945 20 0 BHADLO CCc1ccc([C@H](CC)[NH2+]CC(C)(F)F)cc1 ZINC000574223666 365014711 /nfs/dbraw/zinc/01/47/11/365014711.db2.gz BNBCKSVERWRMQZ-ZDUSSCGKSA-N 1 2 241.325 3.945 20 0 BHADLO CC[N@@H+](CCC1CCCCC1)CC(F)F ZINC000574241098 365017308 /nfs/dbraw/zinc/01/73/08/365017308.db2.gz VWOLOWXHMSXEPR-UHFFFAOYSA-N 1 2 219.319 3.544 20 0 BHADLO CC[N@H+](CCC1CCCCC1)CC(F)F ZINC000574241098 365017302 /nfs/dbraw/zinc/01/73/02/365017302.db2.gz VWOLOWXHMSXEPR-UHFFFAOYSA-N 1 2 219.319 3.544 20 0 BHADLO Cc1[nH]c(CNc2c(C)cc(C)cc2C)[nH+]c1C ZINC000574340339 365042512 /nfs/dbraw/zinc/04/25/12/365042512.db2.gz ZTYMEBWFDIAIDB-UHFFFAOYSA-N 1 2 243.354 3.564 20 0 BHADLO Cc1c[nH+]c(CCSCC2CCC2)c(C)c1 ZINC000574453314 365064684 /nfs/dbraw/zinc/06/46/84/365064684.db2.gz NFJIWEQYRKFGEF-UHFFFAOYSA-N 1 2 235.396 3.774 20 0 BHADLO CC[C@@H](F)CSCCc1[nH+]cc(C)cc1C ZINC000574813114 365150830 /nfs/dbraw/zinc/15/08/30/365150830.db2.gz QHWVUSRJFHUFFV-GFCCVEGCSA-N 1 2 241.375 3.722 20 0 BHADLO CC[C@H](F)CSCCc1[nH+]cc(C)cc1C ZINC000574813115 365150231 /nfs/dbraw/zinc/15/02/31/365150231.db2.gz QHWVUSRJFHUFFV-LBPRGKRZSA-N 1 2 241.375 3.722 20 0 BHADLO CC1CCN(c2[nH+]ccc3cc(F)ccc32)CC1 ZINC000575177263 346480457 /nfs/dbraw/zinc/48/04/57/346480457.db2.gz XZYIOBVTWADIRZ-UHFFFAOYSA-N 1 2 244.313 3.610 20 0 BHADLO Fc1ccc2c(cc[nH+]c2N2CCCCCC2)c1 ZINC000575280648 365276282 /nfs/dbraw/zinc/27/62/82/365276282.db2.gz RLBCFDXQZHHQRL-UHFFFAOYSA-N 1 2 244.313 3.754 20 0 BHADLO CCc1cc(NCc2[nH]c(C)c(C)[nH+]2)ccc1C ZINC000576481344 365608966 /nfs/dbraw/zinc/60/89/66/365608966.db2.gz VEQFHXJDDXTMGE-UHFFFAOYSA-N 1 2 243.354 3.509 20 0 BHADLO CCc1ccc(CC)c(N[C@H](C)c2[nH]cc[nH+]2)c1 ZINC000576605672 365638034 /nfs/dbraw/zinc/63/80/34/365638034.db2.gz KWZDLMXBPIHTEL-LLVKDONJSA-N 1 2 243.354 3.708 20 0 BHADLO CCc1ccc(CC)c(N[C@@H](C)c2[nH]cc[nH+]2)c1 ZINC000576605673 365639796 /nfs/dbraw/zinc/63/97/96/365639796.db2.gz KWZDLMXBPIHTEL-NSHDSACASA-N 1 2 243.354 3.708 20 0 BHADLO Cc1cccc2c1cc[nH+]c2N1CCC=C(F)C1 ZINC000576748606 365675664 /nfs/dbraw/zinc/67/56/64/365675664.db2.gz SIGMBTLRMZGGGI-UHFFFAOYSA-N 1 2 242.297 3.607 20 0 BHADLO CN(c1cc[nH+]c2c(Cl)cccc12)C1CCC1 ZINC000576776479 365683679 /nfs/dbraw/zinc/68/36/79/365683679.db2.gz NYRMLAXWCLKSAW-UHFFFAOYSA-N 1 2 246.741 3.877 20 0 BHADLO CC[C@@H](F)C[N@H+]1CCc2sc(Cl)cc2C1 ZINC000577105520 365817877 /nfs/dbraw/zinc/81/78/77/365817877.db2.gz MVKLBOVYMMIUNO-SECBINFHSA-N 1 2 247.766 3.508 20 0 BHADLO CC[C@@H](F)C[N@@H+]1CCc2sc(Cl)cc2C1 ZINC000577105520 365817869 /nfs/dbraw/zinc/81/78/69/365817869.db2.gz MVKLBOVYMMIUNO-SECBINFHSA-N 1 2 247.766 3.508 20 0 BHADLO CC[C@H](F)C[N@H+]1CCc2sc(Cl)cc2C1 ZINC000577105521 365817378 /nfs/dbraw/zinc/81/73/78/365817378.db2.gz MVKLBOVYMMIUNO-VIFPVBQESA-N 1 2 247.766 3.508 20 0 BHADLO CC[C@H](F)C[N@@H+]1CCc2sc(Cl)cc2C1 ZINC000577105521 365817372 /nfs/dbraw/zinc/81/73/72/365817372.db2.gz MVKLBOVYMMIUNO-VIFPVBQESA-N 1 2 247.766 3.508 20 0 BHADLO CC[C@@H]([NH2+]CC(C)(F)F)c1cc(F)ccc1F ZINC000577165965 365849417 /nfs/dbraw/zinc/84/94/17/365849417.db2.gz JCRZWZQZVXVBAE-LLVKDONJSA-N 1 2 249.251 3.661 20 0 BHADLO CC[C@H]([NH2+]CC(C)(F)F)c1cc(F)ccc1F ZINC000577165966 365849991 /nfs/dbraw/zinc/84/99/91/365849991.db2.gz JCRZWZQZVXVBAE-NSHDSACASA-N 1 2 249.251 3.661 20 0 BHADLO CC[N@H+](C/C(C)=C\c1ccccc1)CC(F)F ZINC000577426729 365951835 /nfs/dbraw/zinc/95/18/35/365951835.db2.gz XAWWNTDAJMNTSR-XFXZXTDPSA-N 1 2 239.309 3.677 20 0 BHADLO CC[N@@H+](C/C(C)=C\c1ccccc1)CC(F)F ZINC000577426729 365951832 /nfs/dbraw/zinc/95/18/32/365951832.db2.gz XAWWNTDAJMNTSR-XFXZXTDPSA-N 1 2 239.309 3.677 20 0 BHADLO Cc1[nH]c(CNc2ccc(C)cc2Cl)[nH+]c1C ZINC000577510635 365974588 /nfs/dbraw/zinc/97/45/88/365974588.db2.gz ZEDWEFWXVNMZDV-UHFFFAOYSA-N 1 2 249.745 3.600 20 0 BHADLO c1ccc([C@@H]2CCC[C@H]2Nc2cccc[nH+]2)cc1 ZINC000577741833 366049092 /nfs/dbraw/zinc/04/90/92/366049092.db2.gz GNDYQOJZZIBBJR-LSDHHAIUSA-N 1 2 238.334 3.830 20 0 BHADLO CC(F)(F)C[NH2+]Cc1ccc2ccccc2c1 ZINC000577892725 366097929 /nfs/dbraw/zinc/09/79/29/366097929.db2.gz FTFOMEOAOYSUCQ-UHFFFAOYSA-N 1 2 235.277 3.585 20 0 BHADLO Cc1cccc2c1cc[nH+]c2N1CCC=C(C)C1 ZINC000578066480 366214300 /nfs/dbraw/zinc/21/43/00/366214300.db2.gz VCOJVBCHXXOMDD-UHFFFAOYSA-N 1 2 238.334 3.700 20 0 BHADLO CCN(CC(C)(C)C)c1cc(C)[nH+]c(C2CC2)n1 ZINC000578404718 366556870 /nfs/dbraw/zinc/55/68/70/366556870.db2.gz BGUDDUKAHNUHBT-UHFFFAOYSA-N 1 2 247.386 3.535 20 0 BHADLO c1[nH]cc(NC2CCC3(CCCCC3)CC2)[nH+]1 ZINC000578824509 366653071 /nfs/dbraw/zinc/65/30/71/366653071.db2.gz MJJGDBRRNJEAPU-UHFFFAOYSA-N 1 2 233.359 3.715 20 0 BHADLO CC=Cc1ccc(NCc2[nH]c(C)c(C)[nH+]2)cc1 ZINC000578884740 366667889 /nfs/dbraw/zinc/66/78/89/366667889.db2.gz QZMXZMQSVYDIIN-PLNGDYQASA-N 1 2 241.338 3.672 20 0 BHADLO C/C=C\c1ccc(NCc2[nH]c(C)c(C)[nH+]2)cc1 ZINC000578884740 366667884 /nfs/dbraw/zinc/66/78/84/366667884.db2.gz QZMXZMQSVYDIIN-PLNGDYQASA-N 1 2 241.338 3.672 20 0 BHADLO CC=Cc1ccc(NCc2[nH]c(C)c(C)[nH+]2)cc1 ZINC000578884741 344921509 /nfs/dbraw/zinc/92/15/09/344921509.db2.gz QZMXZMQSVYDIIN-SNAWJCMRSA-N 1 2 241.338 3.672 20 0 BHADLO C/C=C/c1ccc(NCc2[nH]c(C)c(C)[nH+]2)cc1 ZINC000578884741 344921506 /nfs/dbraw/zinc/92/15/06/344921506.db2.gz QZMXZMQSVYDIIN-SNAWJCMRSA-N 1 2 241.338 3.672 20 0 BHADLO c1[nH]cc(NCc2ccc(C3CCCC3)cc2)[nH+]1 ZINC000579178187 490226222 /nfs/dbraw/zinc/22/62/22/490226222.db2.gz LZMFUILKCLSLES-UHFFFAOYSA-N 1 2 241.338 3.679 20 0 BHADLO CC(C)c1ccccc1[N@@H+](C)CC1CCOCC1 ZINC000579521389 366844876 /nfs/dbraw/zinc/84/48/76/366844876.db2.gz VGDNLEAVVKARIZ-UHFFFAOYSA-N 1 2 247.382 3.673 20 0 BHADLO CC(C)c1ccccc1[N@H+](C)CC1CCOCC1 ZINC000579521389 366844872 /nfs/dbraw/zinc/84/48/72/366844872.db2.gz VGDNLEAVVKARIZ-UHFFFAOYSA-N 1 2 247.382 3.673 20 0 BHADLO Cc1cccc(C[N@H+]2CCC[C@@H]2C(F)F)c1C ZINC000580006054 367120534 /nfs/dbraw/zinc/12/05/34/367120534.db2.gz JRPRSAYFSPQBFY-CYBMUJFWSA-N 1 2 239.309 3.533 20 0 BHADLO Cc1cccc(C[N@@H+]2CCC[C@@H]2C(F)F)c1C ZINC000580006054 367120528 /nfs/dbraw/zinc/12/05/28/367120528.db2.gz JRPRSAYFSPQBFY-CYBMUJFWSA-N 1 2 239.309 3.533 20 0 BHADLO Cc1[nH]c(CNc2cccc(C)c2Cl)[nH+]c1C ZINC000580217298 346703732 /nfs/dbraw/zinc/70/37/32/346703732.db2.gz ZMEVFDPLLHONSE-UHFFFAOYSA-N 1 2 249.745 3.600 20 0 BHADLO Cc1[nH]c(CNc2cc(Cl)ccc2C)[nH+]c1C ZINC000580346999 353816619 /nfs/dbraw/zinc/81/66/19/353816619.db2.gz HMIGYNDOZFIROF-UHFFFAOYSA-N 1 2 249.745 3.600 20 0 BHADLO CCCC[C@@H](C)N(C)c1cc[nH+]c(C(C)C)n1 ZINC000580608298 365809722 /nfs/dbraw/zinc/80/97/22/365809722.db2.gz XZLKDJKUQPQTGD-GFCCVEGCSA-N 1 2 235.375 3.615 20 0 BHADLO CCCC[C@H](C)N(C)c1cc[nH+]c(C(C)C)n1 ZINC000580608299 365809404 /nfs/dbraw/zinc/80/94/04/365809404.db2.gz XZLKDJKUQPQTGD-LBPRGKRZSA-N 1 2 235.375 3.615 20 0 BHADLO Cc1c[nH+]c(CCSCC(C)C)c(C)c1 ZINC000580773948 367162480 /nfs/dbraw/zinc/16/24/80/367162480.db2.gz KJRRRFONPRJAND-UHFFFAOYSA-N 1 2 223.385 3.630 20 0 BHADLO CC[N@@H+](CC1CCC1)c1ccccc1C ZINC000581050635 367245201 /nfs/dbraw/zinc/24/52/01/367245201.db2.gz HKPVKUOVXQUARJ-UHFFFAOYSA-N 1 2 203.329 3.621 20 0 BHADLO CC[N@H+](CC1CCC1)c1ccccc1C ZINC000581050635 367245195 /nfs/dbraw/zinc/24/51/95/367245195.db2.gz HKPVKUOVXQUARJ-UHFFFAOYSA-N 1 2 203.329 3.621 20 0 BHADLO Cc1cc2ccccc2[nH+]c1N1CCC=C(F)C1 ZINC000581345688 367362843 /nfs/dbraw/zinc/36/28/43/367362843.db2.gz FCAPXWMUAXWFQJ-UHFFFAOYSA-N 1 2 242.297 3.607 20 0 BHADLO Cc1[nH]c(CNc2cc(C)ccc2Cl)[nH+]c1C ZINC000581954913 368021127 /nfs/dbraw/zinc/02/11/27/368021127.db2.gz PCWSGFTUITVMBS-UHFFFAOYSA-N 1 2 249.745 3.600 20 0 BHADLO c1[nH]cc(NCc2ccc(-c3ccccc3)cc2)[nH+]1 ZINC000582877292 357416937 /nfs/dbraw/zinc/41/69/37/357416937.db2.gz KRURVWTWKCYDAH-UHFFFAOYSA-N 1 2 249.317 3.689 20 0 BHADLO COc1cc(C)[nH+]c(CSCC=C(C)C)c1 ZINC000583226039 357638363 /nfs/dbraw/zinc/63/83/63/357638363.db2.gz MDQPFPFBPDJCDT-UHFFFAOYSA-N 1 2 237.368 3.598 20 0 BHADLO c1ccc2[nH+]c(CCCSC3CCC3)[nH]c2c1 ZINC000583444924 344986004 /nfs/dbraw/zinc/98/60/04/344986004.db2.gz PWYZMEXXHPQXMV-UHFFFAOYSA-N 1 2 246.379 3.781 20 0 BHADLO Cc1ccc(C[N@H+]2CCC[C@@H]2C(F)F)c(C)c1 ZINC000583745038 357932824 /nfs/dbraw/zinc/93/28/24/357932824.db2.gz CBXWDOGWRJHIOU-CYBMUJFWSA-N 1 2 239.309 3.533 20 0 BHADLO Cc1ccc(C[N@@H+]2CCC[C@@H]2C(F)F)c(C)c1 ZINC000583745038 357932821 /nfs/dbraw/zinc/93/28/21/357932821.db2.gz CBXWDOGWRJHIOU-CYBMUJFWSA-N 1 2 239.309 3.533 20 0 BHADLO C[C@H]1CC[C@H]([NH2+]CC(C)(F)F)c2ccccc21 ZINC000583922255 342726406 /nfs/dbraw/zinc/72/64/06/342726406.db2.gz GHNCECHAMJOBKL-GWCFXTLKSA-N 1 2 239.309 3.870 20 0 BHADLO C[C@H]1CC[C@@H]([NH2+]CC(C)(F)F)c2ccccc21 ZINC000583922256 342726527 /nfs/dbraw/zinc/72/65/27/342726527.db2.gz GHNCECHAMJOBKL-GXFFZTMASA-N 1 2 239.309 3.870 20 0 BHADLO C[C@@H]1CC[C@H]([NH2+]CC(C)(F)F)c2ccccc21 ZINC000583922257 342726475 /nfs/dbraw/zinc/72/64/75/342726475.db2.gz GHNCECHAMJOBKL-MFKMUULPSA-N 1 2 239.309 3.870 20 0 BHADLO C[C@@H]1CC[C@@H]([NH2+]CC(C)(F)F)c2ccccc21 ZINC000583922258 342726402 /nfs/dbraw/zinc/72/64/02/342726402.db2.gz GHNCECHAMJOBKL-ZWNOBZJWSA-N 1 2 239.309 3.870 20 0 BHADLO C[C@@H]1CCCC[C@H]1C[NH2+][C@H](C1CC1)C(F)(F)F ZINC000584254981 344207728 /nfs/dbraw/zinc/20/77/28/344207728.db2.gz NNXBFAZNHMDZHD-ADEWGFFLSA-N 1 2 249.320 3.743 20 0 BHADLO C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H](C1CC1)C(F)(F)F ZINC000584254982 344207581 /nfs/dbraw/zinc/20/75/81/344207581.db2.gz NNXBFAZNHMDZHD-JLLWLGSASA-N 1 2 249.320 3.743 20 0 BHADLO C[C@@H]1CCCC[C@H]1C[NH2+][C@@H](C1CC1)C(F)(F)F ZINC000584254983 344207576 /nfs/dbraw/zinc/20/75/76/344207576.db2.gz NNXBFAZNHMDZHD-USWWRNFRSA-N 1 2 249.320 3.743 20 0 BHADLO C[C@@H]1CCCC[C@@H]1C[NH2+][C@H](C1CC1)C(F)(F)F ZINC000584254984 344207652 /nfs/dbraw/zinc/20/76/52/344207652.db2.gz NNXBFAZNHMDZHD-YUSALJHKSA-N 1 2 249.320 3.743 20 0 BHADLO FC(F)c1ccc(C[NH2+]C2(C(F)F)CC2)cc1 ZINC000584303300 344440634 /nfs/dbraw/zinc/44/06/34/344440634.db2.gz OOTFKFLKPRNYFT-UHFFFAOYSA-N 1 2 247.235 3.512 20 0 BHADLO CCc1ccc(NCc2[nH]c(C)c(C)[nH+]2)cc1C ZINC000584422457 357919258 /nfs/dbraw/zinc/91/92/58/357919258.db2.gz XSERIECMGUZONS-UHFFFAOYSA-N 1 2 243.354 3.509 20 0 BHADLO CC1=CCN(c2[nH+]ccc3cc(F)ccc32)CC1 ZINC000584466454 357993487 /nfs/dbraw/zinc/99/34/87/357993487.db2.gz VTZVPWOWGJJLHP-UHFFFAOYSA-N 1 2 242.297 3.530 20 0 BHADLO Cc1[nH]c(CNc2cccc(Cl)c2C)[nH+]c1C ZINC000584480728 357996652 /nfs/dbraw/zinc/99/66/52/357996652.db2.gz LOQSUJVGPNABKN-UHFFFAOYSA-N 1 2 249.745 3.600 20 0 BHADLO Cc1cc(N2CCCC2)ccc1[NH2+]CC1(C)CC1 ZINC000584565738 358060317 /nfs/dbraw/zinc/06/03/17/358060317.db2.gz VANCHAJIRRAHJE-UHFFFAOYSA-N 1 2 244.382 3.807 20 0 BHADLO c1cc2c(nc[nH+]c2SCC2CCCCC2)[nH]1 ZINC000588898320 344198224 /nfs/dbraw/zinc/19/82/24/344198224.db2.gz MTQRGXRIPXRVJS-UHFFFAOYSA-N 1 2 247.367 3.630 20 0 BHADLO Cc1cccc([N@@H+](C)CC2CCCC2)c1 ZINC000589189444 346672233 /nfs/dbraw/zinc/67/22/33/346672233.db2.gz QPAILCHWFMJLID-UHFFFAOYSA-N 1 2 203.329 3.621 20 0 BHADLO Cc1cccc([N@H+](C)CC2CCCC2)c1 ZINC000589189444 346672230 /nfs/dbraw/zinc/67/22/30/346672230.db2.gz QPAILCHWFMJLID-UHFFFAOYSA-N 1 2 203.329 3.621 20 0 BHADLO c1ccc(CCCCCNc2cccc[nH+]2)cc1 ZINC000590053969 346768997 /nfs/dbraw/zinc/76/89/97/346768997.db2.gz MHVKBNRLSAPMEE-UHFFFAOYSA-N 1 2 240.350 3.907 20 0 BHADLO CCC[C@@H](Cc1ccccc1)Nc1cccc[nH+]1 ZINC000590055919 346768600 /nfs/dbraw/zinc/76/86/00/346768600.db2.gz DFFWOQFCOSBEJS-HNNXBMFYSA-N 1 2 240.350 3.905 20 0 BHADLO CCC[C@H](Cc1ccccc1)Nc1cccc[nH+]1 ZINC000590055920 346768195 /nfs/dbraw/zinc/76/81/95/346768195.db2.gz DFFWOQFCOSBEJS-OAHLLOKOSA-N 1 2 240.350 3.905 20 0 BHADLO c1[nH+]c(S[C@@H]2C=CCCC2)n2ccccc12 ZINC000590385234 347057651 /nfs/dbraw/zinc/05/76/51/347057651.db2.gz BUMWMPMSNVYDMO-GFCCVEGCSA-N 1 2 230.336 3.535 20 0 BHADLO c1[nH+]c(S[C@H]2C=CCCC2)n2ccccc12 ZINC000590385249 347057534 /nfs/dbraw/zinc/05/75/34/347057534.db2.gz BUMWMPMSNVYDMO-LBPRGKRZSA-N 1 2 230.336 3.535 20 0 BHADLO c1c(CSCC2=CCCC2)[nH+]c2ccccn12 ZINC000592453387 347781541 /nfs/dbraw/zinc/78/15/41/347781541.db2.gz LBTLLIVUIGLTQR-UHFFFAOYSA-N 1 2 244.363 3.678 20 0 BHADLO Cc1cccc(CCSCC2=CCCC2)[nH+]1 ZINC000592459405 385572172 /nfs/dbraw/zinc/57/21/72/385572172.db2.gz DLZHFHGRLYWTFX-UHFFFAOYSA-N 1 2 233.380 3.776 20 0 BHADLO CCCSCc1cccc(-c2c[nH]c[nH+]2)c1 ZINC000592984877 347836404 /nfs/dbraw/zinc/83/64/04/347836404.db2.gz BQNYUHJVWKXJBE-UHFFFAOYSA-N 1 2 232.352 3.720 20 0 BHADLO CCCSCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000592984915 347836185 /nfs/dbraw/zinc/83/61/85/347836185.db2.gz CUYWYWPEPDLSNN-UHFFFAOYSA-N 1 2 232.352 3.720 20 0 BHADLO CCCSCc1cccc(-c2c[nH+]cn2C)c1 ZINC000592986876 347836834 /nfs/dbraw/zinc/83/68/34/347836834.db2.gz SBCVHWGBBBBSGB-UHFFFAOYSA-N 1 2 246.379 3.730 20 0 BHADLO C1=CCC(CSCc2cn3ccccc3[nH+]2)C1 ZINC000596342826 348500642 /nfs/dbraw/zinc/50/06/42/348500642.db2.gz BEQGPFPDMAPROI-UHFFFAOYSA-N 1 2 244.363 3.534 20 0 BHADLO COc1cc(C)[nH+]c(CSCC2CC=CC2)c1 ZINC000596353022 348519791 /nfs/dbraw/zinc/51/97/91/348519791.db2.gz SYCWJWVMOQRXHG-UHFFFAOYSA-N 1 2 249.379 3.598 20 0 BHADLO Cc1ccc(CSCC2CC=CC2)c(C)[nH+]1 ZINC000596358972 348523136 /nfs/dbraw/zinc/52/31/36/348523136.db2.gz BMMZFWBPJVQWEU-UHFFFAOYSA-N 1 2 233.380 3.898 20 0 BHADLO COc1cc[nH+]cc1CSCCC=C(C)C ZINC000596364590 348510464 /nfs/dbraw/zinc/51/04/64/348510464.db2.gz PDALPPBMEJKODZ-UHFFFAOYSA-N 1 2 237.368 3.680 20 0 BHADLO COc1cc[nH+]cc1CSCCC1CCC1 ZINC000596365313 348510993 /nfs/dbraw/zinc/51/09/93/348510993.db2.gz YSBQEFRBRZJLEA-UHFFFAOYSA-N 1 2 237.368 3.514 20 0 BHADLO Cc1cccc(CCSCC2CC=CC2)[nH+]1 ZINC000596412012 348537379 /nfs/dbraw/zinc/53/73/79/348537379.db2.gz DPYXORJXYSGSNQ-UHFFFAOYSA-N 1 2 233.380 3.632 20 0 BHADLO Cc1c[nH+]c(CCSCC2CC=CC2)c(C)c1 ZINC000596412426 348537982 /nfs/dbraw/zinc/53/79/82/348537982.db2.gz FJLDURIEIMFRGC-UHFFFAOYSA-N 1 2 247.407 3.940 20 0 BHADLO Cc1cccc(CCSC[C@@H]2C[C@H]3C[C@H]3C2)[nH+]1 ZINC000596431512 487892970 /nfs/dbraw/zinc/89/29/70/487892970.db2.gz YJRZNXMOCLIPOG-BTTYYORXSA-N 1 2 247.407 3.712 20 0 BHADLO CCN(c1cc[nH+]c(C(C)C)n1)C1CCCCC1 ZINC000599435318 349175331 /nfs/dbraw/zinc/17/53/31/349175331.db2.gz DYNJMNLMQINQMM-UHFFFAOYSA-N 1 2 247.386 3.759 20 0 BHADLO CC(C)c1nc(N(C)CC2CCCCC2)cc[nH+]1 ZINC000599453967 349199848 /nfs/dbraw/zinc/19/98/48/349199848.db2.gz CBXRARNXSUKIKT-UHFFFAOYSA-N 1 2 247.386 3.617 20 0 BHADLO CCCN(CC1CCCCC1)c1cc(C)[nH+]cn1 ZINC000599543974 349214346 /nfs/dbraw/zinc/21/43/46/349214346.db2.gz RATHNXCZHTXVFA-UHFFFAOYSA-N 1 2 247.386 3.582 20 0 BHADLO c1ccc(N2CCCC3(CCCCC3)C2)[nH+]c1 ZINC000599964000 349275427 /nfs/dbraw/zinc/27/54/27/349275427.db2.gz YIXYVEDDAXNZEU-UHFFFAOYSA-N 1 2 230.355 3.632 20 0 BHADLO Cc1cc2[nH+]cn(CSC(C)C)c2cc1C ZINC000600535441 344259781 /nfs/dbraw/zinc/25/97/81/344259781.db2.gz ZYZXJGQLAWTIOY-UHFFFAOYSA-N 1 2 234.368 3.752 20 0 BHADLO Cc1c[nH+]ccc1CCSC[C@@H]1C[C@H]2C[C@H]2C1 ZINC000600576009 344291068 /nfs/dbraw/zinc/29/10/68/344291068.db2.gz DNSNLHSRLGCVAS-YOWGUQMCSA-N 1 2 247.407 3.712 20 0 BHADLO C[C@H](SCCCn1cc[nH+]c1)c1ccccc1 ZINC000600602030 344338248 /nfs/dbraw/zinc/33/82/48/344338248.db2.gz LRELQEVZMCDGCU-ZDUSSCGKSA-N 1 2 246.379 3.768 20 0 BHADLO Cc1ccc(CSC[C@H]2C[C@H]2C)c(C)[nH+]1 ZINC000600630040 344345396 /nfs/dbraw/zinc/34/53/96/344345396.db2.gz QDUIILIAHFFMJY-NOZJJQNGSA-N 1 2 221.369 3.588 20 0 BHADLO Cc1ccc(CSC[C@@H]2C[C@H]2C)c(C)[nH+]1 ZINC000600630041 344345379 /nfs/dbraw/zinc/34/53/79/344345379.db2.gz QDUIILIAHFFMJY-RNCFNFMXSA-N 1 2 221.369 3.588 20 0 BHADLO Cc1ccc(CSC[C@H]2C[C@@H]2C)c(C)[nH+]1 ZINC000600630042 344345431 /nfs/dbraw/zinc/34/54/31/344345431.db2.gz QDUIILIAHFFMJY-TVQRCGJNSA-N 1 2 221.369 3.588 20 0 BHADLO Cc1ccc(CSC[C@@H]2C[C@@H]2C)c(C)[nH+]1 ZINC000600630044 344345363 /nfs/dbraw/zinc/34/53/63/344345363.db2.gz QDUIILIAHFFMJY-ZANVPECISA-N 1 2 221.369 3.588 20 0 BHADLO Cc1c[nH+]c(CCSC[C@@H]2C[C@@H]2C)c(C)c1 ZINC000600643380 344349994 /nfs/dbraw/zinc/34/99/94/344349994.db2.gz CFWIPUSXOFYGLC-AAEUAGOBSA-N 1 2 235.396 3.630 20 0 BHADLO Cc1c[nH+]c(CCSC[C@H]2C[C@H]2C)c(C)c1 ZINC000600643381 344350158 /nfs/dbraw/zinc/35/01/58/344350158.db2.gz CFWIPUSXOFYGLC-DGCLKSJQSA-N 1 2 235.396 3.630 20 0 BHADLO Cc1c[nH+]c(CCSC[C@H]2C[C@@H]2C)c(C)c1 ZINC000600643382 344349906 /nfs/dbraw/zinc/34/99/06/344349906.db2.gz CFWIPUSXOFYGLC-WCQYABFASA-N 1 2 235.396 3.630 20 0 BHADLO Cc1c[nH+]c(CCSC[C@@H]2C[C@H]2C)c(C)c1 ZINC000600643383 344350074 /nfs/dbraw/zinc/35/00/74/344350074.db2.gz CFWIPUSXOFYGLC-YPMHNXCESA-N 1 2 235.396 3.630 20 0 BHADLO CC[C@@H](C)CSCCc1[nH]c2ccccc2[nH+]1 ZINC000600847024 344382847 /nfs/dbraw/zinc/38/28/47/344382847.db2.gz OJYAHAUJSFIKKI-LLVKDONJSA-N 1 2 248.395 3.885 20 0 BHADLO CC[C@H](C)CSCCc1[nH]c2ccccc2[nH+]1 ZINC000600847026 344382933 /nfs/dbraw/zinc/38/29/33/344382933.db2.gz OJYAHAUJSFIKKI-NSHDSACASA-N 1 2 248.395 3.885 20 0 BHADLO Cn1c[nH+]c(CSC(C)(C)c2ccccc2)c1 ZINC000603327026 349924224 /nfs/dbraw/zinc/92/42/24/349924224.db2.gz BGYSKVMQPCWTLL-UHFFFAOYSA-N 1 2 246.379 3.589 20 0 BHADLO CC[C@H](SCc1cn(C)c[nH+]1)c1ccccc1 ZINC000603329269 349925025 /nfs/dbraw/zinc/92/50/25/349925025.db2.gz LEBPLEAAAVTRBY-AWEZNQCLSA-N 1 2 246.379 3.805 20 0 BHADLO CC[C@@H](SCc1cn(C)c[nH+]1)c1ccccc1 ZINC000603329272 349925128 /nfs/dbraw/zinc/92/51/28/349925128.db2.gz LEBPLEAAAVTRBY-CQSZACIVSA-N 1 2 246.379 3.805 20 0 BHADLO CCc1ccc([C@@H]([NH2+]CC(F)F)C(C)C)cc1 ZINC000603408234 349958155 /nfs/dbraw/zinc/95/81/55/349958155.db2.gz XZQZKIXDIFUAKP-AWEZNQCLSA-N 1 2 241.325 3.801 20 0 BHADLO CCc1ccc([C@H]([NH2+]CC(F)F)C(C)C)cc1 ZINC000603408235 349957930 /nfs/dbraw/zinc/95/79/30/349957930.db2.gz XZQZKIXDIFUAKP-CQSZACIVSA-N 1 2 241.325 3.801 20 0 BHADLO FC(F)C[N@H+]1CCCCC[C@@H]1c1ccccc1 ZINC000603409621 349958779 /nfs/dbraw/zinc/95/87/79/349958779.db2.gz BUPHUFUQOITUQP-CYBMUJFWSA-N 1 2 239.309 3.869 20 0 BHADLO FC(F)C[N@@H+]1CCCCC[C@@H]1c1ccccc1 ZINC000603409621 349958777 /nfs/dbraw/zinc/95/87/77/349958777.db2.gz BUPHUFUQOITUQP-CYBMUJFWSA-N 1 2 239.309 3.869 20 0 BHADLO FC(F)C[N@H+]1CCCCC[C@H]1c1ccccc1 ZINC000603409622 349958679 /nfs/dbraw/zinc/95/86/79/349958679.db2.gz BUPHUFUQOITUQP-ZDUSSCGKSA-N 1 2 239.309 3.869 20 0 BHADLO FC(F)C[N@@H+]1CCCCC[C@H]1c1ccccc1 ZINC000603409622 349958678 /nfs/dbraw/zinc/95/86/78/349958678.db2.gz BUPHUFUQOITUQP-ZDUSSCGKSA-N 1 2 239.309 3.869 20 0 BHADLO Cc1ccc([C@@H](C)[N@@H+](C)CC(F)F)c(C)c1 ZINC000603409701 349958904 /nfs/dbraw/zinc/95/89/04/349958904.db2.gz QVJCHSKQJFKSHW-LLVKDONJSA-N 1 2 227.298 3.561 20 0 BHADLO Cc1ccc([C@@H](C)[N@H+](C)CC(F)F)c(C)c1 ZINC000603409701 349958903 /nfs/dbraw/zinc/95/89/03/349958903.db2.gz QVJCHSKQJFKSHW-LLVKDONJSA-N 1 2 227.298 3.561 20 0 BHADLO Cc1ccc([C@H](C)[N@@H+](C)CC(F)F)c(C)c1 ZINC000603409702 349958724 /nfs/dbraw/zinc/95/87/24/349958724.db2.gz QVJCHSKQJFKSHW-NSHDSACASA-N 1 2 227.298 3.561 20 0 BHADLO Cc1ccc([C@H](C)[N@H+](C)CC(F)F)c(C)c1 ZINC000603409702 349958723 /nfs/dbraw/zinc/95/87/23/349958723.db2.gz QVJCHSKQJFKSHW-NSHDSACASA-N 1 2 227.298 3.561 20 0 BHADLO Cc1ccc([C@H]2CCC[N@H+]2CC(F)F)cc1C ZINC000603410039 349959692 /nfs/dbraw/zinc/95/96/92/349959692.db2.gz YPRGOWKXIRXRDF-CYBMUJFWSA-N 1 2 239.309 3.705 20 0 BHADLO Cc1ccc([C@H]2CCC[N@@H+]2CC(F)F)cc1C ZINC000603410039 349959688 /nfs/dbraw/zinc/95/96/88/349959688.db2.gz YPRGOWKXIRXRDF-CYBMUJFWSA-N 1 2 239.309 3.705 20 0 BHADLO Cc1ccc([C@@H]2CCC[N@H+]2CC(F)F)cc1C ZINC000603410040 349959612 /nfs/dbraw/zinc/95/96/12/349959612.db2.gz YPRGOWKXIRXRDF-ZDUSSCGKSA-N 1 2 239.309 3.705 20 0 BHADLO Cc1ccc([C@@H]2CCC[N@@H+]2CC(F)F)cc1C ZINC000603410040 349959610 /nfs/dbraw/zinc/95/96/10/349959610.db2.gz YPRGOWKXIRXRDF-ZDUSSCGKSA-N 1 2 239.309 3.705 20 0 BHADLO CCC[N@@H+](CC(F)F)[C@@H]1CCc2ccccc21 ZINC000603412424 349961517 /nfs/dbraw/zinc/96/15/17/349961517.db2.gz GUZYKYFOTUNFIW-CYBMUJFWSA-N 1 2 239.309 3.651 20 0 BHADLO CCC[N@H+](CC(F)F)[C@@H]1CCc2ccccc21 ZINC000603412424 349961515 /nfs/dbraw/zinc/96/15/15/349961515.db2.gz GUZYKYFOTUNFIW-CYBMUJFWSA-N 1 2 239.309 3.651 20 0 BHADLO CCC[N@@H+](CC(F)F)[C@H]1CCc2ccccc21 ZINC000603412425 349961506 /nfs/dbraw/zinc/96/15/06/349961506.db2.gz GUZYKYFOTUNFIW-ZDUSSCGKSA-N 1 2 239.309 3.651 20 0 BHADLO CCC[N@H+](CC(F)F)[C@H]1CCc2ccccc21 ZINC000603412425 349961504 /nfs/dbraw/zinc/96/15/04/349961504.db2.gz GUZYKYFOTUNFIW-ZDUSSCGKSA-N 1 2 239.309 3.651 20 0 BHADLO FC(F)C[N@@H+](Cc1ccccc1)C1CCCC1 ZINC000603412440 349961540 /nfs/dbraw/zinc/96/15/40/349961540.db2.gz LZABTQNCYCTPJP-UHFFFAOYSA-N 1 2 239.309 3.696 20 0 BHADLO FC(F)C[N@H+](Cc1ccccc1)C1CCCC1 ZINC000603412440 349961537 /nfs/dbraw/zinc/96/15/37/349961537.db2.gz LZABTQNCYCTPJP-UHFFFAOYSA-N 1 2 239.309 3.696 20 0 BHADLO CC[C@H](c1ccccc1)[N@@H+](CC)CC(F)F ZINC000603412443 349961499 /nfs/dbraw/zinc/96/14/99/349961499.db2.gz NKNPFRIFBJTZGI-GFCCVEGCSA-N 1 2 227.298 3.725 20 0 BHADLO CC[C@H](c1ccccc1)[N@H+](CC)CC(F)F ZINC000603412443 349961496 /nfs/dbraw/zinc/96/14/96/349961496.db2.gz NKNPFRIFBJTZGI-GFCCVEGCSA-N 1 2 227.298 3.725 20 0 BHADLO CC[C@@H](c1ccccc1)[N@@H+](CC)CC(F)F ZINC000603412444 349961253 /nfs/dbraw/zinc/96/12/53/349961253.db2.gz NKNPFRIFBJTZGI-LBPRGKRZSA-N 1 2 227.298 3.725 20 0 BHADLO CC[C@@H](c1ccccc1)[N@H+](CC)CC(F)F ZINC000603412444 349961249 /nfs/dbraw/zinc/96/12/49/349961249.db2.gz NKNPFRIFBJTZGI-LBPRGKRZSA-N 1 2 227.298 3.725 20 0 BHADLO CC(C)c1ccc(C(C)(C)[NH2+]CC(F)F)cc1 ZINC000603416202 349963545 /nfs/dbraw/zinc/96/35/45/349963545.db2.gz DOUXLBHXWIRATI-UHFFFAOYSA-N 1 2 241.325 3.900 20 0 BHADLO Cc1ccccc1[C@H](C(C)C)[N@@H+](C)CC(F)F ZINC000603416242 349963532 /nfs/dbraw/zinc/96/35/32/349963532.db2.gz LDPVWMUJEGMCGO-AWEZNQCLSA-N 1 2 241.325 3.889 20 0 BHADLO Cc1ccccc1[C@H](C(C)C)[N@H+](C)CC(F)F ZINC000603416242 349963530 /nfs/dbraw/zinc/96/35/30/349963530.db2.gz LDPVWMUJEGMCGO-AWEZNQCLSA-N 1 2 241.325 3.889 20 0 BHADLO Cc1ccccc1[C@@H](C(C)C)[N@@H+](C)CC(F)F ZINC000603416246 349963991 /nfs/dbraw/zinc/96/39/91/349963991.db2.gz LDPVWMUJEGMCGO-CQSZACIVSA-N 1 2 241.325 3.889 20 0 BHADLO Cc1ccccc1[C@@H](C(C)C)[N@H+](C)CC(F)F ZINC000603416246 349963988 /nfs/dbraw/zinc/96/39/88/349963988.db2.gz LDPVWMUJEGMCGO-CQSZACIVSA-N 1 2 241.325 3.889 20 0 BHADLO Cc1cccc(C2([NH2+]CC(F)F)CCCC2)c1 ZINC000603709996 350013762 /nfs/dbraw/zinc/01/37/62/350013762.db2.gz GUKCJERIBVTHPK-UHFFFAOYSA-N 1 2 239.309 3.619 20 0 BHADLO CCC(CC)SCc1cn2ccccc2[nH+]1 ZINC000604565238 350156808 /nfs/dbraw/zinc/15/68/08/350156808.db2.gz MNUGTPJRNSTFGA-UHFFFAOYSA-N 1 2 234.368 3.756 20 0 BHADLO Cc1cc(N(C)[C@H](C)C(C)(C)C)nc(C2CC2)[nH+]1 ZINC000604757137 350187331 /nfs/dbraw/zinc/18/73/31/350187331.db2.gz HSJGYHVEYXRKMZ-LLVKDONJSA-N 1 2 247.386 3.533 20 0 BHADLO Cc1cc(N(C)[C@@H](C)C(C)(C)C)nc(C2CC2)[nH+]1 ZINC000604757139 350187215 /nfs/dbraw/zinc/18/72/15/350187215.db2.gz HSJGYHVEYXRKMZ-NSHDSACASA-N 1 2 247.386 3.533 20 0 BHADLO CCC[N@H+](Cc1ccc(CC)cc1)CC(F)F ZINC000604997531 350234021 /nfs/dbraw/zinc/23/40/21/350234021.db2.gz HMCOOBVTTUHLFG-UHFFFAOYSA-N 1 2 241.325 3.726 20 0 BHADLO CCC[N@@H+](Cc1ccc(CC)cc1)CC(F)F ZINC000604997531 350234018 /nfs/dbraw/zinc/23/40/18/350234018.db2.gz HMCOOBVTTUHLFG-UHFFFAOYSA-N 1 2 241.325 3.726 20 0 BHADLO CCc1cc(Nc2ccc(C)c(C)c2)nc(C)[nH+]1 ZINC000607722746 342780658 /nfs/dbraw/zinc/78/06/58/342780658.db2.gz VQYWZIKAJBWYNM-UHFFFAOYSA-N 1 2 241.338 3.708 20 0 BHADLO CCOCCC[N@H+](c1ccccc1C)C(C)C ZINC000607729514 342783988 /nfs/dbraw/zinc/78/39/88/342783988.db2.gz LXTRLLJNJNINHB-UHFFFAOYSA-N 1 2 235.371 3.636 20 0 BHADLO CCOCCC[N@@H+](c1ccccc1C)C(C)C ZINC000607729514 342783987 /nfs/dbraw/zinc/78/39/87/342783987.db2.gz LXTRLLJNJNINHB-UHFFFAOYSA-N 1 2 235.371 3.636 20 0 BHADLO Cc1cccc([C@H]2CCC[N@H+]2CC(F)F)c1C ZINC000607735966 342784957 /nfs/dbraw/zinc/78/49/57/342784957.db2.gz RNRNLJKSKFSTEH-CYBMUJFWSA-N 1 2 239.309 3.705 20 0 BHADLO Cc1cccc([C@H]2CCC[N@@H+]2CC(F)F)c1C ZINC000607735966 342784955 /nfs/dbraw/zinc/78/49/55/342784955.db2.gz RNRNLJKSKFSTEH-CYBMUJFWSA-N 1 2 239.309 3.705 20 0 BHADLO Cc1cccc([C@@H]2CCC[N@H+]2CC(F)F)c1C ZINC000607735967 342784651 /nfs/dbraw/zinc/78/46/51/342784651.db2.gz RNRNLJKSKFSTEH-ZDUSSCGKSA-N 1 2 239.309 3.705 20 0 BHADLO Cc1cccc([C@@H]2CCC[N@@H+]2CC(F)F)c1C ZINC000607735967 342784649 /nfs/dbraw/zinc/78/46/49/342784649.db2.gz RNRNLJKSKFSTEH-ZDUSSCGKSA-N 1 2 239.309 3.705 20 0 BHADLO Cc1ccc([C@H]2CCCC[N@H+]2CC(F)F)cc1 ZINC000607741464 342786619 /nfs/dbraw/zinc/78/66/19/342786619.db2.gz CZEBXTUVGGDQJT-CYBMUJFWSA-N 1 2 239.309 3.787 20 0 BHADLO Cc1ccc([C@H]2CCCC[N@@H+]2CC(F)F)cc1 ZINC000607741464 342786618 /nfs/dbraw/zinc/78/66/18/342786618.db2.gz CZEBXTUVGGDQJT-CYBMUJFWSA-N 1 2 239.309 3.787 20 0 BHADLO Cc1ccc([C@@H]2CCCC[N@H+]2CC(F)F)cc1 ZINC000607741465 342786514 /nfs/dbraw/zinc/78/65/14/342786514.db2.gz CZEBXTUVGGDQJT-ZDUSSCGKSA-N 1 2 239.309 3.787 20 0 BHADLO Cc1ccc([C@@H]2CCCC[N@@H+]2CC(F)F)cc1 ZINC000607741465 342786513 /nfs/dbraw/zinc/78/65/13/342786513.db2.gz CZEBXTUVGGDQJT-ZDUSSCGKSA-N 1 2 239.309 3.787 20 0 BHADLO CC[C@H](Cc1ccc(C)cc1)[N@@H+](C)CC(F)F ZINC000608501249 355829216 /nfs/dbraw/zinc/82/92/16/355829216.db2.gz CCZLASWKVJUYRW-CYBMUJFWSA-N 1 2 241.325 3.513 20 0 BHADLO CC[C@H](Cc1ccc(C)cc1)[N@H+](C)CC(F)F ZINC000608501249 355829213 /nfs/dbraw/zinc/82/92/13/355829213.db2.gz CCZLASWKVJUYRW-CYBMUJFWSA-N 1 2 241.325 3.513 20 0 BHADLO CC[C@@H](Cc1ccc(C)cc1)[N@@H+](C)CC(F)F ZINC000608501256 355829314 /nfs/dbraw/zinc/82/93/14/355829314.db2.gz CCZLASWKVJUYRW-ZDUSSCGKSA-N 1 2 241.325 3.513 20 0 BHADLO CC[C@@H](Cc1ccc(C)cc1)[N@H+](C)CC(F)F ZINC000608501256 355829311 /nfs/dbraw/zinc/82/93/11/355829311.db2.gz CCZLASWKVJUYRW-ZDUSSCGKSA-N 1 2 241.325 3.513 20 0 BHADLO COc1c(C)c[nH+]c(CSCC(C)C)c1C ZINC000609851952 356490771 /nfs/dbraw/zinc/49/07/71/356490771.db2.gz QFWSBFFTDTVOMA-UHFFFAOYSA-N 1 2 239.384 3.596 20 0 BHADLO CCc1cc(OCCSC)c2ccccc2[nH+]1 ZINC000613105815 360362678 /nfs/dbraw/zinc/36/26/78/360362678.db2.gz SRXRMNGOTZZNGB-UHFFFAOYSA-N 1 2 247.363 3.539 20 0 BHADLO CC[N@@H+](CCCOC)c1cccc2ccccc21 ZINC000613325841 363108622 /nfs/dbraw/zinc/10/86/22/363108622.db2.gz OKEMXLRYVDNHKR-UHFFFAOYSA-N 1 2 243.350 3.703 20 0 BHADLO CC[N@H+](CCCOC)c1cccc2ccccc21 ZINC000613325841 363108615 /nfs/dbraw/zinc/10/86/15/363108615.db2.gz OKEMXLRYVDNHKR-UHFFFAOYSA-N 1 2 243.350 3.703 20 0 BHADLO CC(C)[C@H](CNc1cccc[nH+]1)c1ccccc1 ZINC000613450897 363275718 /nfs/dbraw/zinc/27/57/18/363275718.db2.gz LIYTUVRTZHNEDQ-HNNXBMFYSA-N 1 2 240.350 3.933 20 0 BHADLO CC(C)[C@@H](CNc1cccc[nH+]1)c1ccccc1 ZINC000613450902 363275858 /nfs/dbraw/zinc/27/58/58/363275858.db2.gz LIYTUVRTZHNEDQ-OAHLLOKOSA-N 1 2 240.350 3.933 20 0 BHADLO c1c(CNc2cccc[nH+]2)sc2c1CCCC2 ZINC000613555174 363480813 /nfs/dbraw/zinc/48/08/13/363480813.db2.gz WCBUAZBVGZSFEE-UHFFFAOYSA-N 1 2 244.363 3.634 20 0 BHADLO Cc1ccc([C@H](C)Nc2cccc[nH+]2)c(C)c1 ZINC000613578119 363521101 /nfs/dbraw/zinc/52/11/01/363521101.db2.gz HHTMWXZYLLIMGT-ZDUSSCGKSA-N 1 2 226.323 3.872 20 0 BHADLO CC(C)CCN(C)c1ccc2ccccc2[nH+]1 ZINC000613579207 363522054 /nfs/dbraw/zinc/52/20/54/363522054.db2.gz ZGJJMEHUGSQGIV-UHFFFAOYSA-N 1 2 228.339 3.717 20 0 BHADLO Cc1ccc(CSCc2ccccn2)c(C)[nH+]1 ZINC000614063450 363722054 /nfs/dbraw/zinc/72/20/54/363722054.db2.gz LDJBWLFVSZNABU-UHFFFAOYSA-N 1 2 244.363 3.527 20 0 BHADLO CC(C)=CCSCc1cn2ccccc2[nH+]1 ZINC000618457255 348198337 /nfs/dbraw/zinc/19/83/37/348198337.db2.gz BVSJNNKIUGFODW-UHFFFAOYSA-N 1 2 232.352 3.534 20 0 BHADLO CC(C)(CCNc1cccc[nH+]1)c1ccccc1 ZINC000619539628 369467920 /nfs/dbraw/zinc/46/79/20/369467920.db2.gz WFCXMCVJJFIYAY-UHFFFAOYSA-N 1 2 240.350 3.861 20 0 BHADLO Fc1cccc(Cl)c1C[NH+](C1CC1)C1CC1 ZINC000621114101 370110928 /nfs/dbraw/zinc/11/09/28/370110928.db2.gz CROPGGNBZJCXFZ-UHFFFAOYSA-N 1 2 239.721 3.606 20 0 BHADLO Clc1cccc(CCCCn2cc[nH+]c2)c1 ZINC000621263130 370196495 /nfs/dbraw/zinc/19/64/95/370196495.db2.gz DYQIQBSFHPNIJJ-UHFFFAOYSA-N 1 2 234.730 3.559 20 0 BHADLO CCCc1ccc(CNc2cccc[nH+]2)s1 ZINC000621329837 370263393 /nfs/dbraw/zinc/26/33/93/370263393.db2.gz QGTLNRPSVLVSBE-UHFFFAOYSA-N 1 2 232.352 3.708 20 0 BHADLO Cc1cc[nH+]c(NCC[C@@H]2CC2(F)F)c1Cl ZINC000621345238 370278462 /nfs/dbraw/zinc/27/84/62/370278462.db2.gz GUTFAVDMALTQCI-MRVPVSSYSA-N 1 2 246.688 3.501 20 0 BHADLO Cc1cc[nH+]c(NCC[C@H]2CC2(F)F)c1Cl ZINC000621345239 343107827 /nfs/dbraw/zinc/10/78/27/343107827.db2.gz GUTFAVDMALTQCI-QMMMGPOBSA-N 1 2 246.688 3.501 20 0 BHADLO CCCc1ccc(C[NH2+]C(C)(C)C(F)F)s1 ZINC000621350439 370286169 /nfs/dbraw/zinc/28/61/69/370286169.db2.gz IUQLCICHLBDUOH-UHFFFAOYSA-N 1 2 247.354 3.834 20 0 BHADLO CCCc1ccc(C[NH2+]C2(C(F)F)CC2)s1 ZINC000621351583 370287540 /nfs/dbraw/zinc/28/75/40/370287540.db2.gz YCASSAJBFIVHRT-UHFFFAOYSA-N 1 2 245.338 3.588 20 0 BHADLO Cc1ccc(CCCNc2cccc[nH+]2)c(C)c1 ZINC000622172064 370746738 /nfs/dbraw/zinc/74/67/38/370746738.db2.gz LVRFHTSWZQEACH-UHFFFAOYSA-N 1 2 240.350 3.743 20 0 BHADLO CC[C@@H](C)c1cccc(NCc2[nH]cc(C)[nH+]2)c1 ZINC000623604650 363043295 /nfs/dbraw/zinc/04/32/95/363043295.db2.gz GOKCYRXHQKGWAN-LLVKDONJSA-N 1 2 243.354 3.844 20 0 BHADLO CC[C@H](C)c1cccc(NCc2[nH]cc(C)[nH+]2)c1 ZINC000623604651 363043646 /nfs/dbraw/zinc/04/36/46/363043646.db2.gz GOKCYRXHQKGWAN-NSHDSACASA-N 1 2 243.354 3.844 20 0 BHADLO CC[C@@H](C)c1cccc(NCc2c[nH+]cn2C)c1 ZINC000623605675 363043921 /nfs/dbraw/zinc/04/39/21/363043921.db2.gz UWKXHTNDKVDTOW-GFCCVEGCSA-N 1 2 243.354 3.546 20 0 BHADLO CC[C@H](C)c1cccc(NCc2c[nH+]cn2C)c1 ZINC000623605676 363043776 /nfs/dbraw/zinc/04/37/76/363043776.db2.gz UWKXHTNDKVDTOW-LBPRGKRZSA-N 1 2 243.354 3.546 20 0 BHADLO CC[C@@H](C)c1cccc(NCc2[nH]cc[nH+]2)c1 ZINC000623605713 363044785 /nfs/dbraw/zinc/04/47/85/363044785.db2.gz XDBLFWCEKKOOGE-LLVKDONJSA-N 1 2 229.327 3.535 20 0 BHADLO CC[C@H](C)c1cccc(NCc2[nH]cc[nH+]2)c1 ZINC000623605714 363044754 /nfs/dbraw/zinc/04/47/54/363044754.db2.gz XDBLFWCEKKOOGE-NSHDSACASA-N 1 2 229.327 3.535 20 0 BHADLO CC[C@@H](C)c1cccc(NCc2[nH+]ccn2C)c1 ZINC000623605728 363044238 /nfs/dbraw/zinc/04/42/38/363044238.db2.gz YMOMZFUXAPDKNH-GFCCVEGCSA-N 1 2 243.354 3.546 20 0 BHADLO CC[C@H](C)c1cccc(NCc2[nH+]ccn2C)c1 ZINC000623605729 363044822 /nfs/dbraw/zinc/04/48/22/363044822.db2.gz YMOMZFUXAPDKNH-LBPRGKRZSA-N 1 2 243.354 3.546 20 0 BHADLO CCC(F)(F)C[NH2+]Cc1ccc(C(F)F)cc1 ZINC000623679172 369378998 /nfs/dbraw/zinc/37/89/98/369378998.db2.gz KXKVLHWRJWXRSP-UHFFFAOYSA-N 1 2 249.251 3.759 20 0 BHADLO CCC(F)(F)C[NH2+]Cc1sccc1Cl ZINC000623679284 369378798 /nfs/dbraw/zinc/37/87/98/369378798.db2.gz QAKGUUDBQYPSNH-UHFFFAOYSA-N 1 2 239.718 3.536 20 0 BHADLO CCC(F)(F)C[NH2+]Cc1ccc2occc2c1 ZINC000623679363 369378414 /nfs/dbraw/zinc/37/84/14/369378414.db2.gz SSIVPHHKCCFNPE-UHFFFAOYSA-N 1 2 239.265 3.568 20 0 BHADLO CCC(F)(F)C[NH2+][C@H](C)c1ccccc1F ZINC000623679463 369379932 /nfs/dbraw/zinc/37/99/32/369379932.db2.gz YQYIDVMQVZSQTL-SECBINFHSA-N 1 2 231.261 3.522 20 0 BHADLO CCC(F)(F)C[NH2+][C@@H](C)c1ccccc1F ZINC000623679464 369380324 /nfs/dbraw/zinc/38/03/24/369380324.db2.gz YQYIDVMQVZSQTL-VIFPVBQESA-N 1 2 231.261 3.522 20 0 BHADLO CCC(F)(F)C[NH2+]C/C(C)=C/c1ccccc1 ZINC000623679993 369381680 /nfs/dbraw/zinc/38/16/80/369381680.db2.gz SBGSKUNMVOZHDP-FMIVXFBMSA-N 1 2 239.309 3.725 20 0 BHADLO CCC(F)(F)C[NH2+]C/C(C)=C\c1ccccc1 ZINC000623679994 369382005 /nfs/dbraw/zinc/38/20/05/369382005.db2.gz SBGSKUNMVOZHDP-XFXZXTDPSA-N 1 2 239.309 3.725 20 0 BHADLO CCC(F)(F)C[NH2+]Cc1coc2ccccc12 ZINC000623680020 369381497 /nfs/dbraw/zinc/38/14/97/369381497.db2.gz UOXCLORTMFXKPV-UHFFFAOYSA-N 1 2 239.265 3.568 20 0 BHADLO CCC(F)(F)C[NH2+]Cc1cc2ccccc2o1 ZINC000623680207 369387573 /nfs/dbraw/zinc/38/75/73/369387573.db2.gz AZGDSJYWBXEJJE-UHFFFAOYSA-N 1 2 239.265 3.568 20 0 BHADLO CCC(F)(F)C[NH2+]Cc1ccc(Cl)s1 ZINC000623680335 369389323 /nfs/dbraw/zinc/38/93/23/369389323.db2.gz IMDASZKRFWQZBG-UHFFFAOYSA-N 1 2 239.718 3.536 20 0 BHADLO CCC(F)(F)C[NH2+]Cc1ccc(SC)cc1 ZINC000623680740 369390350 /nfs/dbraw/zinc/39/03/50/369390350.db2.gz XPTPPFVXTHWCAU-UHFFFAOYSA-N 1 2 245.338 3.543 20 0 BHADLO CCc1c[nH+]ccc1[C@H](C)[C@H](C)[C@H]1CCCCO1 ZINC000623907897 371149384 /nfs/dbraw/zinc/14/93/84/371149384.db2.gz IFQLVXMIIAGXMM-DVOMOZLQSA-N 1 2 247.382 3.953 20 0 BHADLO CCc1c[nH+]ccc1[C@H](C)[C@@H](C)[C@@H]1CCCCO1 ZINC000623907898 371149908 /nfs/dbraw/zinc/14/99/08/371149908.db2.gz IFQLVXMIIAGXMM-IOASZLSFSA-N 1 2 247.382 3.953 20 0 BHADLO CCc1c[nH+]ccc1[C@H](C)[C@H](C)[C@@H]1CCCCO1 ZINC000623907899 371149676 /nfs/dbraw/zinc/14/96/76/371149676.db2.gz IFQLVXMIIAGXMM-WWGRRREGSA-N 1 2 247.382 3.953 20 0 BHADLO CCc1c[nH+]ccc1[C@H](C)[C@@H](C)[C@H]1CCCCO1 ZINC000623907900 371149484 /nfs/dbraw/zinc/14/94/84/371149484.db2.gz IFQLVXMIIAGXMM-XJKCOSOUSA-N 1 2 247.382 3.953 20 0 BHADLO CCC(F)(F)C[NH2+][C@H](C)c1ccc(F)cc1 ZINC000624146731 371341192 /nfs/dbraw/zinc/34/11/92/371341192.db2.gz ILFLVZQLNAXFIF-SECBINFHSA-N 1 2 231.261 3.522 20 0 BHADLO CCC(F)(F)C[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000624146732 371341626 /nfs/dbraw/zinc/34/16/26/371341626.db2.gz ILFLVZQLNAXFIF-VIFPVBQESA-N 1 2 231.261 3.522 20 0 BHADLO CC[C@@H]([NH2+]CC(F)(F)CC)c1ccccc1 ZINC000624146827 371341177 /nfs/dbraw/zinc/34/11/77/371341177.db2.gz LLNGSTYFDAWEML-GFCCVEGCSA-N 1 2 227.298 3.773 20 0 BHADLO CC[C@H]([NH2+]CC(F)(F)CC)c1ccccc1 ZINC000624146828 371341489 /nfs/dbraw/zinc/34/14/89/371341489.db2.gz LLNGSTYFDAWEML-LBPRGKRZSA-N 1 2 227.298 3.773 20 0 BHADLO CCC(F)(F)C[NH2+][C@H](C)c1ccc(C)cc1 ZINC000624146901 371341106 /nfs/dbraw/zinc/34/11/06/371341106.db2.gz NJZGDPYCQHDYRN-LLVKDONJSA-N 1 2 227.298 3.691 20 0 BHADLO CCC(F)(F)C[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000624146902 371341960 /nfs/dbraw/zinc/34/19/60/371341960.db2.gz NJZGDPYCQHDYRN-NSHDSACASA-N 1 2 227.298 3.691 20 0 BHADLO CCC(F)(F)C[NH2+][C@H](C)c1cccc(F)c1 ZINC000624147160 371341294 /nfs/dbraw/zinc/34/12/94/371341294.db2.gz VQDYHMGCXGKPMV-SECBINFHSA-N 1 2 231.261 3.522 20 0 BHADLO CCC(F)(F)C[NH2+][C@@H](C)c1cccc(F)c1 ZINC000624147161 371341231 /nfs/dbraw/zinc/34/12/31/371341231.db2.gz VQDYHMGCXGKPMV-VIFPVBQESA-N 1 2 231.261 3.522 20 0 BHADLO CCc1ccc([C@@H](C)[NH2+]CC(F)(F)CC)o1 ZINC000624147533 371341131 /nfs/dbraw/zinc/34/11/31/371341131.db2.gz CSGIVKCIOFLWSR-SECBINFHSA-N 1 2 231.286 3.538 20 0 BHADLO CCc1ccc([C@H](C)[NH2+]CC(F)(F)CC)o1 ZINC000624147534 371341086 /nfs/dbraw/zinc/34/10/86/371341086.db2.gz CSGIVKCIOFLWSR-VIFPVBQESA-N 1 2 231.286 3.538 20 0 BHADLO CCC(F)(F)C[NH2+][C@H](C)c1cc(F)cc(F)c1 ZINC000624147570 371341864 /nfs/dbraw/zinc/34/18/64/371341864.db2.gz FCDZVPPYLNPGTG-MRVPVSSYSA-N 1 2 249.251 3.661 20 0 BHADLO CCC(F)(F)C[NH2+][C@@H](C)c1cc(F)cc(F)c1 ZINC000624147571 371341471 /nfs/dbraw/zinc/34/14/71/371341471.db2.gz FCDZVPPYLNPGTG-QMMMGPOBSA-N 1 2 249.251 3.661 20 0 BHADLO CC[C@@H]([NH2+]CC(F)(F)CC)c1cccs1 ZINC000624147682 347260681 /nfs/dbraw/zinc/26/06/81/347260681.db2.gz HYJRVFYGAGZOII-SECBINFHSA-N 1 2 233.327 3.834 20 0 BHADLO CC[C@H]([NH2+]CC(F)(F)CC)c1cccs1 ZINC000624147683 347261441 /nfs/dbraw/zinc/26/14/41/347261441.db2.gz HYJRVFYGAGZOII-VIFPVBQESA-N 1 2 233.327 3.834 20 0 BHADLO CCC(F)(F)C[NH2+][C@H](C)c1cc(C)oc1C ZINC000624147809 371343278 /nfs/dbraw/zinc/34/32/78/371343278.db2.gz LPZOQMNNPDKVMF-SECBINFHSA-N 1 2 231.286 3.592 20 0 BHADLO CCC(F)(F)C[NH2+][C@@H](C)c1cc(C)oc1C ZINC000624147810 371343420 /nfs/dbraw/zinc/34/34/20/371343420.db2.gz LPZOQMNNPDKVMF-VIFPVBQESA-N 1 2 231.286 3.592 20 0 BHADLO CCC(F)(F)C[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000624147888 347262470 /nfs/dbraw/zinc/26/24/70/347262470.db2.gz NVHRIJXBAPXYGB-MRVPVSSYSA-N 1 2 249.251 3.661 20 0 BHADLO CCC(F)(F)C[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000624147889 347262016 /nfs/dbraw/zinc/26/20/16/347262016.db2.gz NVHRIJXBAPXYGB-QMMMGPOBSA-N 1 2 249.251 3.661 20 0 BHADLO CCC(F)(F)C[NH2+][C@H](C)c1cccc(C)c1 ZINC000624147896 371343641 /nfs/dbraw/zinc/34/36/41/371343641.db2.gz ODVLNXQIIBGQAY-LLVKDONJSA-N 1 2 227.298 3.691 20 0 BHADLO CCC(F)(F)C[NH2+][C@@H](C)c1cccc(C)c1 ZINC000624147897 371343137 /nfs/dbraw/zinc/34/31/37/371343137.db2.gz ODVLNXQIIBGQAY-NSHDSACASA-N 1 2 227.298 3.691 20 0 BHADLO CCC(F)(F)C[NH2+][C@H]1CCCc2sccc21 ZINC000624147913 347263708 /nfs/dbraw/zinc/26/37/08/347263708.db2.gz OTVORDQUJPGOGK-JTQLQIEISA-N 1 2 245.338 3.760 20 0 BHADLO CCC(F)(F)C[NH2+][C@@H]1CCCc2sccc21 ZINC000624147914 347263756 /nfs/dbraw/zinc/26/37/56/347263756.db2.gz OTVORDQUJPGOGK-SNVBAGLBSA-N 1 2 245.338 3.760 20 0 BHADLO CCC(F)(F)C[NH2+][C@H](C)c1ccccc1C ZINC000624147992 371342656 /nfs/dbraw/zinc/34/26/56/371342656.db2.gz RHSPEHSLHGHWPW-LLVKDONJSA-N 1 2 227.298 3.691 20 0 BHADLO CCC(F)(F)C[NH2+][C@@H](C)c1ccccc1C ZINC000624147993 371343373 /nfs/dbraw/zinc/34/33/73/371343373.db2.gz RHSPEHSLHGHWPW-NSHDSACASA-N 1 2 227.298 3.691 20 0 BHADLO CCC(F)(F)C[NH2+][C@H](C)c1ccc(C)s1 ZINC000624148131 371344544 /nfs/dbraw/zinc/34/45/44/371344544.db2.gz WFPOVIRFMPFCIJ-SECBINFHSA-N 1 2 233.327 3.752 20 0 BHADLO CCC(F)(F)C[NH2+][C@@H](C)c1ccc(C)s1 ZINC000624148132 371344225 /nfs/dbraw/zinc/34/42/25/371344225.db2.gz WFPOVIRFMPFCIJ-VIFPVBQESA-N 1 2 233.327 3.752 20 0 BHADLO CCC[C@@H]([NH2+]CC(F)(F)CC)c1ccccn1 ZINC000624148199 371344482 /nfs/dbraw/zinc/34/44/82/371344482.db2.gz YCDZOYKFSYSCDB-LLVKDONJSA-N 1 2 242.313 3.558 20 0 BHADLO CCC[C@H]([NH2+]CC(F)(F)CC)c1ccccn1 ZINC000624148200 371344991 /nfs/dbraw/zinc/34/49/91/371344991.db2.gz YCDZOYKFSYSCDB-NSHDSACASA-N 1 2 242.313 3.558 20 0 BHADLO CCC(F)(F)C[NH2+][C@H](C)c1sccc1C ZINC000624148253 347265360 /nfs/dbraw/zinc/26/53/60/347265360.db2.gz ZGCDLSAUYPMVEL-SECBINFHSA-N 1 2 233.327 3.752 20 0 BHADLO CCC(F)(F)C[NH2+][C@@H](C)c1sccc1C ZINC000624148254 347265399 /nfs/dbraw/zinc/26/53/99/347265399.db2.gz ZGCDLSAUYPMVEL-VIFPVBQESA-N 1 2 233.327 3.752 20 0 BHADLO CCC(F)(F)C[NH2+][C@H](C)c1cc(C)c(C)o1 ZINC000624148320 371344643 /nfs/dbraw/zinc/34/46/43/371344643.db2.gz APLMHHHJFKKGRG-SECBINFHSA-N 1 2 231.286 3.592 20 0 BHADLO CCC(F)(F)C[NH2+][C@@H](C)c1cc(C)c(C)o1 ZINC000624148321 371344907 /nfs/dbraw/zinc/34/49/07/371344907.db2.gz APLMHHHJFKKGRG-VIFPVBQESA-N 1 2 231.286 3.592 20 0 BHADLO CC[C@H]([NH2+]CC(F)(F)CC)c1ccsc1 ZINC000624148611 371344300 /nfs/dbraw/zinc/34/43/00/371344300.db2.gz JQYOALBFRDTUML-JTQLQIEISA-N 1 2 233.327 3.834 20 0 BHADLO CC[C@@H]([NH2+]CC(F)(F)CC)c1ccsc1 ZINC000624148612 371344206 /nfs/dbraw/zinc/34/42/06/371344206.db2.gz JQYOALBFRDTUML-SNVBAGLBSA-N 1 2 233.327 3.834 20 0 BHADLO CCC(F)(F)C[NH2+][C@H](C)c1csc(C)c1 ZINC000624148916 371346272 /nfs/dbraw/zinc/34/62/72/371346272.db2.gz RFFKRRFZTOMQOP-SECBINFHSA-N 1 2 233.327 3.752 20 0 BHADLO CCC(F)(F)C[NH2+][C@@H](C)c1csc(C)c1 ZINC000624148917 371345445 /nfs/dbraw/zinc/34/54/45/371345445.db2.gz RFFKRRFZTOMQOP-VIFPVBQESA-N 1 2 233.327 3.752 20 0 BHADLO CCC[C@@H]([NH2+]CC(F)(F)CC)c1cccnc1 ZINC000624149059 371346142 /nfs/dbraw/zinc/34/61/42/371346142.db2.gz VPVHZHHODPYGDB-GFCCVEGCSA-N 1 2 242.313 3.558 20 0 BHADLO CCC[C@H]([NH2+]CC(F)(F)CC)c1cccnc1 ZINC000624149060 371346036 /nfs/dbraw/zinc/34/60/36/371346036.db2.gz VPVHZHHODPYGDB-LBPRGKRZSA-N 1 2 242.313 3.558 20 0 BHADLO c1ccc2c(c1)cc[nH+]c2N1C[C@@H]2CCCC[C@@H]21 ZINC000624376714 343742562 /nfs/dbraw/zinc/74/25/62/343742562.db2.gz ZEQLFAOEVWIRDE-ZFWWWQNUSA-N 1 2 238.334 3.614 20 0 BHADLO FC(F)(F)C1(CNc2cccc[nH+]2)CCCC1 ZINC000624705359 342821808 /nfs/dbraw/zinc/82/18/08/342821808.db2.gz YDKKYYMQRVXHSL-UHFFFAOYSA-N 1 2 244.260 3.616 20 0 BHADLO CC(C)([NH2+]CC(F)F)c1ccc2ccccc2c1 ZINC000626115745 345354546 /nfs/dbraw/zinc/35/45/46/345354546.db2.gz CSKLTVKLLRGSSZ-UHFFFAOYSA-N 1 2 249.304 3.930 20 0 BHADLO FC(F)(F)c1cc(C[N@@H+]2CC=CCC2)cs1 ZINC000628234507 346187826 /nfs/dbraw/zinc/18/78/26/346187826.db2.gz CSNMTVGTBLIILQ-UHFFFAOYSA-N 1 2 247.285 3.529 20 0 BHADLO FC(F)(F)c1cc(C[N@H+]2CC=CCC2)cs1 ZINC000628234507 346187823 /nfs/dbraw/zinc/18/78/23/346187823.db2.gz CSNMTVGTBLIILQ-UHFFFAOYSA-N 1 2 247.285 3.529 20 0 BHADLO C[C@@H]1C[C@@H](C)[NH+]1Cc1csc(C(F)(F)F)c1 ZINC000628255403 346249484 /nfs/dbraw/zinc/24/94/84/346249484.db2.gz LOJGKPBZAAEAEQ-HTQZYQBOSA-N 1 2 249.301 3.750 20 0 BHADLO C[C@@H]1C[C@H](C)[N@@H+]1Cc1csc(C(F)(F)F)c1 ZINC000628255404 346249495 /nfs/dbraw/zinc/24/94/95/346249495.db2.gz LOJGKPBZAAEAEQ-OCAPTIKFSA-N 1 2 249.301 3.750 20 0 BHADLO C[C@@H]1C[C@H](C)[N@H+]1Cc1csc(C(F)(F)F)c1 ZINC000628255404 346249492 /nfs/dbraw/zinc/24/94/92/346249492.db2.gz LOJGKPBZAAEAEQ-OCAPTIKFSA-N 1 2 249.301 3.750 20 0 BHADLO C[C@H]1C[C@H](C)[NH+]1Cc1csc(C(F)(F)F)c1 ZINC000628255405 346249309 /nfs/dbraw/zinc/24/93/09/346249309.db2.gz LOJGKPBZAAEAEQ-YUMQZZPRSA-N 1 2 249.301 3.750 20 0 BHADLO CCC1C[NH+](Cc2csc(C(F)(F)F)c2)C1 ZINC000628304903 349488279 /nfs/dbraw/zinc/48/82/79/349488279.db2.gz ACDYHVOHEZOAHB-UHFFFAOYSA-N 1 2 249.301 3.609 20 0 BHADLO Clc1scc(C[N@H+]2C[C@@H]3C[C@@H]3C2)c1Cl ZINC000628410232 357216627 /nfs/dbraw/zinc/21/66/27/357216627.db2.gz IAXPCJZTZFALJR-KNVOCYPGSA-N 1 2 248.178 3.507 20 0 BHADLO Clc1scc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)c1Cl ZINC000628410232 357216622 /nfs/dbraw/zinc/21/66/22/357216622.db2.gz IAXPCJZTZFALJR-KNVOCYPGSA-N 1 2 248.178 3.507 20 0 BHADLO Clc1cc(C[N@H+]2C[C@@H]3C[C@@H]3C2)c(Cl)s1 ZINC000628410652 357217978 /nfs/dbraw/zinc/21/79/78/357217978.db2.gz PHUXAJTWERWUSU-KNVOCYPGSA-N 1 2 248.178 3.507 20 0 BHADLO Clc1cc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)c(Cl)s1 ZINC000628410652 357217974 /nfs/dbraw/zinc/21/79/74/357217974.db2.gz PHUXAJTWERWUSU-KNVOCYPGSA-N 1 2 248.178 3.507 20 0 BHADLO CCc1ccc(CNc2ccc([NH2+]C)cc2)s1 ZINC000629388540 361041378 /nfs/dbraw/zinc/04/13/78/361041378.db2.gz DQXOKJSCAQHQCE-UHFFFAOYSA-N 1 2 246.379 3.964 20 0 BHADLO C[NH2+]c1ccc(NCc2cccc(C)c2C)cc1 ZINC000629389337 361036911 /nfs/dbraw/zinc/03/69/11/361036911.db2.gz JTOYLQYAKDTEGR-UHFFFAOYSA-N 1 2 240.350 3.957 20 0 BHADLO C[NH2+]c1ccc(NCc2c(C)cccc2C)cc1 ZINC000629389443 361037094 /nfs/dbraw/zinc/03/70/94/361037094.db2.gz NDLJYKXQERGOPA-UHFFFAOYSA-N 1 2 240.350 3.957 20 0 BHADLO C[NH2+]c1ccc(NCc2ccc(C)cc2C)cc1 ZINC000629389470 361036586 /nfs/dbraw/zinc/03/65/86/361036586.db2.gz NMUMPALMRIODNA-UHFFFAOYSA-N 1 2 240.350 3.957 20 0 BHADLO C[NH2+]c1ccc(NCc2ccc(C)c(C)c2)cc1 ZINC000629389605 361036901 /nfs/dbraw/zinc/03/69/01/361036901.db2.gz OTLHBUGBSMSAHD-UHFFFAOYSA-N 1 2 240.350 3.957 20 0 BHADLO C[NH2+]c1ccc(NCc2cc(C)cc(C)c2)cc1 ZINC000629389643 361036340 /nfs/dbraw/zinc/03/63/40/361036340.db2.gz PQBAYVQUKHEJRM-UHFFFAOYSA-N 1 2 240.350 3.957 20 0 BHADLO CCc1ccc(CNc2ccc([NH2+]C)cc2)cc1 ZINC000629389736 361036760 /nfs/dbraw/zinc/03/67/60/361036760.db2.gz UBLHICGISYOXKY-UHFFFAOYSA-N 1 2 240.350 3.903 20 0 BHADLO C[NH2+]c1ccc(NCc2cc(C)ccc2C)cc1 ZINC000629389784 361037052 /nfs/dbraw/zinc/03/70/52/361037052.db2.gz VYDBCBRCNYATIM-UHFFFAOYSA-N 1 2 240.350 3.957 20 0 BHADLO C[NH2+]c1ccc(NC[C@@H](C)c2ccccc2)cc1 ZINC000629655933 361559985 /nfs/dbraw/zinc/55/99/85/361559985.db2.gz MCVHRXLVIUYISS-CYBMUJFWSA-N 1 2 240.350 3.944 20 0 BHADLO CNc1ccc([NH2+]C[C@@H](C)c2ccccc2)cc1 ZINC000629655933 361559982 /nfs/dbraw/zinc/55/99/82/361559982.db2.gz MCVHRXLVIUYISS-CYBMUJFWSA-N 1 2 240.350 3.944 20 0 BHADLO C[NH2+]c1ccc(NC[C@H](C)c2ccccc2)cc1 ZINC000629655944 361561047 /nfs/dbraw/zinc/56/10/47/361561047.db2.gz MCVHRXLVIUYISS-ZDUSSCGKSA-N 1 2 240.350 3.944 20 0 BHADLO CNc1ccc([NH2+]C[C@H](C)c2ccccc2)cc1 ZINC000629655944 361561043 /nfs/dbraw/zinc/56/10/43/361561043.db2.gz MCVHRXLVIUYISS-ZDUSSCGKSA-N 1 2 240.350 3.944 20 0 BHADLO C[NH2+]c1ccc(NCCCC(C)C)cc1 ZINC000629656227 361560981 /nfs/dbraw/zinc/56/09/81/361560981.db2.gz NDHDVIOWODVURT-UHFFFAOYSA-N 1 2 206.333 3.576 20 0 BHADLO CNc1ccc([NH2+]CCCC(C)C)cc1 ZINC000629656227 361560976 /nfs/dbraw/zinc/56/09/76/361560976.db2.gz NDHDVIOWODVURT-UHFFFAOYSA-N 1 2 206.333 3.576 20 0 BHADLO CC(C)N(C)c1ccc(-c2ccsc2)c[nH+]1 ZINC000629689745 361623407 /nfs/dbraw/zinc/62/34/07/361623407.db2.gz ADYBFYCCDUUIHG-UHFFFAOYSA-N 1 2 232.352 3.655 20 0 BHADLO CC(C)Nc1ccc(-c2ccsc2)c[nH+]1 ZINC000629691016 361617159 /nfs/dbraw/zinc/61/71/59/361617159.db2.gz PHMZSUKGGPELGT-UHFFFAOYSA-N 1 2 218.325 3.630 20 0 BHADLO CC(C)Nc1ccc(-c2cccs2)c[nH+]1 ZINC000629691126 361617420 /nfs/dbraw/zinc/61/74/20/361617420.db2.gz SNOWSHQXVBRCEK-UHFFFAOYSA-N 1 2 218.325 3.630 20 0 BHADLO COc1cccc(-c2ccc(NC(C)C)[nH+]c2)c1 ZINC000629692370 361620533 /nfs/dbraw/zinc/62/05/33/361620533.db2.gz MHZOJPKKTYUVQA-UHFFFAOYSA-N 1 2 242.322 3.578 20 0 BHADLO COc1ccccc1-c1ccc(NC(C)C)[nH+]c1 ZINC000629692630 361620096 /nfs/dbraw/zinc/62/00/96/361620096.db2.gz RXFYQXUIUACLNB-UHFFFAOYSA-N 1 2 242.322 3.578 20 0 BHADLO Cc1[nH]cc(-c2cccc(C(C)C)c2)[nH+]1 ZINC000629692773 361620271 /nfs/dbraw/zinc/62/02/71/361620271.db2.gz UFDUTIXLWKQRDX-UHFFFAOYSA-N 1 2 200.285 3.509 20 0 BHADLO Cc1[nH]cc(-c2cccc(OC3CCCC3)c2)[nH+]1 ZINC000629694715 361629702 /nfs/dbraw/zinc/62/97/02/361629702.db2.gz MTIXXTREZMANAV-UHFFFAOYSA-N 1 2 242.322 3.707 20 0 BHADLO Cc1[nH]cc(-c2ccc(OC(C)(C)C)cc2)[nH+]1 ZINC000629695384 361626333 /nfs/dbraw/zinc/62/63/33/361626333.db2.gz DQYMKEWOCIWPIO-UHFFFAOYSA-N 1 2 230.311 3.562 20 0 BHADLO Cc1[nH]cc(-c2ccc(OC3CCCC3)cc2)[nH+]1 ZINC000629698024 361632819 /nfs/dbraw/zinc/63/28/19/361632819.db2.gz APUBTWNLEQXFFZ-UHFFFAOYSA-N 1 2 242.322 3.707 20 0 BHADLO Cc1[nH]cc(-c2ccc(C3CCC3)cc2)[nH+]1 ZINC000629698904 361633908 /nfs/dbraw/zinc/63/39/08/361633908.db2.gz BBJOSZZJMZUKNB-UHFFFAOYSA-N 1 2 212.296 3.653 20 0 BHADLO COc1ccc(-c2ccc(NC(C)C)[nH+]c2)cc1 ZINC000629712477 361650178 /nfs/dbraw/zinc/65/01/78/361650178.db2.gz OQMFIAVMQVQDID-UHFFFAOYSA-N 1 2 242.322 3.578 20 0 BHADLO Cc1ccsc1-c1ccc(NC(C)C)[nH+]c1 ZINC000629713046 361652041 /nfs/dbraw/zinc/65/20/41/361652041.db2.gz CFOFVPOBNHTWDS-UHFFFAOYSA-N 1 2 232.352 3.939 20 0 BHADLO Cc1[nH]cc(-c2cccc(C3CCC3)c2)[nH+]1 ZINC000629731216 361670866 /nfs/dbraw/zinc/67/08/66/361670866.db2.gz GVWAMIQUYGJQAX-UHFFFAOYSA-N 1 2 212.296 3.653 20 0 BHADLO CNc1cccc(-c2ccc(NC(C)C)[nH+]c2)c1 ZINC000629736666 361674895 /nfs/dbraw/zinc/67/48/95/361674895.db2.gz UAZJJFQKMRLMEC-UHFFFAOYSA-N 1 2 241.338 3.611 20 0 BHADLO Cc1[nH]cc(-c2ccc(C)c(C(F)(F)F)c2)[nH+]1 ZINC000629752997 361683885 /nfs/dbraw/zinc/68/38/85/361683885.db2.gz YQITUPDLHISKPK-UHFFFAOYSA-N 1 2 240.228 3.712 20 0 BHADLO CC(C)c1[nH+]cc(-c2ccccc2Cl)n1C ZINC000630049593 361912039 /nfs/dbraw/zinc/91/20/39/361912039.db2.gz GQBZCXJYNPSDAD-UHFFFAOYSA-N 1 2 234.730 3.864 20 0 BHADLO Clc1ccccc1-c1c[nH+]c2n1CCCC2 ZINC000630050402 361913522 /nfs/dbraw/zinc/91/35/22/361913522.db2.gz PQDHBZREUXSENO-UHFFFAOYSA-N 1 2 232.714 3.540 20 0 BHADLO CSc1ccc(-c2c[nH+]c(C(C)C)n2C)cc1 ZINC000630050467 361913507 /nfs/dbraw/zinc/91/35/07/361913507.db2.gz QSTVWDWDAPUDDL-UHFFFAOYSA-N 1 2 246.379 3.932 20 0 BHADLO Cc1cc(-c2c[nH+]c(C(C)C)n2C)cs1 ZINC000630050613 361913775 /nfs/dbraw/zinc/91/37/75/361913775.db2.gz IGYDHADARHSWJF-UHFFFAOYSA-N 1 2 220.341 3.580 20 0 BHADLO Cc1ccc(-c2c[nH+]c(C(C)C)n2C)cc1 ZINC000630051017 361914574 /nfs/dbraw/zinc/91/45/74/361914574.db2.gz IFAXJMGNDWYADZ-UHFFFAOYSA-N 1 2 214.312 3.519 20 0 BHADLO Cc1ccccc1-c1c[nH+]c(C(C)C)n1C ZINC000630051461 361916044 /nfs/dbraw/zinc/91/60/44/361916044.db2.gz MVQRPRJIKFJKDG-UHFFFAOYSA-N 1 2 214.312 3.519 20 0 BHADLO Cc1ccc(C)c(-c2c[nH+]c(C(C)C)n2C)c1 ZINC000630051478 361916372 /nfs/dbraw/zinc/91/63/72/361916372.db2.gz NNFZCTPGLGWPMG-UHFFFAOYSA-N 1 2 228.339 3.827 20 0 BHADLO Cc1ccsc1-c1c[nH+]c(C(C)C)n1C ZINC000630051941 361919840 /nfs/dbraw/zinc/91/98/40/361919840.db2.gz QNEXQVIDWGDIKP-UHFFFAOYSA-N 1 2 220.341 3.580 20 0 BHADLO COc1ccc(-c2c[nH+]c(C(C)C)n2C)c(C)c1 ZINC000630052497 361921058 /nfs/dbraw/zinc/92/10/58/361921058.db2.gz KYFYMJSADZXFKB-UHFFFAOYSA-N 1 2 244.338 3.528 20 0 BHADLO FC(F)c1ccccc1-c1c[nH+]c2n1CCCC2 ZINC000630053168 361922055 /nfs/dbraw/zinc/92/20/55/361922055.db2.gz LWJYVSBUIAEIDY-UHFFFAOYSA-N 1 2 248.276 3.824 20 0 BHADLO COc1cc(C)ccc1-c1c[nH+]c(C(C)C)n1C ZINC000630054340 361918878 /nfs/dbraw/zinc/91/88/78/361918878.db2.gz OWQOAODMVHIFTM-UHFFFAOYSA-N 1 2 244.338 3.528 20 0 BHADLO CSc1ccccc1-c1c[nH+]c2n1CCCC2 ZINC000630054396 361918277 /nfs/dbraw/zinc/91/82/77/361918277.db2.gz QVIZHVNOISPXQM-UHFFFAOYSA-N 1 2 244.363 3.608 20 0 BHADLO Cc1ccc(-c2c[nH+]c(C(C)C)n2C)s1 ZINC000630054518 361920137 /nfs/dbraw/zinc/92/01/37/361920137.db2.gz WMPSDWDXAWNGLX-UHFFFAOYSA-N 1 2 220.341 3.580 20 0 BHADLO Clc1ccc(-c2c[nH+]c3n2CCCC3)s1 ZINC000630054527 361919780 /nfs/dbraw/zinc/91/97/80/361919780.db2.gz XABLPQNZZMESFR-UHFFFAOYSA-N 1 2 238.743 3.601 20 0 BHADLO CSc1ccccc1-c1c[nH+]c(C(C)C)n1C ZINC000630054536 361920200 /nfs/dbraw/zinc/92/02/00/361920200.db2.gz XEEZTOYNCYTDMM-UHFFFAOYSA-N 1 2 246.379 3.932 20 0 BHADLO Cc1c(Cl)cccc1-c1c[nH+]c2n1CCCC2 ZINC000630060963 362993358 /nfs/dbraw/zinc/99/33/58/362993358.db2.gz UMOFVVAYVGEKAA-UHFFFAOYSA-N 1 2 246.741 3.848 20 0 BHADLO Cc1scc(C[N@H+]2CCCC(F)(F)C2)c1C ZINC000630072845 363155671 /nfs/dbraw/zinc/15/56/71/363155671.db2.gz KTOJXSAQQICHJD-UHFFFAOYSA-N 1 2 245.338 3.596 20 0 BHADLO Cc1scc(C[N@@H+]2CCCC(F)(F)C2)c1C ZINC000630072845 363155666 /nfs/dbraw/zinc/15/56/66/363155666.db2.gz KTOJXSAQQICHJD-UHFFFAOYSA-N 1 2 245.338 3.596 20 0 BHADLO CC(C)(C)CC(C)(C)Nc1cc[nH+]c(C2CC2)n1 ZINC000630343191 364066423 /nfs/dbraw/zinc/06/64/23/364066423.db2.gz DTGPFWBCMHNMII-UHFFFAOYSA-N 1 2 247.386 3.981 20 0 BHADLO Clc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2 ZINC000630343262 364066055 /nfs/dbraw/zinc/06/60/55/364066055.db2.gz IGTDGDDAGVBQEN-UHFFFAOYSA-N 1 2 243.737 3.856 20 0 BHADLO Clc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2 ZINC000630343262 364066052 /nfs/dbraw/zinc/06/60/52/364066052.db2.gz IGTDGDDAGVBQEN-UHFFFAOYSA-N 1 2 243.737 3.856 20 0 BHADLO FC1(F)CC[C@@H](Nc2cc3ccccc3c[nH+]2)C1 ZINC000631169532 361173422 /nfs/dbraw/zinc/17/34/22/361173422.db2.gz XVUGGLVLMGPVME-GFCCVEGCSA-N 1 2 248.276 3.835 20 0 BHADLO FC1(F)CC[C@H](Nc2cc3ccccc3c[nH+]2)C1 ZINC000631169534 361173090 /nfs/dbraw/zinc/17/30/90/361173090.db2.gz XVUGGLVLMGPVME-LBPRGKRZSA-N 1 2 248.276 3.835 20 0 BHADLO FC(F)C1(CNc2cc3ccccc3c[nH+]2)CC1 ZINC000631255140 372264315 /nfs/dbraw/zinc/26/43/15/372264315.db2.gz VLSKJEMXGULOSP-UHFFFAOYSA-N 1 2 248.276 3.692 20 0 BHADLO C[C@]1(CNc2cc3ccccc3c[nH+]2)CC1(F)F ZINC000631369023 372319617 /nfs/dbraw/zinc/31/96/17/372319617.db2.gz FAXQSBHOVDUROM-CYBMUJFWSA-N 1 2 248.276 3.692 20 0 BHADLO C[C@@]1(CNc2cc3ccccc3c[nH+]2)CC1(F)F ZINC000631369024 372320034 /nfs/dbraw/zinc/32/00/34/372320034.db2.gz FAXQSBHOVDUROM-ZDUSSCGKSA-N 1 2 248.276 3.692 20 0 BHADLO FC1(F)C[C@H]1CCNc1cc2ccccc2c[nH+]1 ZINC000631388116 372331204 /nfs/dbraw/zinc/33/12/04/372331204.db2.gz XMBBMZBPDNQDRG-GFCCVEGCSA-N 1 2 248.276 3.692 20 0 BHADLO FC1(F)C[C@@H]1CCNc1cc2ccccc2c[nH+]1 ZINC000631388117 372331086 /nfs/dbraw/zinc/33/10/86/372331086.db2.gz XMBBMZBPDNQDRG-LBPRGKRZSA-N 1 2 248.276 3.692 20 0 BHADLO CC1(F)CCN(c2[nH+]ccc3ccccc32)CC1 ZINC000631514561 372404405 /nfs/dbraw/zinc/40/44/05/372404405.db2.gz OIFKFVVLYUTIKY-UHFFFAOYSA-N 1 2 244.313 3.563 20 0 BHADLO Cc1cc(C[N@H+]2Cc3ccccc3[C@@H]2C)sn1 ZINC000638095012 351972168 /nfs/dbraw/zinc/97/21/68/351972168.db2.gz ODAQHEGXKITFML-NSHDSACASA-N 1 2 244.363 3.528 20 0 BHADLO Cc1cc(C[N@@H+]2Cc3ccccc3[C@@H]2C)sn1 ZINC000638095012 351972166 /nfs/dbraw/zinc/97/21/66/351972166.db2.gz ODAQHEGXKITFML-NSHDSACASA-N 1 2 244.363 3.528 20 0 BHADLO CC[C@H](c1ccncc1)[N@@H+](C)CC(F)(F)CC ZINC000639551232 356431922 /nfs/dbraw/zinc/43/19/22/356431922.db2.gz ICSVZPURPGPSHM-GFCCVEGCSA-N 1 2 242.313 3.510 20 0 BHADLO CC[C@H](c1ccncc1)[N@H+](C)CC(F)(F)CC ZINC000639551232 356431919 /nfs/dbraw/zinc/43/19/19/356431919.db2.gz ICSVZPURPGPSHM-GFCCVEGCSA-N 1 2 242.313 3.510 20 0 BHADLO CC[C@@H](c1ccncc1)[N@@H+](C)CC(F)(F)CC ZINC000639551234 356432015 /nfs/dbraw/zinc/43/20/15/356432015.db2.gz ICSVZPURPGPSHM-LBPRGKRZSA-N 1 2 242.313 3.510 20 0 BHADLO CC[C@@H](c1ccncc1)[N@H+](C)CC(F)(F)CC ZINC000639551234 356432010 /nfs/dbraw/zinc/43/20/10/356432010.db2.gz ICSVZPURPGPSHM-LBPRGKRZSA-N 1 2 242.313 3.510 20 0 BHADLO CCC(F)(F)C[NH2+]C(C)(C)c1cccs1 ZINC000639580925 356501791 /nfs/dbraw/zinc/50/17/91/356501791.db2.gz QJGLCEDTJGWXJK-UHFFFAOYSA-N 1 2 233.327 3.618 20 0 BHADLO CC1(C)C[N@@H+](CCC(F)(F)F)[C@H]1c1ccco1 ZINC000639926114 357837804 /nfs/dbraw/zinc/83/78/04/357837804.db2.gz HWZGTXGXOOUMAR-JTQLQIEISA-N 1 2 247.260 3.615 20 0 BHADLO CC1(C)C[N@H+](CCC(F)(F)F)[C@H]1c1ccco1 ZINC000639926114 357837800 /nfs/dbraw/zinc/83/78/00/357837800.db2.gz HWZGTXGXOOUMAR-JTQLQIEISA-N 1 2 247.260 3.615 20 0 BHADLO CC1(C)C[N@@H+](CCC(F)(F)F)[C@@H]1c1ccco1 ZINC000639926115 357837888 /nfs/dbraw/zinc/83/78/88/357837888.db2.gz HWZGTXGXOOUMAR-SNVBAGLBSA-N 1 2 247.260 3.615 20 0 BHADLO CC1(C)C[N@H+](CCC(F)(F)F)[C@@H]1c1ccco1 ZINC000639926115 357837884 /nfs/dbraw/zinc/83/78/84/357837884.db2.gz HWZGTXGXOOUMAR-SNVBAGLBSA-N 1 2 247.260 3.615 20 0 BHADLO Fc1c[nH+]ccc1N1CCC[C@@H]1c1cccs1 ZINC000641275127 362340932 /nfs/dbraw/zinc/34/09/32/362340932.db2.gz CQAOWQSZYSBNKN-GFCCVEGCSA-N 1 2 248.326 3.624 20 0 BHADLO Fc1c[nH+]ccc1N1CCC[C@H]1c1cccs1 ZINC000641275131 362341097 /nfs/dbraw/zinc/34/10/97/362341097.db2.gz CQAOWQSZYSBNKN-LBPRGKRZSA-N 1 2 248.326 3.624 20 0 BHADLO Fc1c[nH+]ccc1N1CCC[C@@H]1c1ccsc1 ZINC000641296314 362350039 /nfs/dbraw/zinc/35/00/39/362350039.db2.gz XZSZDCIPDDHUAM-GFCCVEGCSA-N 1 2 248.326 3.624 20 0 BHADLO Fc1c[nH+]ccc1N1CCC[C@H]1c1ccsc1 ZINC000641296315 362349876 /nfs/dbraw/zinc/34/98/76/362349876.db2.gz XZSZDCIPDDHUAM-LBPRGKRZSA-N 1 2 248.326 3.624 20 0 BHADLO CSc1ccc(CNc2ccc(C)[nH+]c2C)o1 ZINC000641740705 362665938 /nfs/dbraw/zinc/66/59/38/362665938.db2.gz BRBQPWRNYIAWJN-UHFFFAOYSA-N 1 2 248.351 3.625 20 0 BHADLO CSc1ccc(CNc2cc(C)c[nH+]c2C)o1 ZINC000641768734 362707103 /nfs/dbraw/zinc/70/71/03/362707103.db2.gz GUJRXBDCWLKCOS-UHFFFAOYSA-N 1 2 248.351 3.625 20 0 BHADLO CCc1cc[nH+]cc1NCc1ccc(SC)o1 ZINC000641769445 362704084 /nfs/dbraw/zinc/70/40/84/362704084.db2.gz HBMVPPBOHFWZCL-UHFFFAOYSA-N 1 2 248.351 3.571 20 0 BHADLO CCC[C@@H]([NH2+][C@H](C)C(F)F)c1ccsc1 ZINC000641791874 362733203 /nfs/dbraw/zinc/73/32/03/362733203.db2.gz OKNZHVTZSGCMRI-PSASIEDQSA-N 1 2 233.327 3.833 20 0 BHADLO CCC[C@H]([NH2+][C@H](C)C(F)F)c1ccsc1 ZINC000641791875 362733300 /nfs/dbraw/zinc/73/33/00/362733300.db2.gz OKNZHVTZSGCMRI-SCZZXKLOSA-N 1 2 233.327 3.833 20 0 BHADLO CCC[C@@H]([NH2+][C@@H](C)C(F)F)c1ccsc1 ZINC000641791876 362732594 /nfs/dbraw/zinc/73/25/94/362732594.db2.gz OKNZHVTZSGCMRI-WCBMZHEXSA-N 1 2 233.327 3.833 20 0 BHADLO CCC[C@H]([NH2+][C@@H](C)C(F)F)c1ccsc1 ZINC000641791877 362733291 /nfs/dbraw/zinc/73/32/91/362733291.db2.gz OKNZHVTZSGCMRI-WPRPVWTQSA-N 1 2 233.327 3.833 20 0 BHADLO C[C@@H]([NH2+][C@H](C)C(F)F)c1cc2c(s1)CCC2 ZINC000641792651 362727983 /nfs/dbraw/zinc/72/79/83/362727983.db2.gz XVPYVGDXUQHXGZ-HTQZYQBOSA-N 1 2 245.338 3.541 20 0 BHADLO C[C@@H]([NH2+][C@@H](C)c1cc2c(s1)CCC2)C(F)F ZINC000641792653 362727540 /nfs/dbraw/zinc/72/75/40/362727540.db2.gz XVPYVGDXUQHXGZ-JGVFFNPUSA-N 1 2 245.338 3.541 20 0 BHADLO C[C@@H]([NH2+][C@@H](C)C(F)F)c1cc2c(s1)CCC2 ZINC000641792654 362728624 /nfs/dbraw/zinc/72/86/24/362728624.db2.gz XVPYVGDXUQHXGZ-SFYZADRCSA-N 1 2 245.338 3.541 20 0 BHADLO C[C@H]([NH2+][C@@H](C)C(F)F)c1cc2c(s1)CCC2 ZINC000641792655 362728860 /nfs/dbraw/zinc/72/88/60/362728860.db2.gz XVPYVGDXUQHXGZ-YUMQZZPRSA-N 1 2 245.338 3.541 20 0 BHADLO CCSc1cccc(C[NH2+][C@H](C)C(F)F)c1 ZINC000641793062 362727699 /nfs/dbraw/zinc/72/76/99/362727699.db2.gz BRVWFTGCYSTYRE-SECBINFHSA-N 1 2 245.338 3.542 20 0 BHADLO CCSc1cccc(C[NH2+][C@@H](C)C(F)F)c1 ZINC000641793063 362727527 /nfs/dbraw/zinc/72/75/27/362727527.db2.gz BRVWFTGCYSTYRE-VIFPVBQESA-N 1 2 245.338 3.542 20 0 BHADLO C[C@@H]([NH2+]Cc1cc2ccccc2s1)C(F)F ZINC000641793599 362735393 /nfs/dbraw/zinc/73/53/93/362735393.db2.gz LGLDJLMTBCDBRD-MRVPVSSYSA-N 1 2 241.306 3.645 20 0 BHADLO C[C@H]([NH2+]Cc1cc2ccccc2s1)C(F)F ZINC000641793600 362735373 /nfs/dbraw/zinc/73/53/73/362735373.db2.gz LGLDJLMTBCDBRD-QMMMGPOBSA-N 1 2 241.306 3.645 20 0 BHADLO CC(C)c1ccc(CN(C)c2cccc[nH+]2)cc1 ZINC000641935539 362806435 /nfs/dbraw/zinc/80/64/35/362806435.db2.gz YCQPZXYPZQAMEA-UHFFFAOYSA-N 1 2 240.350 3.841 20 0 BHADLO CC(C)[N@@H+](CC(F)F)[C@H](C)c1ccsc1 ZINC000643255288 398116678 /nfs/dbraw/zinc/11/66/78/398116678.db2.gz UZPVHRQZPFXXNZ-SECBINFHSA-N 1 2 233.327 3.785 20 0 BHADLO CC(C)[N@H+](CC(F)F)[C@H](C)c1ccsc1 ZINC000643255288 398116672 /nfs/dbraw/zinc/11/66/72/398116672.db2.gz UZPVHRQZPFXXNZ-SECBINFHSA-N 1 2 233.327 3.785 20 0 BHADLO CC(C)[N@@H+](CC(F)F)[C@@H](C)c1ccsc1 ZINC000643255289 398116835 /nfs/dbraw/zinc/11/68/35/398116835.db2.gz UZPVHRQZPFXXNZ-VIFPVBQESA-N 1 2 233.327 3.785 20 0 BHADLO CC(C)[N@H+](CC(F)F)[C@@H](C)c1ccsc1 ZINC000643255289 398116834 /nfs/dbraw/zinc/11/68/34/398116834.db2.gz UZPVHRQZPFXXNZ-VIFPVBQESA-N 1 2 233.327 3.785 20 0 BHADLO CC(C)([NH2+]Cc1cccc(C2CC2)c1)C(F)F ZINC000643293311 386080920 /nfs/dbraw/zinc/08/09/20/386080920.db2.gz CGADMRAQAGBNNL-UHFFFAOYSA-N 1 2 239.309 3.697 20 0 BHADLO Cc1cc(C)c(NC(=O)CCCC2CC2)c(C)[nH+]1 ZINC000643386510 386640481 /nfs/dbraw/zinc/64/04/81/386640481.db2.gz AJWLWNBRQMDIFD-UHFFFAOYSA-N 1 2 246.354 3.526 20 0 BHADLO COc1cc(C)c(-c2cc[nH+]c(C)c2)cc1C ZINC000644613861 385016486 /nfs/dbraw/zinc/01/64/86/385016486.db2.gz MBHNBPCXFVITSI-UHFFFAOYSA-N 1 2 227.307 3.682 20 0 BHADLO Cc1cc(-c2ccc3c(c2)CCC3)cc[nH+]1 ZINC000644614183 385016053 /nfs/dbraw/zinc/01/60/53/385016053.db2.gz LVWSZJQGBXNNFL-UHFFFAOYSA-N 1 2 209.292 3.546 20 0 BHADLO Cc1cc(-c2ccc3c(c2)CC(C)(C)O3)cc[nH+]1 ZINC000644614632 385018942 /nfs/dbraw/zinc/01/89/42/385018942.db2.gz XNDZIZHLOIXFSQ-UHFFFAOYSA-N 1 2 239.318 3.771 20 0 BHADLO COCCCC[N@H+]1CC(C)(C)Cc2ccccc21 ZINC000644717369 385136651 /nfs/dbraw/zinc/13/66/51/385136651.db2.gz ASZTUYMJWBOCJS-UHFFFAOYSA-N 1 2 247.382 3.502 20 0 BHADLO COCCCC[N@@H+]1CC(C)(C)Cc2ccccc21 ZINC000644717369 385136647 /nfs/dbraw/zinc/13/66/47/385136647.db2.gz ASZTUYMJWBOCJS-UHFFFAOYSA-N 1 2 247.382 3.502 20 0 BHADLO CC1(C)C[C@H](c2ccccc2)[N@@H+](CC(F)F)C1 ZINC000644959190 386635948 /nfs/dbraw/zinc/63/59/48/386635948.db2.gz FYLKZXYOMCPJLD-GFCCVEGCSA-N 1 2 239.309 3.725 20 0 BHADLO CC1(C)C[C@H](c2ccccc2)[N@H+](CC(F)F)C1 ZINC000644959190 386635941 /nfs/dbraw/zinc/63/59/41/386635941.db2.gz FYLKZXYOMCPJLD-GFCCVEGCSA-N 1 2 239.309 3.725 20 0 BHADLO CC1(C)C[C@@H](c2ccccc2)[N@@H+](CC(F)F)C1 ZINC000644959191 386636513 /nfs/dbraw/zinc/63/65/13/386636513.db2.gz FYLKZXYOMCPJLD-LBPRGKRZSA-N 1 2 239.309 3.725 20 0 BHADLO CC1(C)C[C@@H](c2ccccc2)[N@H+](CC(F)F)C1 ZINC000644959191 386636507 /nfs/dbraw/zinc/63/65/07/386636507.db2.gz FYLKZXYOMCPJLD-LBPRGKRZSA-N 1 2 239.309 3.725 20 0 BHADLO C[C@@H]1CCCN(c2[nH+]ccc3cc(F)ccc32)C1 ZINC000645094139 386720038 /nfs/dbraw/zinc/72/00/38/386720038.db2.gz HIOJTRRZNBYCEA-LLVKDONJSA-N 1 2 244.313 3.610 20 0 BHADLO C[C@H]1CCCN(c2[nH+]ccc3cc(F)ccc32)C1 ZINC000645094140 386719657 /nfs/dbraw/zinc/71/96/57/386719657.db2.gz HIOJTRRZNBYCEA-NSHDSACASA-N 1 2 244.313 3.610 20 0 BHADLO Cc1cc[nH+]c(NC[C@H](C)CC(F)F)c1Cl ZINC000645306771 386236920 /nfs/dbraw/zinc/23/69/20/386236920.db2.gz KIJHFPPIRJSLLC-SSDOTTSWSA-N 1 2 248.704 3.747 20 0 BHADLO Cc1cc[nH+]c(NC[C@@H](C)CC(F)F)c1Cl ZINC000645306781 386236518 /nfs/dbraw/zinc/23/65/18/386236518.db2.gz KIJHFPPIRJSLLC-ZETCQYMHSA-N 1 2 248.704 3.747 20 0 BHADLO COc1ccc(N[C@@H]2CCCC23CCCC3)[nH+]c1 ZINC000645437368 386691174 /nfs/dbraw/zinc/69/11/74/386691174.db2.gz AHGMCMBDAWZAGH-CYBMUJFWSA-N 1 2 246.354 3.615 20 0 BHADLO COc1ccc(N[C@H]2CCCC23CCCC3)[nH+]c1 ZINC000645437371 386691270 /nfs/dbraw/zinc/69/12/70/386691270.db2.gz AHGMCMBDAWZAGH-ZDUSSCGKSA-N 1 2 246.354 3.615 20 0 BHADLO CCCc1ccc([C@@H](C)[NH2+]CC(C)(F)F)cc1 ZINC000645487712 386481583 /nfs/dbraw/zinc/48/15/83/386481583.db2.gz OBJRPOCNVFCASB-LLVKDONJSA-N 1 2 241.325 3.945 20 0 BHADLO CCCc1ccc([C@H](C)[NH2+]CC(C)(F)F)cc1 ZINC000645487713 386481021 /nfs/dbraw/zinc/48/10/21/386481021.db2.gz OBJRPOCNVFCASB-NSHDSACASA-N 1 2 241.325 3.945 20 0 BHADLO CC(F)(F)C[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000645487908 386488172 /nfs/dbraw/zinc/48/81/72/386488172.db2.gz LDASAMGRKWADDM-GFCCVEGCSA-N 1 2 243.272 3.522 20 0 BHADLO CC(F)(F)C[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000645487909 386489633 /nfs/dbraw/zinc/48/96/33/386489633.db2.gz LDASAMGRKWADDM-LBPRGKRZSA-N 1 2 243.272 3.522 20 0 BHADLO FC(F)[C@H]([NH2+]CC1=CCCC1)c1ccccc1 ZINC000645922431 387777215 /nfs/dbraw/zinc/77/72/15/387777215.db2.gz WJHCNHGVFDTKFX-CYBMUJFWSA-N 1 2 237.293 3.693 20 0 BHADLO FC(F)[C@@H]([NH2+]CC1=CCCC1)c1ccccc1 ZINC000645922432 387776804 /nfs/dbraw/zinc/77/68/04/387776804.db2.gz WJHCNHGVFDTKFX-ZDUSSCGKSA-N 1 2 237.293 3.693 20 0 BHADLO FC(F)C[NH2+]C1(c2cccc(Cl)c2)CCC1 ZINC000646095072 388141462 /nfs/dbraw/zinc/14/14/62/388141462.db2.gz DSEJFHNVRXGSDJ-UHFFFAOYSA-N 1 2 245.700 3.574 20 0 BHADLO Clc1ccccc1C1([NH2+]Cc2ccco2)CC1 ZINC000647224083 384251448 /nfs/dbraw/zinc/25/14/48/384251448.db2.gz NJOKUPKABYLEEU-UHFFFAOYSA-N 1 2 247.725 3.712 20 0 BHADLO Cc1ccc(NC2CCC(F)(F)CC2)c(C)[nH+]1 ZINC000647297475 384957431 /nfs/dbraw/zinc/95/74/31/384957431.db2.gz FXWDZWYMAPBMBJ-UHFFFAOYSA-N 1 2 240.297 3.688 20 0 BHADLO Cc1cccc2[nH+]c3c(c(C)c12)CC(F)(F)CC3 ZINC000647598515 397791308 /nfs/dbraw/zinc/79/13/08/397791308.db2.gz QVJRKUOLVQTOLD-UHFFFAOYSA-N 1 2 247.288 3.976 20 0 BHADLO Cc1c2ccccc2[nH+]c2c1CC(F)(F)CC2 ZINC000647598676 397791542 /nfs/dbraw/zinc/79/15/42/397791542.db2.gz VEHJIJJHWDCBCS-UHFFFAOYSA-N 1 2 233.261 3.667 20 0 BHADLO Cc1cc(C[NH2+]C2(C(F)F)CCCC2)cs1 ZINC000648589698 387360613 /nfs/dbraw/zinc/36/06/13/387360613.db2.gz JIRYZWRRKHJYAI-UHFFFAOYSA-N 1 2 245.338 3.724 20 0 BHADLO CC[C@@H]([NH2+]Cc1ccccc1C1CC1)C(F)F ZINC000648619266 387582322 /nfs/dbraw/zinc/58/23/22/387582322.db2.gz LRQRUWQBNPXBKL-CYBMUJFWSA-N 1 2 239.309 3.697 20 0 BHADLO CC[C@H]([NH2+]Cc1ccccc1C1CC1)C(F)F ZINC000648619267 387582288 /nfs/dbraw/zinc/58/22/88/387582288.db2.gz LRQRUWQBNPXBKL-ZDUSSCGKSA-N 1 2 239.309 3.697 20 0 BHADLO c1[nH]cc(-c2ccccc2OC2CCCCC2)[nH+]1 ZINC000649431728 398232269 /nfs/dbraw/zinc/23/22/69/398232269.db2.gz IDSUJVNYJNJYBP-UHFFFAOYSA-N 1 2 242.322 3.788 20 0 BHADLO Cc1ccc(OC2CCCC2)c(-c2[nH]cc[nH+]2)c1 ZINC000649436062 398238562 /nfs/dbraw/zinc/23/85/62/398238562.db2.gz PGTITEQKNQMNJE-UHFFFAOYSA-N 1 2 242.322 3.707 20 0 BHADLO Cc1ccc(OC2CCCC2)c(-c2c[nH]c[nH+]2)c1 ZINC000649436102 398238646 /nfs/dbraw/zinc/23/86/46/398238646.db2.gz QSYPNVUODZXURA-UHFFFAOYSA-N 1 2 242.322 3.707 20 0 BHADLO Cc1cccc(-c2ccc(N3CCCC3)[nH+]c2)c1 ZINC000649437660 398238921 /nfs/dbraw/zinc/23/89/21/398238921.db2.gz ACORITOKRJHANC-UHFFFAOYSA-N 1 2 238.334 3.657 20 0 BHADLO Cc1ccccc1-c1ccc(N2CCCC2)[nH+]c1 ZINC000649437675 398239050 /nfs/dbraw/zinc/23/90/50/398239050.db2.gz AIWQMHIBBBRLGD-UHFFFAOYSA-N 1 2 238.334 3.657 20 0 BHADLO Cc1cscc1-c1ccc(N2CCCC2)[nH+]c1 ZINC000649437696 398238999 /nfs/dbraw/zinc/23/89/99/398238999.db2.gz AVPICOYPPSYJLO-UHFFFAOYSA-N 1 2 244.363 3.719 20 0 BHADLO Cc1ccc(-c2ccc(N3CCCC3)[nH+]c2)cc1 ZINC000649437913 398239626 /nfs/dbraw/zinc/23/96/26/398239626.db2.gz KOLQBZGVOSMYIB-UHFFFAOYSA-N 1 2 238.334 3.657 20 0 BHADLO Cc1cc(-c2ccc(N3CCCC3)[nH+]c2)cs1 ZINC000649438780 398241181 /nfs/dbraw/zinc/24/11/81/398241181.db2.gz RSMUYFHQOYVKGK-UHFFFAOYSA-N 1 2 244.363 3.719 20 0 BHADLO Cc1sccc1-c1ccc(N2CCCC2)[nH+]c1 ZINC000649438915 398241101 /nfs/dbraw/zinc/24/11/01/398241101.db2.gz YDVZXMIZBPSHLY-UHFFFAOYSA-N 1 2 244.363 3.719 20 0 BHADLO CC(C)(C)Oc1ccc(-c2ccc[nH+]c2N)cc1 ZINC000649440245 398244901 /nfs/dbraw/zinc/24/49/01/398244901.db2.gz BSRMZKHZMYZPSN-UHFFFAOYSA-N 1 2 242.322 3.508 20 0 BHADLO Cc1cc(-c2ccc(OC(C)C)cc2)cc[nH+]1 ZINC000649442098 398243190 /nfs/dbraw/zinc/24/31/90/398243190.db2.gz YJQCIMMPOHAJRK-UHFFFAOYSA-N 1 2 227.307 3.844 20 0 BHADLO CCc1cc(N[C@H](C)c2cccc(C)c2)nc[nH+]1 ZINC000649564614 397954020 /nfs/dbraw/zinc/95/40/20/397954020.db2.gz NSGRVDNEVOMZTA-GFCCVEGCSA-N 1 2 241.338 3.521 20 0 BHADLO CCc1cc(N[C@@H](C)c2cccc(C)c2)nc[nH+]1 ZINC000649564615 397953869 /nfs/dbraw/zinc/95/38/69/397953869.db2.gz NSGRVDNEVOMZTA-LBPRGKRZSA-N 1 2 241.338 3.521 20 0 BHADLO CCc1cc[nH+]cc1NCc1sccc1C ZINC000650242414 398004160 /nfs/dbraw/zinc/00/41/60/398004160.db2.gz JOCIJYCLHPCOKA-UHFFFAOYSA-N 1 2 232.352 3.626 20 0 BHADLO CCc1cc[nH+]cc1NCc1ccc(C)s1 ZINC000650242457 398004180 /nfs/dbraw/zinc/00/41/80/398004180.db2.gz LOUMQVZEUPGSDB-UHFFFAOYSA-N 1 2 232.352 3.626 20 0 BHADLO CCc1cc[nH+]cc1NCc1ccc(Cl)o1 ZINC000650242586 398003949 /nfs/dbraw/zinc/00/39/49/398003949.db2.gz PRVLARBKHHALPE-UHFFFAOYSA-N 1 2 236.702 3.503 20 0 BHADLO CCc1cc[nH+]cc1NCc1csc(C)c1 ZINC000650242937 398005521 /nfs/dbraw/zinc/00/55/21/398005521.db2.gz CZJUOLBTFHIZGD-UHFFFAOYSA-N 1 2 232.352 3.626 20 0 BHADLO CCc1cc[nH+]cc1NCc1ccsc1C ZINC000650242979 398004426 /nfs/dbraw/zinc/00/44/26/398004426.db2.gz FSOBKVAPHPUVQA-UHFFFAOYSA-N 1 2 232.352 3.626 20 0 BHADLO Cc1cc(F)ccc1[C@H]1CCC[N@H+]1CC(F)F ZINC000650267880 398023181 /nfs/dbraw/zinc/02/31/81/398023181.db2.gz URKHTRXVCNZCGM-GFCCVEGCSA-N 1 2 243.272 3.536 20 0 BHADLO Cc1cc(F)ccc1[C@H]1CCC[N@@H+]1CC(F)F ZINC000650267880 398023178 /nfs/dbraw/zinc/02/31/78/398023178.db2.gz URKHTRXVCNZCGM-GFCCVEGCSA-N 1 2 243.272 3.536 20 0 BHADLO Cc1cc(F)ccc1[C@@H]1CCC[N@H+]1CC(F)F ZINC000650267883 398023984 /nfs/dbraw/zinc/02/39/84/398023984.db2.gz URKHTRXVCNZCGM-LBPRGKRZSA-N 1 2 243.272 3.536 20 0 BHADLO Cc1cc(F)ccc1[C@@H]1CCC[N@@H+]1CC(F)F ZINC000650267883 398023980 /nfs/dbraw/zinc/02/39/80/398023980.db2.gz URKHTRXVCNZCGM-LBPRGKRZSA-N 1 2 243.272 3.536 20 0 BHADLO COc1ccc(N[C@@H](C)c2csc(C)c2)[nH+]c1 ZINC000651299828 410906415 /nfs/dbraw/zinc/90/64/15/410906415.db2.gz MMVJOSJOJFVACN-JTQLQIEISA-N 1 2 248.351 3.633 20 0 BHADLO COc1ccc(N[C@H](C)c2csc(C)c2)[nH+]c1 ZINC000651299829 410905183 /nfs/dbraw/zinc/90/51/83/410905183.db2.gz MMVJOSJOJFVACN-SNVBAGLBSA-N 1 2 248.351 3.633 20 0 BHADLO CC[C@@H](Nc1ccc(OC)c[nH+]1)c1ccsc1 ZINC000651299851 410906799 /nfs/dbraw/zinc/90/67/99/410906799.db2.gz XEBIHHUTVIAXJA-GFCCVEGCSA-N 1 2 248.351 3.715 20 0 BHADLO CC[C@H](Nc1ccc(OC)c[nH+]1)c1ccsc1 ZINC000651299852 410905904 /nfs/dbraw/zinc/90/59/04/410905904.db2.gz XEBIHHUTVIAXJA-LBPRGKRZSA-N 1 2 248.351 3.715 20 0 BHADLO CSc1ccc[nH+]c1NC1CC2(CCC2)C1 ZINC000651971374 409943952 /nfs/dbraw/zinc/94/39/52/409943952.db2.gz BUCSKKATILMWGR-UHFFFAOYSA-N 1 2 234.368 3.548 20 0 BHADLO CSc1ccc[nH+]c1N[C@@H]1CC=C(C)CC1 ZINC000651971763 409943639 /nfs/dbraw/zinc/94/36/39/409943639.db2.gz UIWCLHAXXFIODR-LLVKDONJSA-N 1 2 234.368 3.714 20 0 BHADLO CSc1ccc[nH+]c1N[C@H]1CC=C(C)CC1 ZINC000651971764 409943928 /nfs/dbraw/zinc/94/39/28/409943928.db2.gz UIWCLHAXXFIODR-NSHDSACASA-N 1 2 234.368 3.714 20 0 BHADLO CCc1ccc(CNc2[nH+]cccc2SC)o1 ZINC000651971817 409944604 /nfs/dbraw/zinc/94/46/04/409944604.db2.gz WENMDXGUCXSSLC-UHFFFAOYSA-N 1 2 248.351 3.571 20 0 BHADLO CSc1ccc[nH+]c1NC1CCCCC1 ZINC000651971885 409942701 /nfs/dbraw/zinc/94/27/01/409942701.db2.gz YWUQZRFPZRYQNV-UHFFFAOYSA-N 1 2 222.357 3.548 20 0 BHADLO CCc1cc[nH+]cc1N[C@H](C)CCC(F)(F)F ZINC000651979470 491127639 /nfs/dbraw/zinc/12/76/39/491127639.db2.gz UDUPGDSDRCXVME-SECBINFHSA-N 1 2 246.276 3.787 20 0 BHADLO CCc1cc[nH+]cc1N[C@@H](C)CCC(F)(F)F ZINC000651979471 491127643 /nfs/dbraw/zinc/12/76/43/491127643.db2.gz UDUPGDSDRCXVME-VIFPVBQESA-N 1 2 246.276 3.787 20 0 BHADLO CCc1cc[nH+]cc1NC1CCC(F)(F)CC1 ZINC000651979622 410114901 /nfs/dbraw/zinc/11/49/01/410114901.db2.gz BJFHLNAUEHYSNS-UHFFFAOYSA-N 1 2 240.297 3.634 20 0 BHADLO CC[C@]1(C)CCC[C@@H]1Nc1cc(COC)cc[nH+]1 ZINC000652067664 411103094 /nfs/dbraw/zinc/10/30/94/411103094.db2.gz CBWVZESMKPXRFC-DZGCQCFKSA-N 1 2 248.370 3.609 20 0 BHADLO CC[C@@]1(C)CCC[C@H]1Nc1cc(COC)cc[nH+]1 ZINC000652067665 411104037 /nfs/dbraw/zinc/10/40/37/411104037.db2.gz CBWVZESMKPXRFC-HIFRSBDPSA-N 1 2 248.370 3.609 20 0 BHADLO CC[C@]1(C)CCC[C@H]1Nc1cc(COC)cc[nH+]1 ZINC000652067666 411103593 /nfs/dbraw/zinc/10/35/93/411103593.db2.gz CBWVZESMKPXRFC-UKRRQHHQSA-N 1 2 248.370 3.609 20 0 BHADLO CC[C@@]1(C)CCC[C@@H]1Nc1cc(COC)cc[nH+]1 ZINC000652067667 411103421 /nfs/dbraw/zinc/10/34/21/411103421.db2.gz CBWVZESMKPXRFC-ZFWWWQNUSA-N 1 2 248.370 3.609 20 0 BHADLO COCc1cc[nH+]c(N[C@H](C)C2CCCCC2)c1 ZINC000652067838 411105501 /nfs/dbraw/zinc/10/55/01/411105501.db2.gz JGULWUCZMJDEBX-GFCCVEGCSA-N 1 2 248.370 3.609 20 0 BHADLO COCc1cc[nH+]c(N[C@@H](C)C2CCCCC2)c1 ZINC000652067839 411104810 /nfs/dbraw/zinc/10/48/10/411104810.db2.gz JGULWUCZMJDEBX-LBPRGKRZSA-N 1 2 248.370 3.609 20 0 BHADLO CC[C@H](Nc1cc(COC)cc[nH+]1)C1CCCC1 ZINC000652067848 411104996 /nfs/dbraw/zinc/10/49/96/411104996.db2.gz JMSJDHUCPZQXLW-AWEZNQCLSA-N 1 2 248.370 3.609 20 0 BHADLO CC[C@@H](Nc1cc(COC)cc[nH+]1)C1CCCC1 ZINC000652067849 411105676 /nfs/dbraw/zinc/10/56/76/411105676.db2.gz JMSJDHUCPZQXLW-CQSZACIVSA-N 1 2 248.370 3.609 20 0 BHADLO CCCC[C@@H](CC)Nc1cc(COC)cc[nH+]1 ZINC000652068006 411104800 /nfs/dbraw/zinc/10/48/00/411104800.db2.gz OSKQQBTZKVAMDR-CYBMUJFWSA-N 1 2 236.359 3.609 20 0 BHADLO CCCC[C@H](CC)Nc1cc(COC)cc[nH+]1 ZINC000652068007 411105000 /nfs/dbraw/zinc/10/50/00/411105000.db2.gz OSKQQBTZKVAMDR-ZDUSSCGKSA-N 1 2 236.359 3.609 20 0 BHADLO COCc1cc[nH+]c(N[C@@H]2CCCC(C)(C)C2)c1 ZINC000652068054 411105174 /nfs/dbraw/zinc/10/51/74/411105174.db2.gz PYHQLZATKLXWHY-CYBMUJFWSA-N 1 2 248.370 3.609 20 0 BHADLO COCc1cc[nH+]c(N[C@H]2CCCC(C)(C)C2)c1 ZINC000652068055 411105131 /nfs/dbraw/zinc/10/51/31/411105131.db2.gz PYHQLZATKLXWHY-ZDUSSCGKSA-N 1 2 248.370 3.609 20 0 BHADLO COCc1cc[nH+]c(N[C@H](C)CC2CCCC2)c1 ZINC000652068322 411105615 /nfs/dbraw/zinc/10/56/15/411105615.db2.gz ZXARTAGGRQEIIA-GFCCVEGCSA-N 1 2 248.370 3.609 20 0 BHADLO COCc1cc[nH+]c(N[C@@H](C)CC2CCCC2)c1 ZINC000652068323 411104688 /nfs/dbraw/zinc/10/46/88/411104688.db2.gz ZXARTAGGRQEIIA-LBPRGKRZSA-N 1 2 248.370 3.609 20 0 BHADLO COCc1cc[nH+]c(NC2CCC(C)(C)CC2)c1 ZINC000652068564 411105421 /nfs/dbraw/zinc/10/54/21/411105421.db2.gz HKNMPQYGOWTWSM-UHFFFAOYSA-N 1 2 248.370 3.609 20 0 BHADLO CCCC(CCC)Nc1cc(COC)cc[nH+]1 ZINC000652068662 411105477 /nfs/dbraw/zinc/10/54/77/411105477.db2.gz KOOAEUIYPKUIBJ-UHFFFAOYSA-N 1 2 236.359 3.609 20 0 BHADLO COCc1cc[nH+]c(N[C@@H]2CCCCC2(C)C)c1 ZINC000652068727 411105239 /nfs/dbraw/zinc/10/52/39/411105239.db2.gz MVTXJELHTXFONT-CYBMUJFWSA-N 1 2 248.370 3.609 20 0 BHADLO COCc1cc[nH+]c(N[C@H]2CCCCC2(C)C)c1 ZINC000652068728 411104707 /nfs/dbraw/zinc/10/47/07/411104707.db2.gz MVTXJELHTXFONT-ZDUSSCGKSA-N 1 2 248.370 3.609 20 0 BHADLO CCC1CCC(Nc2cc(COC)cc[nH+]2)CC1 ZINC000652069057 411106740 /nfs/dbraw/zinc/10/67/40/411106740.db2.gz YAEAJIYIRXMLEW-UHFFFAOYSA-N 1 2 248.370 3.609 20 0 BHADLO COCc1cc[nH+]c(N[C@H](C)CCC=C(C)C)c1 ZINC000652069072 411106147 /nfs/dbraw/zinc/10/61/47/411106147.db2.gz YPXWKVLMJWRJDQ-CYBMUJFWSA-N 1 2 248.370 3.775 20 0 BHADLO COCc1cc[nH+]c(N[C@@H](C)CCC=C(C)C)c1 ZINC000652069073 411106772 /nfs/dbraw/zinc/10/67/72/411106772.db2.gz YPXWKVLMJWRJDQ-ZDUSSCGKSA-N 1 2 248.370 3.775 20 0 BHADLO CC[C@H]1CCC[C@@H](Nc2cc(COC)cc[nH+]2)C1 ZINC000652069096 411106610 /nfs/dbraw/zinc/10/66/10/411106610.db2.gz ZJLGYQAUJSYVQO-GXTWGEPZSA-N 1 2 248.370 3.609 20 0 BHADLO CC[C@H]1CCC[C@H](Nc2cc(COC)cc[nH+]2)C1 ZINC000652069097 411106409 /nfs/dbraw/zinc/10/64/09/411106409.db2.gz ZJLGYQAUJSYVQO-JSGCOSHPSA-N 1 2 248.370 3.609 20 0 BHADLO CC[C@@H]1CCC[C@H](Nc2cc(COC)cc[nH+]2)C1 ZINC000652069098 411106794 /nfs/dbraw/zinc/10/67/94/411106794.db2.gz ZJLGYQAUJSYVQO-OCCSQVGLSA-N 1 2 248.370 3.609 20 0 BHADLO CC[C@@H]1CCC[C@@H](Nc2cc(COC)cc[nH+]2)C1 ZINC000652069099 411106570 /nfs/dbraw/zinc/10/65/70/411106570.db2.gz ZJLGYQAUJSYVQO-TZMCWYRMSA-N 1 2 248.370 3.609 20 0 BHADLO CCC[C@H]1CCC[C@@H]1Nc1cc(COC)cc[nH+]1 ZINC000652330679 411202508 /nfs/dbraw/zinc/20/25/08/411202508.db2.gz MPGHCZPLHBIQCO-KBPBESRZSA-N 1 2 248.370 3.609 20 0 BHADLO CCC[C@@H]1CCC[C@@H]1Nc1cc(COC)cc[nH+]1 ZINC000652330680 411202782 /nfs/dbraw/zinc/20/27/82/411202782.db2.gz MPGHCZPLHBIQCO-KGLIPLIRSA-N 1 2 248.370 3.609 20 0 BHADLO CCC[C@H]1CCC[C@H]1Nc1cc(COC)cc[nH+]1 ZINC000652330681 411202766 /nfs/dbraw/zinc/20/27/66/411202766.db2.gz MPGHCZPLHBIQCO-UONOGXRCSA-N 1 2 248.370 3.609 20 0 BHADLO CCC[C@@H]1CCC[C@H]1Nc1cc(COC)cc[nH+]1 ZINC000652330682 411202692 /nfs/dbraw/zinc/20/26/92/411202692.db2.gz MPGHCZPLHBIQCO-ZIAGYGMSSA-N 1 2 248.370 3.609 20 0 BHADLO CCC[C@H](Nc1cc(COC)cc[nH+]1)C1CCC1 ZINC000652331636 487922225 /nfs/dbraw/zinc/92/22/25/487922225.db2.gz NTPRPXJQHGCRFC-AWEZNQCLSA-N 1 2 248.370 3.609 20 0 BHADLO CCC[C@@H](Nc1cc(COC)cc[nH+]1)C1CCC1 ZINC000652331637 487922241 /nfs/dbraw/zinc/92/22/41/487922241.db2.gz NTPRPXJQHGCRFC-CQSZACIVSA-N 1 2 248.370 3.609 20 0 BHADLO CC/C=C\CC[NH+]1Cc2cc(F)c(F)cc2C1 ZINC000653830421 411195814 /nfs/dbraw/zinc/19/58/14/411195814.db2.gz AHMXZFXZORIOGF-ARJAWSKDSA-N 1 2 237.293 3.637 20 0 BHADLO CC/C=C/CC[NH+]1Cc2cc(F)c(F)cc2C1 ZINC000653830423 411196117 /nfs/dbraw/zinc/19/61/17/411196117.db2.gz AHMXZFXZORIOGF-ONEGZZNKSA-N 1 2 237.293 3.637 20 0 BHADLO Cc1cc(N[C@@H](C)c2[nH+]ccn2C)ccc1Cl ZINC000655846143 488013325 /nfs/dbraw/zinc/01/33/25/488013325.db2.gz ISZXUKONDZJCFD-JTQLQIEISA-N 1 2 249.745 3.555 20 0 BHADLO Cc1cc(N[C@H](C)c2[nH+]ccn2C)ccc1Cl ZINC000655846144 488013775 /nfs/dbraw/zinc/01/37/75/488013775.db2.gz ISZXUKONDZJCFD-SNVBAGLBSA-N 1 2 249.745 3.555 20 0 BHADLO CC(C)([NH2+]Cc1ccc(C2CC2)cc1)C(F)F ZINC000656582810 411304202 /nfs/dbraw/zinc/30/42/02/411304202.db2.gz TVDMIXAAOXOTSB-UHFFFAOYSA-N 1 2 239.309 3.697 20 0 BHADLO c1cc(CNc2c[nH+]cc3c2CCCC3)cs1 ZINC000656775825 411356761 /nfs/dbraw/zinc/35/67/61/411356761.db2.gz BNPRMIOOIHVZPF-UHFFFAOYSA-N 1 2 244.363 3.634 20 0 BHADLO c1csc(CNc2c[nH+]cc3c2CCCC3)c1 ZINC000656776811 411357159 /nfs/dbraw/zinc/35/71/59/411357159.db2.gz SSFCNVBXKTWXHK-UHFFFAOYSA-N 1 2 244.363 3.634 20 0 BHADLO C[N@@H+](CC(F)F)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000657103444 411407023 /nfs/dbraw/zinc/40/70/23/411407023.db2.gz SCOQXZOMLUALFV-CHWSQXEVSA-N 1 2 239.309 3.520 20 0 BHADLO C[N@H+](CC(F)F)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000657103444 411407020 /nfs/dbraw/zinc/40/70/20/411407020.db2.gz SCOQXZOMLUALFV-CHWSQXEVSA-N 1 2 239.309 3.520 20 0 BHADLO C[N@@H+](CC(F)F)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000657103446 411407091 /nfs/dbraw/zinc/40/70/91/411407091.db2.gz SCOQXZOMLUALFV-OLZOCXBDSA-N 1 2 239.309 3.520 20 0 BHADLO C[N@H+](CC(F)F)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000657103446 411407089 /nfs/dbraw/zinc/40/70/89/411407089.db2.gz SCOQXZOMLUALFV-OLZOCXBDSA-N 1 2 239.309 3.520 20 0 BHADLO C[N@@H+](CC(F)F)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000657103449 411407165 /nfs/dbraw/zinc/40/71/65/411407165.db2.gz SCOQXZOMLUALFV-QWHCGFSZSA-N 1 2 239.309 3.520 20 0 BHADLO C[N@H+](CC(F)F)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000657103449 411407163 /nfs/dbraw/zinc/40/71/63/411407163.db2.gz SCOQXZOMLUALFV-QWHCGFSZSA-N 1 2 239.309 3.520 20 0 BHADLO C[N@@H+](CC(F)F)[C@H]1CCC[C@H]1c1ccccc1 ZINC000657103450 411407082 /nfs/dbraw/zinc/40/70/82/411407082.db2.gz SCOQXZOMLUALFV-STQMWFEESA-N 1 2 239.309 3.520 20 0 BHADLO C[N@H+](CC(F)F)[C@H]1CCC[C@H]1c1ccccc1 ZINC000657103450 411407079 /nfs/dbraw/zinc/40/70/79/411407079.db2.gz SCOQXZOMLUALFV-STQMWFEESA-N 1 2 239.309 3.520 20 0 BHADLO CC(C)=CCCn1c[nH+]c2cc(F)c(F)cc21 ZINC000657242438 411424809 /nfs/dbraw/zinc/42/48/09/411424809.db2.gz ODJKHGFLFYQSDM-UHFFFAOYSA-N 1 2 236.265 3.671 20 0 BHADLO Cc1c[nH]c(CNc2ccc(C(C)(C)C)cc2)[nH+]1 ZINC000657319761 411460826 /nfs/dbraw/zinc/46/08/26/411460826.db2.gz MWFYHNVHQJNCJG-UHFFFAOYSA-N 1 2 243.354 3.628 20 0 BHADLO CCCCc1ccc(NCc2[nH]cc(C)[nH+]2)cc1 ZINC000657320002 411461330 /nfs/dbraw/zinc/46/13/30/411461330.db2.gz SDPAFWABZJINHS-UHFFFAOYSA-N 1 2 243.354 3.673 20 0 BHADLO CCc1cccc(NCc2[nH+]ccn2C(C)C)c1 ZINC000657321207 411461946 /nfs/dbraw/zinc/46/19/46/411461946.db2.gz QLFKVUVGCHWWIZ-UHFFFAOYSA-N 1 2 243.354 3.639 20 0 BHADLO Cc1[nH]c(CNc2ccc(Cl)cc2C)[nH+]c1C ZINC000657420775 411502346 /nfs/dbraw/zinc/50/23/46/411502346.db2.gz VZXODZQVWIGHCG-UHFFFAOYSA-N 1 2 249.745 3.600 20 0 BHADLO Cc1[nH]c(CNc2ccc(C3CC3)cc2)[nH+]c1C ZINC000657424669 411505283 /nfs/dbraw/zinc/50/52/83/411505283.db2.gz DZLUWSGFTALEHX-UHFFFAOYSA-N 1 2 241.338 3.516 20 0 BHADLO Cc1c[nH]c(CNc2ccc(C3CCC3)cc2)[nH+]1 ZINC000657452736 411514708 /nfs/dbraw/zinc/51/47/08/411514708.db2.gz XLVMZPHXGNZAGL-UHFFFAOYSA-N 1 2 241.338 3.598 20 0 BHADLO Cc1c[nH]c(CNc2cc(C)c(Cl)c(C)c2)[nH+]1 ZINC000657458924 411517584 /nfs/dbraw/zinc/51/75/84/411517584.db2.gz RFTFVIQGYZHLRV-UHFFFAOYSA-N 1 2 249.745 3.600 20 0 BHADLO CCc1ccc(NCc2[nH]cc(C)[nH+]2)cc1Cl ZINC000657464418 411518144 /nfs/dbraw/zinc/51/81/44/411518144.db2.gz ZAKOZRBGUVQSOT-UHFFFAOYSA-N 1 2 249.745 3.546 20 0 BHADLO Cc1c[nH]c(CNc2cccc(C3CCC3)c2)[nH+]1 ZINC000657473093 411524319 /nfs/dbraw/zinc/52/43/19/411524319.db2.gz WPPPNXYNJKFAOS-UHFFFAOYSA-N 1 2 241.338 3.598 20 0 BHADLO Cc1c[nH]c(CNc2cc(C)c(C)cc2Cl)[nH+]1 ZINC000657478436 411525995 /nfs/dbraw/zinc/52/59/95/411525995.db2.gz KLASNTUFOWRYQT-UHFFFAOYSA-N 1 2 249.745 3.600 20 0 BHADLO Cc1c[nH]c(CNc2ccc(C)c(C)c2Cl)[nH+]1 ZINC000657498048 411536954 /nfs/dbraw/zinc/53/69/54/411536954.db2.gz LLXVZWMDMVFWBP-UHFFFAOYSA-N 1 2 249.745 3.600 20 0 BHADLO Cc1[nH]c(CNc2ccc(Cl)c(C)c2)[nH+]c1C ZINC000657506405 411540007 /nfs/dbraw/zinc/54/00/07/411540007.db2.gz IHLNTWWJMLZLSJ-UHFFFAOYSA-N 1 2 249.745 3.600 20 0 BHADLO COc1cc(C)c(C)cc1[NH2+][C@H](C)C1CC1 ZINC000657579602 411554198 /nfs/dbraw/zinc/55/41/98/411554198.db2.gz FFZJJDWQROSGEC-LLVKDONJSA-N 1 2 219.328 3.522 20 0 BHADLO COc1cc(C)c(C)cc1[NH2+][C@@H](C)C1CC1 ZINC000657579604 411554106 /nfs/dbraw/zinc/55/41/06/411554106.db2.gz FFZJJDWQROSGEC-NSHDSACASA-N 1 2 219.328 3.522 20 0 BHADLO CC(C)(C)C(F)(F)C[NH2+]Cc1cccs1 ZINC000657793235 411599276 /nfs/dbraw/zinc/59/92/76/411599276.db2.gz ILWXWWXLAINYAE-UHFFFAOYSA-N 1 2 233.327 3.519 20 0 BHADLO CC(C)(C)C(F)(F)C[NH2+]Cc1ccsc1 ZINC000657793279 411598755 /nfs/dbraw/zinc/59/87/55/411598755.db2.gz JJXFBIDYUGFUFD-UHFFFAOYSA-N 1 2 233.327 3.519 20 0 BHADLO CCc1c[nH+]ccc1[C@H](C)[C@@H](C)C1(OC)CCC1 ZINC000657908783 490296080 /nfs/dbraw/zinc/29/60/80/490296080.db2.gz BJAYZVNFTJJLRD-CHWSQXEVSA-N 1 2 247.382 3.953 20 0 BHADLO CCc1c[nH+]ccc1[C@H](C)[C@H](C)C1(OC)CCC1 ZINC000657908784 488180688 /nfs/dbraw/zinc/18/06/88/488180688.db2.gz BJAYZVNFTJJLRD-OLZOCXBDSA-N 1 2 247.382 3.953 20 0 BHADLO CCc1c[nH+]ccc1[C@@H](C)[C@@H](C)C1(OC)CCC1 ZINC000657908787 488180736 /nfs/dbraw/zinc/18/07/36/488180736.db2.gz BJAYZVNFTJJLRD-QWHCGFSZSA-N 1 2 247.382 3.953 20 0 BHADLO CCc1c[nH+]ccc1[C@@H](C)[C@H](C)C1(OC)CCC1 ZINC000657908790 488180723 /nfs/dbraw/zinc/18/07/23/488180723.db2.gz BJAYZVNFTJJLRD-STQMWFEESA-N 1 2 247.382 3.953 20 0 BHADLO CCc1c[nH+]ccc1[C@@H](C)[C@H]1COC2(CCC2)C1 ZINC000657908813 488180573 /nfs/dbraw/zinc/18/05/73/488180573.db2.gz BNSSICPPAPQQCM-GXTWGEPZSA-N 1 2 245.366 3.707 20 0 BHADLO CCc1c[nH+]ccc1[C@@H](C)[C@@H]1COC2(CCC2)C1 ZINC000657908816 488180491 /nfs/dbraw/zinc/18/04/91/488180491.db2.gz BNSSICPPAPQQCM-JSGCOSHPSA-N 1 2 245.366 3.707 20 0 BHADLO CCc1c[nH+]ccc1[C@H](C)[C@@H]1COC2(CCC2)C1 ZINC000657908819 488180660 /nfs/dbraw/zinc/18/06/60/488180660.db2.gz BNSSICPPAPQQCM-OCCSQVGLSA-N 1 2 245.366 3.707 20 0 BHADLO CCc1c[nH+]ccc1[C@H](C)[C@H]1COC2(CCC2)C1 ZINC000657908822 488180844 /nfs/dbraw/zinc/18/08/44/488180844.db2.gz BNSSICPPAPQQCM-TZMCWYRMSA-N 1 2 245.366 3.707 20 0 BHADLO C[C@@H]([NH2+]CC(F)(F)C(C)(C)C)c1ccco1 ZINC000658337116 411345085 /nfs/dbraw/zinc/34/50/85/411345085.db2.gz NTPQYWPRQZFXTB-SECBINFHSA-N 1 2 231.286 3.612 20 0 BHADLO C[C@H]([NH2+]CC(F)(F)C(C)(C)C)c1ccco1 ZINC000658337117 411345043 /nfs/dbraw/zinc/34/50/43/411345043.db2.gz NTPQYWPRQZFXTB-VIFPVBQESA-N 1 2 231.286 3.612 20 0 BHADLO C[C@@H]([NH2+]CC(F)(F)C(C)(C)C)c1ccoc1 ZINC000658337139 411345405 /nfs/dbraw/zinc/34/54/05/411345405.db2.gz OTRXCFPOFJZLQM-SECBINFHSA-N 1 2 231.286 3.612 20 0 BHADLO C[C@H]([NH2+]CC(F)(F)C(C)(C)C)c1ccoc1 ZINC000658337140 411344647 /nfs/dbraw/zinc/34/46/47/411344647.db2.gz OTRXCFPOFJZLQM-VIFPVBQESA-N 1 2 231.286 3.612 20 0 BHADLO Cc1ccc([C@H](C)[NH2+]CC(F)(F)C(C)(C)C)o1 ZINC000658337194 411345179 /nfs/dbraw/zinc/34/51/79/411345179.db2.gz QKDASTFLYVJDGN-JTQLQIEISA-N 1 2 245.313 3.920 20 0 BHADLO Cc1ccc([C@@H](C)[NH2+]CC(F)(F)C(C)(C)C)o1 ZINC000658337197 411345019 /nfs/dbraw/zinc/34/50/19/411345019.db2.gz QKDASTFLYVJDGN-SNVBAGLBSA-N 1 2 245.313 3.920 20 0 BHADLO CC[C@](C)([NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1)C(F)(F)F ZINC000660082640 411535112 /nfs/dbraw/zinc/53/51/12/411535112.db2.gz CQSNRDZRUHNYLG-KXNHARMFSA-N 1 2 249.320 3.743 20 0 BHADLO CC[C@](C)([NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1)C(F)(F)F ZINC000660082642 411535168 /nfs/dbraw/zinc/53/51/68/411535168.db2.gz CQSNRDZRUHNYLG-WYUUTHIRSA-N 1 2 249.320 3.743 20 0 BHADLO CC[C@](C)([NH2+]CCC=C(C)C)C(F)(F)F ZINC000660084110 411535607 /nfs/dbraw/zinc/53/56/07/411535607.db2.gz UQDGNFGMGJNYFA-JTQLQIEISA-N 1 2 223.282 3.663 20 0 BHADLO CC[C@@](C)([NH2+]CCC=C(C)C)C(F)(F)F ZINC000660084111 411535564 /nfs/dbraw/zinc/53/55/64/411535564.db2.gz UQDGNFGMGJNYFA-SNVBAGLBSA-N 1 2 223.282 3.663 20 0 BHADLO CCC(CC)C[NH2+][C@@](C)(CC)C(F)(F)F ZINC000660084158 411535142 /nfs/dbraw/zinc/53/51/42/411535142.db2.gz VOSDGOSZMYZKJH-JTQLQIEISA-N 1 2 225.298 3.743 20 0 BHADLO CCC(CC)C[NH2+][C@](C)(CC)C(F)(F)F ZINC000660084232 411535146 /nfs/dbraw/zinc/53/51/46/411535146.db2.gz VOSDGOSZMYZKJH-SNVBAGLBSA-N 1 2 225.298 3.743 20 0 BHADLO CC(C)(C)[C@H]([NH2+]CCC1CCC1)C(F)(F)F ZINC000660212849 411554382 /nfs/dbraw/zinc/55/43/82/411554382.db2.gz NGBGJKLRICUYOI-JTQLQIEISA-N 1 2 237.309 3.743 20 0 BHADLO CC(C)(C)[C@@H]([NH2+]CCC1CCC1)C(F)(F)F ZINC000660212851 411554343 /nfs/dbraw/zinc/55/43/43/411554343.db2.gz NGBGJKLRICUYOI-SNVBAGLBSA-N 1 2 237.309 3.743 20 0 BHADLO CC(C)(C)[C@H]([NH2+]CC1CC=CC1)C(F)(F)F ZINC000660213322 487812203 /nfs/dbraw/zinc/81/22/03/487812203.db2.gz REMHHGIQWRPUHG-JTQLQIEISA-N 1 2 235.293 3.519 20 0 BHADLO CC(C)(C)[C@@H]([NH2+]CC1CC=CC1)C(F)(F)F ZINC000660213324 487812225 /nfs/dbraw/zinc/81/22/25/487812225.db2.gz REMHHGIQWRPUHG-SNVBAGLBSA-N 1 2 235.293 3.519 20 0 BHADLO CC(C)=CCC[NH2+][C@@H](C(C)(C)C)C(F)(F)F ZINC000660213393 411554531 /nfs/dbraw/zinc/55/45/31/411554531.db2.gz SPVGFKLSRRGRRX-JTQLQIEISA-N 1 2 237.309 3.909 20 0 BHADLO CC(C)=CCC[NH2+][C@H](C(C)(C)C)C(F)(F)F ZINC000660213394 411554267 /nfs/dbraw/zinc/55/42/67/411554267.db2.gz SPVGFKLSRRGRRX-SNVBAGLBSA-N 1 2 237.309 3.909 20 0 BHADLO CC(C)(C)[C@@H]([NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)C(F)(F)F ZINC000660213719 411554786 /nfs/dbraw/zinc/55/47/86/411554786.db2.gz WXFGREOZFZXAAM-LMLFDSFASA-N 1 2 249.320 3.599 20 0 BHADLO CC(C)(C)[C@H]([NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)C(F)(F)F ZINC000660213721 411554415 /nfs/dbraw/zinc/55/44/15/411554415.db2.gz WXFGREOZFZXAAM-VLEAKVRGSA-N 1 2 249.320 3.599 20 0 BHADLO CC(C)=CCC[NH2+][C@H](c1ccccc1)C(F)F ZINC000660624519 411358453 /nfs/dbraw/zinc/35/84/53/411358453.db2.gz ASASINKIBOXRFC-CYBMUJFWSA-N 1 2 239.309 3.939 20 0 BHADLO CC(C)=CCC[NH2+][C@@H](c1ccccc1)C(F)F ZINC000660624520 411358108 /nfs/dbraw/zinc/35/81/08/411358108.db2.gz ASASINKIBOXRFC-ZDUSSCGKSA-N 1 2 239.309 3.939 20 0 BHADLO FC(F)[C@H]([NH2+]CCC1CCC1)c1ccccc1 ZINC000660625658 411609220 /nfs/dbraw/zinc/60/92/20/411609220.db2.gz QXDPTYXHIMWRLI-CYBMUJFWSA-N 1 2 239.309 3.773 20 0 BHADLO FC(F)[C@@H]([NH2+]CCC1CCC1)c1ccccc1 ZINC000660625659 411609010 /nfs/dbraw/zinc/60/90/10/411609010.db2.gz QXDPTYXHIMWRLI-ZDUSSCGKSA-N 1 2 239.309 3.773 20 0 BHADLO CC(C)=CCC[NH+]1Cc2cc(F)c(F)cc2C1 ZINC000660926754 411678075 /nfs/dbraw/zinc/67/80/75/411678075.db2.gz RQCRHMSJENZEQX-UHFFFAOYSA-N 1 2 237.293 3.637 20 0 BHADLO CC(C)(C)[N@H+](Cc1ccsc1)CC(F)F ZINC000661136120 411716626 /nfs/dbraw/zinc/71/66/26/411716626.db2.gz NOTBJUXFPWPGKO-UHFFFAOYSA-N 1 2 233.327 3.614 20 0 BHADLO CC(C)(C)[N@@H+](Cc1ccsc1)CC(F)F ZINC000661136120 411716624 /nfs/dbraw/zinc/71/66/24/411716624.db2.gz NOTBJUXFPWPGKO-UHFFFAOYSA-N 1 2 233.327 3.614 20 0 BHADLO COc1cc(SC)ccc1[NH2+]CC1CC=CC1 ZINC000663283888 412410110 /nfs/dbraw/zinc/41/01/10/412410110.db2.gz NBFRNNYOVAAGOF-UHFFFAOYSA-N 1 2 249.379 3.795 20 0 BHADLO CC(C)c1cccc(C[NH2+]C2(C(F)F)CC2)c1 ZINC000663322254 411624005 /nfs/dbraw/zinc/62/40/05/411624005.db2.gz GDZOAYSFEYEYIV-UHFFFAOYSA-N 1 2 239.309 3.697 20 0 BHADLO CC(C)(F)CCNc1ccc2ccccc2[nH+]1 ZINC000664370028 411932303 /nfs/dbraw/zinc/93/23/03/411932303.db2.gz YBSUQTOIKAREHI-UHFFFAOYSA-N 1 2 232.302 3.785 20 0 BHADLO Cc1cc[nH+]c(NCCC(C)(C)F)c1Cl ZINC000664373030 411933785 /nfs/dbraw/zinc/93/37/85/411933785.db2.gz ZBDNNGGFIZZPQS-UHFFFAOYSA-N 1 2 230.714 3.594 20 0 BHADLO C[C@]1(CNc2ccc3ccccc3[nH+]2)CC1(F)F ZINC000664398446 410577593 /nfs/dbraw/zinc/57/75/93/410577593.db2.gz YCTQGYYRTIKPRI-CYBMUJFWSA-N 1 2 248.276 3.692 20 0 BHADLO C[C@@]1(CNc2ccc3ccccc3[nH+]2)CC1(F)F ZINC000664398453 410577828 /nfs/dbraw/zinc/57/78/28/410577828.db2.gz YCTQGYYRTIKPRI-ZDUSSCGKSA-N 1 2 248.276 3.692 20 0 BHADLO Cc1cc[nH+]c(NC[C@]2(C)CC2(F)F)c1Cl ZINC000664400255 411944819 /nfs/dbraw/zinc/94/48/19/411944819.db2.gz LPVPKDBTFCABGY-JTQLQIEISA-N 1 2 246.688 3.501 20 0 BHADLO Cc1cc[nH+]c(NC[C@@]2(C)CC2(F)F)c1Cl ZINC000664400256 411944103 /nfs/dbraw/zinc/94/41/03/411944103.db2.gz LPVPKDBTFCABGY-SNVBAGLBSA-N 1 2 246.688 3.501 20 0 BHADLO Cc1cc2ccccc2[nH+]c1N1CC2CC1(C)C2 ZINC000664693093 412010380 /nfs/dbraw/zinc/01/03/80/412010380.db2.gz ICYYWJXAEJOHLJ-UHFFFAOYSA-N 1 2 238.334 3.532 20 0 BHADLO Cc1c[nH+]ccc1-c1ccc(N)c(C(C)C)c1 ZINC000665132048 412107090 /nfs/dbraw/zinc/10/70/90/412107090.db2.gz WQSPXJZIUKHLIJ-UHFFFAOYSA-N 1 2 226.323 3.763 20 0 BHADLO Cc1cc(-c2ccc(OC3CC3)cc2)cc[nH+]1 ZINC000665157226 412116151 /nfs/dbraw/zinc/11/61/51/412116151.db2.gz SYMHJNRVFWALOM-UHFFFAOYSA-N 1 2 225.291 3.598 20 0 BHADLO CC(C)Sc1ccc(-c2[nH+]ccn2C)cc1 ZINC000665180492 410713305 /nfs/dbraw/zinc/71/33/05/410713305.db2.gz FAOMMLAXDMRDQJ-UHFFFAOYSA-N 1 2 232.352 3.588 20 0 BHADLO CC[C@@H]([NH2+][C@H](C)c1cn[nH]c1C)c1ccccc1 ZINC000666199119 487803252 /nfs/dbraw/zinc/80/32/52/487803252.db2.gz RNBVXOMOIGJJCX-IAQYHMDHSA-N 1 2 243.354 3.520 20 0 BHADLO CC[C@@H]([NH2+][C@@H](C)c1cn[nH]c1C)c1ccccc1 ZINC000666199120 487803028 /nfs/dbraw/zinc/80/30/28/487803028.db2.gz RNBVXOMOIGJJCX-XHDPSFHLSA-N 1 2 243.354 3.520 20 0 BHADLO CC[C@H]([NH2+][C@H](C)c1cn[nH]c1C)c1ccccc1 ZINC000666199254 487810151 /nfs/dbraw/zinc/81/01/51/487810151.db2.gz RNBVXOMOIGJJCX-ABAIWWIYSA-N 1 2 243.354 3.520 20 0 BHADLO CC[C@H]([NH2+][C@@H](C)c1cn[nH]c1C)c1ccccc1 ZINC000666199255 487810309 /nfs/dbraw/zinc/81/03/09/487810309.db2.gz RNBVXOMOIGJJCX-NHYWBVRUSA-N 1 2 243.354 3.520 20 0 BHADLO Cc1cccc2[nH]c(C[N@H+]3CCC=C(F)C3)cc21 ZINC000667952845 488167405 /nfs/dbraw/zinc/16/74/05/488167405.db2.gz IXQHXLYCRPWAAB-UHFFFAOYSA-N 1 2 244.313 3.535 20 0 BHADLO Cc1cccc2[nH]c(C[N@@H+]3CCC=C(F)C3)cc21 ZINC000667952845 488167402 /nfs/dbraw/zinc/16/74/02/488167402.db2.gz IXQHXLYCRPWAAB-UHFFFAOYSA-N 1 2 244.313 3.535 20 0 BHADLO Cc1ccc2cc(C[N@H+]3CCC=C(F)C3)[nH]c2c1 ZINC000667953124 488166852 /nfs/dbraw/zinc/16/68/52/488166852.db2.gz RCUJVHYLVDEBSA-UHFFFAOYSA-N 1 2 244.313 3.535 20 0 BHADLO Cc1ccc2cc(C[N@@H+]3CCC=C(F)C3)[nH]c2c1 ZINC000667953124 488166848 /nfs/dbraw/zinc/16/68/48/488166848.db2.gz RCUJVHYLVDEBSA-UHFFFAOYSA-N 1 2 244.313 3.535 20 0 BHADLO C/C(=C/c1ccccc1)C[NH2+]C(C)(C)C(F)F ZINC000669684944 487647274 /nfs/dbraw/zinc/64/72/74/487647274.db2.gz SCJUICQWEHADDB-LUAWRHEFSA-N 1 2 239.309 3.723 20 0 BHADLO C/C(=C\c1ccccc1)C[NH2+]C(C)(C)C(F)F ZINC000669684945 487647192 /nfs/dbraw/zinc/64/71/92/487647192.db2.gz SCJUICQWEHADDB-PKNBQFBNSA-N 1 2 239.309 3.723 20 0 BHADLO CCCc1ccc(C[NH2+]C2(C(F)F)CC2)cc1 ZINC000669686715 487648459 /nfs/dbraw/zinc/64/84/59/487648459.db2.gz LUEVTDDDIRDSSC-UHFFFAOYSA-N 1 2 239.309 3.526 20 0 BHADLO c1[nH+]c2c(cc1N[C@H]1CCC13CCC3)CCCC2 ZINC000669703768 487701287 /nfs/dbraw/zinc/70/12/87/487701287.db2.gz QEBZMLGPZWJRRW-HNNXBMFYSA-N 1 2 242.366 3.705 20 0 BHADLO c1[nH+]c2c(cc1N[C@@H]1CCC13CCC3)CCCC2 ZINC000669703769 487700835 /nfs/dbraw/zinc/70/08/35/487700835.db2.gz QEBZMLGPZWJRRW-OAHLLOKOSA-N 1 2 242.366 3.705 20 0 BHADLO C[C@@H](Nc1cc[nH+]c(C2CC2)n1)c1ccsc1 ZINC000669827313 487866183 /nfs/dbraw/zinc/86/61/83/487866183.db2.gz HKMITEIDOTXENT-SECBINFHSA-N 1 2 245.351 3.589 20 0 BHADLO C[C@H](Nc1cc[nH+]c(C2CC2)n1)c1ccsc1 ZINC000669827314 487865530 /nfs/dbraw/zinc/86/55/30/487865530.db2.gz HKMITEIDOTXENT-VIFPVBQESA-N 1 2 245.351 3.589 20 0 BHADLO CC(C)([NH2+]Cc1ccc2occc2c1)C(F)F ZINC000671719325 487705737 /nfs/dbraw/zinc/70/57/37/487705737.db2.gz IKNLWYBXTMXNRM-UHFFFAOYSA-N 1 2 239.265 3.566 20 0 BHADLO C[C@H]1CC[C@@H](c2ccccc2)[N@@H+](CC(F)F)C1 ZINC000671722696 487707696 /nfs/dbraw/zinc/70/76/96/487707696.db2.gz LYSZUKGFLKNZQM-AAEUAGOBSA-N 1 2 239.309 3.725 20 0 BHADLO C[C@H]1CC[C@@H](c2ccccc2)[N@H+](CC(F)F)C1 ZINC000671722696 487707691 /nfs/dbraw/zinc/70/76/91/487707691.db2.gz LYSZUKGFLKNZQM-AAEUAGOBSA-N 1 2 239.309 3.725 20 0 BHADLO C[C@@H]1CC[C@H](c2ccccc2)[N@@H+](CC(F)F)C1 ZINC000671722697 487708465 /nfs/dbraw/zinc/70/84/65/487708465.db2.gz LYSZUKGFLKNZQM-DGCLKSJQSA-N 1 2 239.309 3.725 20 0 BHADLO C[C@@H]1CC[C@H](c2ccccc2)[N@H+](CC(F)F)C1 ZINC000671722697 487708461 /nfs/dbraw/zinc/70/84/61/487708461.db2.gz LYSZUKGFLKNZQM-DGCLKSJQSA-N 1 2 239.309 3.725 20 0 BHADLO C[C@H]1CC[C@H](c2ccccc2)[N@@H+](CC(F)F)C1 ZINC000671722698 487708394 /nfs/dbraw/zinc/70/83/94/487708394.db2.gz LYSZUKGFLKNZQM-WCQYABFASA-N 1 2 239.309 3.725 20 0 BHADLO C[C@H]1CC[C@H](c2ccccc2)[N@H+](CC(F)F)C1 ZINC000671722698 487708389 /nfs/dbraw/zinc/70/83/89/487708389.db2.gz LYSZUKGFLKNZQM-WCQYABFASA-N 1 2 239.309 3.725 20 0 BHADLO C[C@@H]1CC[C@@H](c2ccccc2)[N@@H+](CC(F)F)C1 ZINC000671722699 487708227 /nfs/dbraw/zinc/70/82/27/487708227.db2.gz LYSZUKGFLKNZQM-YPMHNXCESA-N 1 2 239.309 3.725 20 0 BHADLO C[C@@H]1CC[C@@H](c2ccccc2)[N@H+](CC(F)F)C1 ZINC000671722699 487708224 /nfs/dbraw/zinc/70/82/24/487708224.db2.gz LYSZUKGFLKNZQM-YPMHNXCESA-N 1 2 239.309 3.725 20 0 BHADLO CC(C)CC[C@H]([NH2+]Cc1cocn1)c1ccoc1 ZINC000671757525 487814004 /nfs/dbraw/zinc/81/40/04/487814004.db2.gz YGBDYIMITXAQPO-AWEZNQCLSA-N 1 2 248.326 3.535 20 0 BHADLO CC(C)CC[C@@H]([NH2+]Cc1cocn1)c1ccoc1 ZINC000671757537 487814219 /nfs/dbraw/zinc/81/42/19/487814219.db2.gz YGBDYIMITXAQPO-CQSZACIVSA-N 1 2 248.326 3.535 20 0 BHADLO c1cc2cc(NCC3CCCCC3)[nH+]cc2[nH]1 ZINC000672140816 487868660 /nfs/dbraw/zinc/86/86/60/487868660.db2.gz YMRYVVGDQBYLED-UHFFFAOYSA-N 1 2 229.327 3.555 20 0 BHADLO Cc1ccc(CNc2cc3cc[nH]c3c[nH+]2)s1 ZINC000672166410 488243280 /nfs/dbraw/zinc/24/32/80/488243280.db2.gz OFXGJXNMGQUMCF-UHFFFAOYSA-N 1 2 243.335 3.545 20 0 BHADLO Cc1ccsc1CNc1cc2cc[nH]c2c[nH+]1 ZINC000672189281 488243703 /nfs/dbraw/zinc/24/37/03/488243703.db2.gz TTYZGWDYUIXGBO-UHFFFAOYSA-N 1 2 243.335 3.545 20 0 BHADLO C(=C\c1ccccc1)\CNc1cc2cc[nH]c2c[nH+]1 ZINC000672216233 488245583 /nfs/dbraw/zinc/24/55/83/488245583.db2.gz RZCHJCVFPVJCDN-DAXSKMNVSA-N 1 2 249.317 3.688 20 0 BHADLO C(=C/c1ccccc1)\CNc1cc2cc[nH]c2c[nH+]1 ZINC000672216234 487674560 /nfs/dbraw/zinc/67/45/60/487674560.db2.gz RZCHJCVFPVJCDN-QPJJXVBHSA-N 1 2 249.317 3.688 20 0 BHADLO C[C@@H](CNc1cc2cc[nH]c2c[nH+]1)C(C)(C)C ZINC000672217053 488245394 /nfs/dbraw/zinc/24/53/94/488245394.db2.gz MUVVKZRBBOQFQJ-JTQLQIEISA-N 1 2 231.343 3.657 20 0 BHADLO C[C@H](CNc1cc2cc[nH]c2c[nH+]1)C(C)(C)C ZINC000672217054 488245480 /nfs/dbraw/zinc/24/54/80/488245480.db2.gz MUVVKZRBBOQFQJ-SNVBAGLBSA-N 1 2 231.343 3.657 20 0 BHADLO Clc1cccc2c(N3CC=CCC3)cc[nH+]c12 ZINC000672248631 488247678 /nfs/dbraw/zinc/24/76/78/488247678.db2.gz AZPKHLOZUKSBSC-UHFFFAOYSA-N 1 2 244.725 3.655 20 0 BHADLO Cc1cc2ccccc2[nH+]c1N1CCC[C@@H]2C[C@@H]21 ZINC000672323753 584948545 /nfs/dbraw/zinc/94/85/45/584948545.db2.gz QCVKUYODIPKUEW-HIFRSBDPSA-N 1 2 238.334 3.532 20 0 BHADLO Cc1cc([C@@H](C)[NH2+][C@@H]2CCCC2(F)F)oc1C ZINC000672621789 488067705 /nfs/dbraw/zinc/06/77/05/488067705.db2.gz JCSLORRFAHOMSP-BXKDBHETSA-N 1 2 243.297 3.735 20 0 BHADLO Cc1cc([C@H](C)[NH2+][C@H]2CCCC2(F)F)oc1C ZINC000672621790 488067574 /nfs/dbraw/zinc/06/75/74/488067574.db2.gz JCSLORRFAHOMSP-CABZTGNLSA-N 1 2 243.297 3.735 20 0 BHADLO Cc1cc([C@H](C)[NH2+][C@@H]2CCCC2(F)F)oc1C ZINC000672621791 488067414 /nfs/dbraw/zinc/06/74/14/488067414.db2.gz JCSLORRFAHOMSP-JOYOIKCWSA-N 1 2 243.297 3.735 20 0 BHADLO Cc1cc([C@@H](C)[NH2+][C@H]2CCCC2(F)F)oc1C ZINC000672621792 488067377 /nfs/dbraw/zinc/06/73/77/488067377.db2.gz JCSLORRFAHOMSP-SKDRFNHKSA-N 1 2 243.297 3.735 20 0 BHADLO CCc1ccc([C@@H](C)[NH2+][C@@H]2CCCC2(F)F)o1 ZINC000672622584 488262191 /nfs/dbraw/zinc/26/21/91/488262191.db2.gz NLOMGWNITXBHIC-BXKDBHETSA-N 1 2 243.297 3.680 20 0 BHADLO CCc1ccc([C@H](C)[NH2+][C@H]2CCCC2(F)F)o1 ZINC000672622585 488262209 /nfs/dbraw/zinc/26/22/09/488262209.db2.gz NLOMGWNITXBHIC-CABZTGNLSA-N 1 2 243.297 3.680 20 0 BHADLO CCc1ccc([C@H](C)[NH2+][C@@H]2CCCC2(F)F)o1 ZINC000672622586 488262477 /nfs/dbraw/zinc/26/24/77/488262477.db2.gz NLOMGWNITXBHIC-JOYOIKCWSA-N 1 2 243.297 3.680 20 0 BHADLO CCc1ccc([C@@H](C)[NH2+][C@H]2CCCC2(F)F)o1 ZINC000672622587 488262360 /nfs/dbraw/zinc/26/23/60/488262360.db2.gz NLOMGWNITXBHIC-SKDRFNHKSA-N 1 2 243.297 3.680 20 0 BHADLO C[C@@H]1CCC[C@H](Nc2cc[nH+]c(C(C)(C)C)n2)C1 ZINC000673709073 488304998 /nfs/dbraw/zinc/30/49/98/488304998.db2.gz DBCUQHSXGMJHGD-NEPJUHHUSA-N 1 2 247.386 3.765 20 0 BHADLO C[C@H]1CCC[C@@H](Nc2cc[nH+]c(C(C)(C)C)n2)C1 ZINC000673709075 488304954 /nfs/dbraw/zinc/30/49/54/488304954.db2.gz DBCUQHSXGMJHGD-NWDGAFQWSA-N 1 2 247.386 3.765 20 0 BHADLO C[C@H]1CCC[C@H](Nc2cc[nH+]c(C(C)(C)C)n2)C1 ZINC000673709076 488305056 /nfs/dbraw/zinc/30/50/56/488305056.db2.gz DBCUQHSXGMJHGD-RYUDHWBXSA-N 1 2 247.386 3.765 20 0 BHADLO C[C@@H]1CCC[C@@H](Nc2cc[nH+]c(C(C)(C)C)n2)C1 ZINC000673709078 488305108 /nfs/dbraw/zinc/30/51/08/488305108.db2.gz DBCUQHSXGMJHGD-VXGBXAGGSA-N 1 2 247.386 3.765 20 0 BHADLO CC(C)(C)c1nc(NCC2CCCCC2)cc[nH+]1 ZINC000673710012 488304985 /nfs/dbraw/zinc/30/49/85/488304985.db2.gz PRGBIAFAUIBCCE-UHFFFAOYSA-N 1 2 247.386 3.766 20 0 BHADLO CC(C)(C)c1nc(NC2CCCCCC2)cc[nH+]1 ZINC000673710115 488304911 /nfs/dbraw/zinc/30/49/11/488304911.db2.gz SZQSSWAIIIHQFO-UHFFFAOYSA-N 1 2 247.386 3.909 20 0 BHADLO C[C@@H]1CCCC[C@@H]1Nc1cc[nH+]c(C(C)(C)C)n1 ZINC000673710121 488305032 /nfs/dbraw/zinc/30/50/32/488305032.db2.gz UGMBYHYJZSHNJP-NEPJUHHUSA-N 1 2 247.386 3.765 20 0 BHADLO C[C@H]1CCCC[C@H]1Nc1cc[nH+]c(C(C)(C)C)n1 ZINC000673710122 488304931 /nfs/dbraw/zinc/30/49/31/488304931.db2.gz UGMBYHYJZSHNJP-NWDGAFQWSA-N 1 2 247.386 3.765 20 0 BHADLO C[C@H]1CCCC[C@@H]1Nc1cc[nH+]c(C(C)(C)C)n1 ZINC000673710123 488305098 /nfs/dbraw/zinc/30/50/98/488305098.db2.gz UGMBYHYJZSHNJP-RYUDHWBXSA-N 1 2 247.386 3.765 20 0 BHADLO C[C@@H]1CCCC[C@H]1Nc1cc[nH+]c(C(C)(C)C)n1 ZINC000673710124 488305103 /nfs/dbraw/zinc/30/51/03/488305103.db2.gz UGMBYHYJZSHNJP-VXGBXAGGSA-N 1 2 247.386 3.765 20 0 BHADLO FC(F)(F)[C@H]([NH2+]CC1CCCCCC1)C1CC1 ZINC000673729617 488305942 /nfs/dbraw/zinc/30/59/42/488305942.db2.gz BRRKOGUXCVQPCS-GFCCVEGCSA-N 1 2 249.320 3.887 20 0 BHADLO FC(F)(F)[C@@H]([NH2+]CC1CCCCCC1)C1CC1 ZINC000673729618 488305938 /nfs/dbraw/zinc/30/59/38/488305938.db2.gz BRRKOGUXCVQPCS-LBPRGKRZSA-N 1 2 249.320 3.887 20 0 BHADLO CC(C)(C)c1nc(NC2(C)CCCC2)cc[nH+]1 ZINC000674064084 487506471 /nfs/dbraw/zinc/50/64/71/487506471.db2.gz QOZKIKUQTWDYIC-UHFFFAOYSA-N 1 2 233.359 3.519 20 0 BHADLO Cc1ccccc1C[NH2+]C1(C(F)F)CCCC1 ZINC000674131992 487665811 /nfs/dbraw/zinc/66/58/11/487665811.db2.gz CMVNKBMRABEJLP-UHFFFAOYSA-N 1 2 239.309 3.663 20 0 BHADLO Cc1ccc(C[NH2+]C2(C(F)F)CCCC2)cc1 ZINC000674132036 487524792 /nfs/dbraw/zinc/52/47/92/487524792.db2.gz JTLQYVJPQKWEPH-UHFFFAOYSA-N 1 2 239.309 3.663 20 0 BHADLO Cc1cccc(C[NH2+]C2(C(F)F)CCCC2)c1 ZINC000674135361 487669177 /nfs/dbraw/zinc/66/91/77/487669177.db2.gz LJCLJLCEDCOIAM-UHFFFAOYSA-N 1 2 239.309 3.663 20 0 BHADLO CCc1ccc(C[NH2+]C2(C(F)F)CCCC2)o1 ZINC000674143894 487526127 /nfs/dbraw/zinc/52/61/27/487526127.db2.gz CJROPVRAQZNPOL-UHFFFAOYSA-N 1 2 243.297 3.510 20 0 BHADLO CC[C@H](Cc1ccccc1)[N@@H+](CC)CC(F)F ZINC000675252690 487684486 /nfs/dbraw/zinc/68/44/86/487684486.db2.gz ZLGOPIOBHTVIHV-CYBMUJFWSA-N 1 2 241.325 3.595 20 0 BHADLO CC[C@H](Cc1ccccc1)[N@H+](CC)CC(F)F ZINC000675252690 487684484 /nfs/dbraw/zinc/68/44/84/487684484.db2.gz ZLGOPIOBHTVIHV-CYBMUJFWSA-N 1 2 241.325 3.595 20 0 BHADLO CC[C@@H](Cc1ccccc1)[N@@H+](CC)CC(F)F ZINC000675252698 487684268 /nfs/dbraw/zinc/68/42/68/487684268.db2.gz ZLGOPIOBHTVIHV-ZDUSSCGKSA-N 1 2 241.325 3.595 20 0 BHADLO CC[C@@H](Cc1ccccc1)[N@H+](CC)CC(F)F ZINC000675252698 487684265 /nfs/dbraw/zinc/68/42/65/487684265.db2.gz ZLGOPIOBHTVIHV-ZDUSSCGKSA-N 1 2 241.325 3.595 20 0 BHADLO CCC(CC)(CC)C(=O)Nc1ccc(C)[nH+]c1C ZINC000675468800 487738250 /nfs/dbraw/zinc/73/82/50/487738250.db2.gz QWDUHIFFIKRDFS-UHFFFAOYSA-N 1 2 248.370 3.853 20 0 BHADLO Cc1ccc(C)c([C@H]2CCC[N@H+]2CC(F)F)c1 ZINC000675551536 487747722 /nfs/dbraw/zinc/74/77/22/487747722.db2.gz ILWACILYNDMERH-CYBMUJFWSA-N 1 2 239.309 3.705 20 0 BHADLO Cc1ccc(C)c([C@H]2CCC[N@@H+]2CC(F)F)c1 ZINC000675551536 487747721 /nfs/dbraw/zinc/74/77/21/487747721.db2.gz ILWACILYNDMERH-CYBMUJFWSA-N 1 2 239.309 3.705 20 0 BHADLO Cc1ccc(C)c([C@@H]2CCC[N@H+]2CC(F)F)c1 ZINC000675551537 487747690 /nfs/dbraw/zinc/74/76/90/487747690.db2.gz ILWACILYNDMERH-ZDUSSCGKSA-N 1 2 239.309 3.705 20 0 BHADLO Cc1ccc(C)c([C@@H]2CCC[N@@H+]2CC(F)F)c1 ZINC000675551537 487747686 /nfs/dbraw/zinc/74/76/86/487747686.db2.gz ILWACILYNDMERH-ZDUSSCGKSA-N 1 2 239.309 3.705 20 0 BHADLO CC(C)[C@H]1c2ccccc2CC[N@@H+]1CC(F)F ZINC000675642609 487758407 /nfs/dbraw/zinc/75/84/07/487758407.db2.gz ILDHTOGFPNXTSM-AWEZNQCLSA-N 1 2 239.309 3.507 20 0 BHADLO CC(C)[C@H]1c2ccccc2CC[N@H+]1CC(F)F ZINC000675642609 487758403 /nfs/dbraw/zinc/75/84/03/487758403.db2.gz ILDHTOGFPNXTSM-AWEZNQCLSA-N 1 2 239.309 3.507 20 0 BHADLO CC(C)[C@@H]1c2ccccc2CC[N@@H+]1CC(F)F ZINC000675642618 487758380 /nfs/dbraw/zinc/75/83/80/487758380.db2.gz ILDHTOGFPNXTSM-CQSZACIVSA-N 1 2 239.309 3.507 20 0 BHADLO CC(C)[C@@H]1c2ccccc2CC[N@H+]1CC(F)F ZINC000675642618 487758377 /nfs/dbraw/zinc/75/83/77/487758377.db2.gz ILDHTOGFPNXTSM-CQSZACIVSA-N 1 2 239.309 3.507 20 0 BHADLO C/C(=C\c1ccccc1)CNc1ccc(C)[nH+]c1 ZINC000676239342 487826829 /nfs/dbraw/zinc/82/68/29/487826829.db2.gz VBTGIUBQWFWDGB-JLHYYAGUSA-N 1 2 238.334 3.905 20 0 BHADLO C/C(=C/c1ccccc1)CNc1ccc(C)[nH+]c1 ZINC000676239343 487827220 /nfs/dbraw/zinc/82/72/20/487827220.db2.gz VBTGIUBQWFWDGB-RAXLEYEMSA-N 1 2 238.334 3.905 20 0 BHADLO Cc1ccc(C)c(C[N@H+]2CCC[C@H]2C(F)F)c1 ZINC000677737966 488115202 /nfs/dbraw/zinc/11/52/02/488115202.db2.gz SREWDGNBPDKZFI-ZDUSSCGKSA-N 1 2 239.309 3.533 20 0 BHADLO Cc1ccc(C)c(C[N@@H+]2CCC[C@H]2C(F)F)c1 ZINC000677737966 488115199 /nfs/dbraw/zinc/11/51/99/488115199.db2.gz SREWDGNBPDKZFI-ZDUSSCGKSA-N 1 2 239.309 3.533 20 0 BHADLO Cc1cc(C)cc(C[N@H+]2CCC[C@H]2C(F)F)c1 ZINC000677738486 488116981 /nfs/dbraw/zinc/11/69/81/488116981.db2.gz HPXDBYZTFCIFRZ-ZDUSSCGKSA-N 1 2 239.309 3.533 20 0 BHADLO Cc1cc(C)cc(C[N@@H+]2CCC[C@H]2C(F)F)c1 ZINC000677738486 488116974 /nfs/dbraw/zinc/11/69/74/488116974.db2.gz HPXDBYZTFCIFRZ-ZDUSSCGKSA-N 1 2 239.309 3.533 20 0 BHADLO C[N@@H+](Cc1ccco1)Cc1cscc1Cl ZINC000678123759 488200252 /nfs/dbraw/zinc/20/02/52/488200252.db2.gz JHCWRFHFUZUDGB-UHFFFAOYSA-N 1 2 241.743 3.627 20 0 BHADLO C[N@H+](Cc1ccco1)Cc1cscc1Cl ZINC000678123759 488200248 /nfs/dbraw/zinc/20/02/48/488200248.db2.gz JHCWRFHFUZUDGB-UHFFFAOYSA-N 1 2 241.743 3.627 20 0 BHADLO C[N@@H+](Cc1ccoc1)Cc1cscc1Cl ZINC000678210165 488216600 /nfs/dbraw/zinc/21/66/00/488216600.db2.gz HEXIHLOMWUCXLR-UHFFFAOYSA-N 1 2 241.743 3.627 20 0 BHADLO C[N@H+](Cc1ccoc1)Cc1cscc1Cl ZINC000678210165 488216596 /nfs/dbraw/zinc/21/65/96/488216596.db2.gz HEXIHLOMWUCXLR-UHFFFAOYSA-N 1 2 241.743 3.627 20 0 BHADLO Clc1cscc1C[NH+]1Cc2ccccc2C1 ZINC000678241390 488225697 /nfs/dbraw/zinc/22/56/97/488225697.db2.gz TTZZPSUDKXAMGS-UHFFFAOYSA-N 1 2 249.766 3.917 20 0 BHADLO CCC[C@H](C)Nc1[nH+]ccc2ccc(F)cc21 ZINC000678310251 488240003 /nfs/dbraw/zinc/24/00/03/488240003.db2.gz CDUQWQOXLLUJMV-JTQLQIEISA-N 1 2 232.302 3.974 20 0 BHADLO CCC[C@@H](C)Nc1[nH+]ccc2ccc(F)cc21 ZINC000678310252 488239784 /nfs/dbraw/zinc/23/97/84/488239784.db2.gz CDUQWQOXLLUJMV-SNVBAGLBSA-N 1 2 232.302 3.974 20 0 BHADLO C[C@@H](CNc1[nH+]ccc2ccc(F)cc21)C1CC1 ZINC000678310976 488239717 /nfs/dbraw/zinc/23/97/17/488239717.db2.gz PNWBUYLEPKXYES-JTQLQIEISA-N 1 2 244.313 3.832 20 0 BHADLO C[C@H](CNc1[nH+]ccc2ccc(F)cc21)C1CC1 ZINC000678310977 488239803 /nfs/dbraw/zinc/23/98/03/488239803.db2.gz PNWBUYLEPKXYES-SNVBAGLBSA-N 1 2 244.313 3.832 20 0 BHADLO Fc1ccc2cc[nH+]c(NC3CC=CC3)c2c1 ZINC000678311883 488240000 /nfs/dbraw/zinc/24/00/00/488240000.db2.gz CLYPEELTUQYSDB-UHFFFAOYSA-N 1 2 228.270 3.504 20 0 BHADLO C[C@H](Nc1[nH+]ccc2ccc(F)cc21)C1CCC1 ZINC000678312809 488239994 /nfs/dbraw/zinc/23/99/94/488239994.db2.gz LIIZMYAIXYJPLN-JTQLQIEISA-N 1 2 244.313 3.974 20 0 BHADLO C[C@@H](Nc1[nH+]ccc2ccc(F)cc21)C1CCC1 ZINC000678312812 488239756 /nfs/dbraw/zinc/23/97/56/488239756.db2.gz LIIZMYAIXYJPLN-SNVBAGLBSA-N 1 2 244.313 3.974 20 0 BHADLO FC1(F)C[N@H+](C2CCCC2)Cc2ccccc21 ZINC000678338396 488242818 /nfs/dbraw/zinc/24/28/18/488242818.db2.gz BZXJGNZZQSJYNU-UHFFFAOYSA-N 1 2 237.293 3.537 20 0 BHADLO FC1(F)C[N@@H+](C2CCCC2)Cc2ccccc21 ZINC000678338396 488242816 /nfs/dbraw/zinc/24/28/16/488242816.db2.gz BZXJGNZZQSJYNU-UHFFFAOYSA-N 1 2 237.293 3.537 20 0 BHADLO CC(C)[N@@H+](CC(F)F)[C@H](C)c1ccccc1 ZINC000678349628 488245059 /nfs/dbraw/zinc/24/50/59/488245059.db2.gz XYXIRWYBMNZOQV-LLVKDONJSA-N 1 2 227.298 3.723 20 0 BHADLO CC(C)[N@H+](CC(F)F)[C@H](C)c1ccccc1 ZINC000678349628 488245058 /nfs/dbraw/zinc/24/50/58/488245058.db2.gz XYXIRWYBMNZOQV-LLVKDONJSA-N 1 2 227.298 3.723 20 0 BHADLO CC(C)[N@@H+](CC(F)F)[C@@H](C)c1ccccc1 ZINC000678349629 488244891 /nfs/dbraw/zinc/24/48/91/488244891.db2.gz XYXIRWYBMNZOQV-NSHDSACASA-N 1 2 227.298 3.723 20 0 BHADLO CC(C)[N@H+](CC(F)F)[C@@H](C)c1ccccc1 ZINC000678349629 488244888 /nfs/dbraw/zinc/24/48/88/488244888.db2.gz XYXIRWYBMNZOQV-NSHDSACASA-N 1 2 227.298 3.723 20 0 BHADLO Cc1ccccc1[C@@H](CC(C)C)[NH2+]CC(F)F ZINC000678774130 488281661 /nfs/dbraw/zinc/28/16/61/488281661.db2.gz XPRRTADNGFVFNB-CYBMUJFWSA-N 1 2 241.325 3.937 20 0 BHADLO Cc1ccccc1[C@H](CC(C)C)[NH2+]CC(F)F ZINC000678774131 488282076 /nfs/dbraw/zinc/28/20/76/488282076.db2.gz XPRRTADNGFVFNB-ZDUSSCGKSA-N 1 2 241.325 3.937 20 0 BHADLO Cc1ccccc1[C@@H]([NH2+]CC(F)F)C(C)(C)C ZINC000678786042 488282954 /nfs/dbraw/zinc/28/29/54/488282954.db2.gz XDKWMRDZWWGEBC-CYBMUJFWSA-N 1 2 241.325 3.937 20 0 BHADLO Cc1ccccc1[C@H]([NH2+]CC(F)F)C(C)(C)C ZINC000678786043 488282959 /nfs/dbraw/zinc/28/29/59/488282959.db2.gz XDKWMRDZWWGEBC-ZDUSSCGKSA-N 1 2 241.325 3.937 20 0 BHADLO Fc1c[nH+]ccc1N1CCC[C@H]1c1ccccc1 ZINC000678788271 488283200 /nfs/dbraw/zinc/28/32/00/488283200.db2.gz HIKOONNZYFTCIW-AWEZNQCLSA-N 1 2 242.297 3.562 20 0 BHADLO Fc1c[nH+]ccc1N1CCC[C@@H]1c1ccccc1 ZINC000678788272 488283500 /nfs/dbraw/zinc/28/35/00/488283500.db2.gz HIKOONNZYFTCIW-CQSZACIVSA-N 1 2 242.297 3.562 20 0 BHADLO Cc1cccc([C@@H]([NH2+]CC(F)F)C(C)(C)C)c1 ZINC000678791636 488284069 /nfs/dbraw/zinc/28/40/69/488284069.db2.gz VFKNEJNSIVKIRL-CYBMUJFWSA-N 1 2 241.325 3.937 20 0 BHADLO Cc1cccc([C@H]([NH2+]CC(F)F)C(C)(C)C)c1 ZINC000678791637 488284045 /nfs/dbraw/zinc/28/40/45/488284045.db2.gz VFKNEJNSIVKIRL-ZDUSSCGKSA-N 1 2 241.325 3.937 20 0 BHADLO CC(C)(C)CNc1ccc(N2CCCCC2)c[nH+]1 ZINC000678903876 488295171 /nfs/dbraw/zinc/29/51/71/488295171.db2.gz CONYGOGMMRBFOB-UHFFFAOYSA-N 1 2 247.386 3.530 20 0 BHADLO COc1ccc(N[C@@H](C)c2sccc2C)[nH+]c1 ZINC000679068625 488305490 /nfs/dbraw/zinc/30/54/90/488305490.db2.gz KLTRIOBIZPRZFN-JTQLQIEISA-N 1 2 248.351 3.633 20 0 BHADLO COc1ccc(N[C@H](C)c2sccc2C)[nH+]c1 ZINC000679068626 488305534 /nfs/dbraw/zinc/30/55/34/488305534.db2.gz KLTRIOBIZPRZFN-SNVBAGLBSA-N 1 2 248.351 3.633 20 0 BHADLO COc1ccc(N[C@H](C)c2cccc(C)c2)[nH+]c1 ZINC000679068659 488305355 /nfs/dbraw/zinc/30/53/55/488305355.db2.gz LKQFDFGIHRZXTN-GFCCVEGCSA-N 1 2 242.322 3.572 20 0 BHADLO COc1ccc(N[C@@H](C)c2cccc(C)c2)[nH+]c1 ZINC000679068660 488305440 /nfs/dbraw/zinc/30/54/40/488305440.db2.gz LKQFDFGIHRZXTN-LBPRGKRZSA-N 1 2 242.322 3.572 20 0 BHADLO COc1ccc(N[C@H](C)CCC=C(C)C)[nH+]c1 ZINC000679068832 488305484 /nfs/dbraw/zinc/30/54/84/488305484.db2.gz QOTRTCHLENURDN-GFCCVEGCSA-N 1 2 234.343 3.637 20 0 BHADLO COc1ccc(N[C@@H](C)CCC=C(C)C)[nH+]c1 ZINC000679068833 488305541 /nfs/dbraw/zinc/30/55/41/488305541.db2.gz QOTRTCHLENURDN-LBPRGKRZSA-N 1 2 234.343 3.637 20 0 BHADLO Cc1ccc(N[C@H](C)c2ccc(C)[nH+]c2C)cn1 ZINC000679072152 488305997 /nfs/dbraw/zinc/30/59/97/488305997.db2.gz VEXIZAIOQFGKSC-CYBMUJFWSA-N 1 2 241.338 3.575 20 0 BHADLO Cc1ccc(N[C@@H](C)c2ccc(C)[nH+]c2C)cn1 ZINC000679072153 488305875 /nfs/dbraw/zinc/30/58/75/488305875.db2.gz VEXIZAIOQFGKSC-ZDUSSCGKSA-N 1 2 241.338 3.575 20 0 BHADLO C[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2)C[C@@H]1F ZINC000679221172 488319464 /nfs/dbraw/zinc/31/94/64/488319464.db2.gz KETGNQLORBXUSX-GWCFXTLKSA-N 1 2 241.737 3.520 20 0 BHADLO C[C@H]1CC[N@H+](Cc2ccc(Cl)cc2)C[C@@H]1F ZINC000679221172 488319463 /nfs/dbraw/zinc/31/94/63/488319463.db2.gz KETGNQLORBXUSX-GWCFXTLKSA-N 1 2 241.737 3.520 20 0 BHADLO C[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2)C[C@H]1F ZINC000679221173 488319423 /nfs/dbraw/zinc/31/94/23/488319423.db2.gz KETGNQLORBXUSX-GXFFZTMASA-N 1 2 241.737 3.520 20 0 BHADLO C[C@H]1CC[N@H+](Cc2ccc(Cl)cc2)C[C@H]1F ZINC000679221173 488319422 /nfs/dbraw/zinc/31/94/22/488319422.db2.gz KETGNQLORBXUSX-GXFFZTMASA-N 1 2 241.737 3.520 20 0 BHADLO C[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2)C[C@@H]1F ZINC000679221174 488319296 /nfs/dbraw/zinc/31/92/96/488319296.db2.gz KETGNQLORBXUSX-MFKMUULPSA-N 1 2 241.737 3.520 20 0 BHADLO C[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2)C[C@@H]1F ZINC000679221174 488319295 /nfs/dbraw/zinc/31/92/95/488319295.db2.gz KETGNQLORBXUSX-MFKMUULPSA-N 1 2 241.737 3.520 20 0 BHADLO C[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2)C[C@H]1F ZINC000679221175 488319352 /nfs/dbraw/zinc/31/93/52/488319352.db2.gz KETGNQLORBXUSX-ZWNOBZJWSA-N 1 2 241.737 3.520 20 0 BHADLO C[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2)C[C@H]1F ZINC000679221175 488319350 /nfs/dbraw/zinc/31/93/50/488319350.db2.gz KETGNQLORBXUSX-ZWNOBZJWSA-N 1 2 241.737 3.520 20 0 BHADLO C[C@@H]1CC[N@@H+](Cc2ccc(Cl)s2)C[C@H]1F ZINC000679222943 488320666 /nfs/dbraw/zinc/32/06/66/488320666.db2.gz KKZPLUKTHSFALL-PSASIEDQSA-N 1 2 247.766 3.581 20 0 BHADLO C[C@@H]1CC[N@H+](Cc2ccc(Cl)s2)C[C@H]1F ZINC000679222943 488320664 /nfs/dbraw/zinc/32/06/64/488320664.db2.gz KKZPLUKTHSFALL-PSASIEDQSA-N 1 2 247.766 3.581 20 0 BHADLO C[C@@H]1CC[N@@H+](Cc2ccc(Cl)s2)C[C@@H]1F ZINC000679222944 488320519 /nfs/dbraw/zinc/32/05/19/488320519.db2.gz KKZPLUKTHSFALL-SCZZXKLOSA-N 1 2 247.766 3.581 20 0 BHADLO C[C@@H]1CC[N@H+](Cc2ccc(Cl)s2)C[C@@H]1F ZINC000679222944 488320517 /nfs/dbraw/zinc/32/05/17/488320517.db2.gz KKZPLUKTHSFALL-SCZZXKLOSA-N 1 2 247.766 3.581 20 0 BHADLO C[C@H]1CC[N@@H+](Cc2ccc(Cl)s2)C[C@H]1F ZINC000679222945 488320582 /nfs/dbraw/zinc/32/05/82/488320582.db2.gz KKZPLUKTHSFALL-WCBMZHEXSA-N 1 2 247.766 3.581 20 0 BHADLO C[C@H]1CC[N@H+](Cc2ccc(Cl)s2)C[C@H]1F ZINC000679222945 488320581 /nfs/dbraw/zinc/32/05/81/488320581.db2.gz KKZPLUKTHSFALL-WCBMZHEXSA-N 1 2 247.766 3.581 20 0 BHADLO C[C@H]1CC[N@@H+](Cc2ccc(Cl)s2)C[C@@H]1F ZINC000679222946 488320262 /nfs/dbraw/zinc/32/02/62/488320262.db2.gz KKZPLUKTHSFALL-WPRPVWTQSA-N 1 2 247.766 3.581 20 0 BHADLO C[C@H]1CC[N@H+](Cc2ccc(Cl)s2)C[C@@H]1F ZINC000679222946 488320261 /nfs/dbraw/zinc/32/02/61/488320261.db2.gz KKZPLUKTHSFALL-WPRPVWTQSA-N 1 2 247.766 3.581 20 0 BHADLO Clc1cccc(Cl)c1C[N@@H+]1CC=CCC1 ZINC000679322266 487901176 /nfs/dbraw/zinc/90/11/76/487901176.db2.gz YCBWZTYOKHRMQI-UHFFFAOYSA-N 1 2 242.149 3.755 20 0 BHADLO Clc1cccc(Cl)c1C[N@H+]1CC=CCC1 ZINC000679322266 487901172 /nfs/dbraw/zinc/90/11/72/487901172.db2.gz YCBWZTYOKHRMQI-UHFFFAOYSA-N 1 2 242.149 3.755 20 0 BHADLO c1sc(C2CCCC2)nc1C[N@@H+]1CC=CCC1 ZINC000679323533 488336965 /nfs/dbraw/zinc/33/69/65/488336965.db2.gz ZQHFDGXZPBAMRJ-UHFFFAOYSA-N 1 2 248.395 3.563 20 0 BHADLO c1sc(C2CCCC2)nc1C[N@H+]1CC=CCC1 ZINC000679323533 488336964 /nfs/dbraw/zinc/33/69/64/488336964.db2.gz ZQHFDGXZPBAMRJ-UHFFFAOYSA-N 1 2 248.395 3.563 20 0 BHADLO Clc1cccc(C[N@@H+]2CC=CCC2)c1Cl ZINC000679357491 488344418 /nfs/dbraw/zinc/34/44/18/488344418.db2.gz VBGHKJMAAAQDOB-UHFFFAOYSA-N 1 2 242.149 3.755 20 0 BHADLO Clc1cccc(C[N@H+]2CC=CCC2)c1Cl ZINC000679357491 488344416 /nfs/dbraw/zinc/34/44/16/488344416.db2.gz VBGHKJMAAAQDOB-UHFFFAOYSA-N 1 2 242.149 3.755 20 0 BHADLO C[C@H]1CC[N@@H+](Cc2cscc2Cl)C[C@H]1F ZINC000679358510 487936453 /nfs/dbraw/zinc/93/64/53/487936453.db2.gz JYLRBEZJXDBXHH-GZMMTYOYSA-N 1 2 247.766 3.581 20 0 BHADLO C[C@H]1CC[N@H+](Cc2cscc2Cl)C[C@H]1F ZINC000679358510 487936449 /nfs/dbraw/zinc/93/64/49/487936449.db2.gz JYLRBEZJXDBXHH-GZMMTYOYSA-N 1 2 247.766 3.581 20 0 BHADLO C[C@@H]1CC[N@@H+](Cc2cscc2Cl)C[C@@H]1F ZINC000679358513 487936391 /nfs/dbraw/zinc/93/63/91/487936391.db2.gz JYLRBEZJXDBXHH-KCJUWKMLSA-N 1 2 247.766 3.581 20 0 BHADLO C[C@@H]1CC[N@H+](Cc2cscc2Cl)C[C@@H]1F ZINC000679358513 487936389 /nfs/dbraw/zinc/93/63/89/487936389.db2.gz JYLRBEZJXDBXHH-KCJUWKMLSA-N 1 2 247.766 3.581 20 0 BHADLO C[C@H]1CC[N@@H+](Cc2cscc2Cl)C[C@@H]1F ZINC000679358515 487936408 /nfs/dbraw/zinc/93/64/08/487936408.db2.gz JYLRBEZJXDBXHH-KWQFWETISA-N 1 2 247.766 3.581 20 0 BHADLO C[C@H]1CC[N@H+](Cc2cscc2Cl)C[C@@H]1F ZINC000679358515 487936402 /nfs/dbraw/zinc/93/64/02/487936402.db2.gz JYLRBEZJXDBXHH-KWQFWETISA-N 1 2 247.766 3.581 20 0 BHADLO C[C@@H]1CC[N@@H+](Cc2cscc2Cl)C[C@H]1F ZINC000679358518 487936760 /nfs/dbraw/zinc/93/67/60/487936760.db2.gz JYLRBEZJXDBXHH-LDYMZIIASA-N 1 2 247.766 3.581 20 0 BHADLO C[C@@H]1CC[N@H+](Cc2cscc2Cl)C[C@H]1F ZINC000679358518 487936757 /nfs/dbraw/zinc/93/67/57/487936757.db2.gz JYLRBEZJXDBXHH-LDYMZIIASA-N 1 2 247.766 3.581 20 0 BHADLO CC[C@H](Nc1c[nH+]c2c(c1)CCCC2)C1CC1 ZINC000679904387 487483957 /nfs/dbraw/zinc/48/39/57/487483957.db2.gz AHMKHDJXQRAHQP-AWEZNQCLSA-N 1 2 230.355 3.561 20 0 BHADLO CC[C@@H](Nc1c[nH+]c2c(c1)CCCC2)C1CC1 ZINC000679904388 487484409 /nfs/dbraw/zinc/48/44/09/487484409.db2.gz AHMKHDJXQRAHQP-CQSZACIVSA-N 1 2 230.355 3.561 20 0 BHADLO CC[N@@H+](CC(F)F)CC(C)(C)c1ccccc1 ZINC000680482362 487603908 /nfs/dbraw/zinc/60/39/08/487603908.db2.gz KSFHHCBIJPZXSI-UHFFFAOYSA-N 1 2 241.325 3.551 20 0 BHADLO CC[N@H+](CC(F)F)CC(C)(C)c1ccccc1 ZINC000680482362 487603904 /nfs/dbraw/zinc/60/39/04/487603904.db2.gz KSFHHCBIJPZXSI-UHFFFAOYSA-N 1 2 241.325 3.551 20 0 BHADLO CC[N@H+](Cc1ccccc1C1CC1)CC(F)F ZINC000680482531 487605626 /nfs/dbraw/zinc/60/56/26/487605626.db2.gz OTNPUFNKCQLZCY-UHFFFAOYSA-N 1 2 239.309 3.651 20 0 BHADLO CC[N@@H+](Cc1ccccc1C1CC1)CC(F)F ZINC000680482531 487605623 /nfs/dbraw/zinc/60/56/23/487605623.db2.gz OTNPUFNKCQLZCY-UHFFFAOYSA-N 1 2 239.309 3.651 20 0 BHADLO Cc1cc[nH+]cc1NCc1nccc2ccccc21 ZINC000680537472 487613097 /nfs/dbraw/zinc/61/30/97/487613097.db2.gz UGDYYRIIIPNSRU-UHFFFAOYSA-N 1 2 249.317 3.550 20 0 BHADLO Cc1cc(Nc2ccc(C3CC3)cc2)nc(C)[nH+]1 ZINC000681988723 487875705 /nfs/dbraw/zinc/87/57/05/487875705.db2.gz DSVJQLYKCNIKDQ-UHFFFAOYSA-N 1 2 239.322 3.714 20 0 BHADLO C[C@H](Nc1cccc[nH+]1)C1CCC(F)(F)CC1 ZINC000682731837 488027217 /nfs/dbraw/zinc/02/72/17/488027217.db2.gz BVUGWVRFLPZORD-JTQLQIEISA-N 1 2 240.297 3.708 20 0 BHADLO C[C@@H](Nc1cccc[nH+]1)C1CCC(F)(F)CC1 ZINC000682731838 488027465 /nfs/dbraw/zinc/02/74/65/488027465.db2.gz BVUGWVRFLPZORD-SNVBAGLBSA-N 1 2 240.297 3.708 20 0 BHADLO Cc1cc(-n2cccn2)ccc1[NH2+][C@H](C)C(C)C ZINC000682734737 488028268 /nfs/dbraw/zinc/02/82/68/488028268.db2.gz KWKQZMCQMPJIAE-CYBMUJFWSA-N 1 2 243.354 3.637 20 0 BHADLO Cc1cc(-n2cccn2)ccc1[NH2+][C@@H](C)C(C)C ZINC000682734738 488028393 /nfs/dbraw/zinc/02/83/93/488028393.db2.gz KWKQZMCQMPJIAE-ZDUSSCGKSA-N 1 2 243.354 3.637 20 0 BHADLO CC(C)=CCCNc1cc[nH+]c(C(C)(C)C)n1 ZINC000682921566 488064821 /nfs/dbraw/zinc/06/48/21/488064821.db2.gz UUIPHNOIEDWPHQ-UHFFFAOYSA-N 1 2 233.359 3.542 20 0 BHADLO C[C@@H]1CC[N@@H+](Cc2ccsc2Cl)C[C@H]1F ZINC000682997251 488082268 /nfs/dbraw/zinc/08/22/68/488082268.db2.gz IOSKOSREBMHDKI-PSASIEDQSA-N 1 2 247.766 3.581 20 0 BHADLO C[C@@H]1CC[N@H+](Cc2ccsc2Cl)C[C@H]1F ZINC000682997251 488082265 /nfs/dbraw/zinc/08/22/65/488082265.db2.gz IOSKOSREBMHDKI-PSASIEDQSA-N 1 2 247.766 3.581 20 0 BHADLO C[C@@H]1CC[N@@H+](Cc2ccsc2Cl)C[C@@H]1F ZINC000682997254 488082030 /nfs/dbraw/zinc/08/20/30/488082030.db2.gz IOSKOSREBMHDKI-SCZZXKLOSA-N 1 2 247.766 3.581 20 0 BHADLO C[C@@H]1CC[N@H+](Cc2ccsc2Cl)C[C@@H]1F ZINC000682997254 488082028 /nfs/dbraw/zinc/08/20/28/488082028.db2.gz IOSKOSREBMHDKI-SCZZXKLOSA-N 1 2 247.766 3.581 20 0 BHADLO C[C@H]1CC[N@@H+](Cc2ccsc2Cl)C[C@H]1F ZINC000682997256 488082219 /nfs/dbraw/zinc/08/22/19/488082219.db2.gz IOSKOSREBMHDKI-WCBMZHEXSA-N 1 2 247.766 3.581 20 0 BHADLO C[C@H]1CC[N@H+](Cc2ccsc2Cl)C[C@H]1F ZINC000682997256 488082215 /nfs/dbraw/zinc/08/22/15/488082215.db2.gz IOSKOSREBMHDKI-WCBMZHEXSA-N 1 2 247.766 3.581 20 0 BHADLO C[C@H]1CC[N@@H+](Cc2ccsc2Cl)C[C@@H]1F ZINC000682997257 488081306 /nfs/dbraw/zinc/08/13/06/488081306.db2.gz IOSKOSREBMHDKI-WPRPVWTQSA-N 1 2 247.766 3.581 20 0 BHADLO C[C@H]1CC[N@H+](Cc2ccsc2Cl)C[C@@H]1F ZINC000682997257 488081304 /nfs/dbraw/zinc/08/13/04/488081304.db2.gz IOSKOSREBMHDKI-WPRPVWTQSA-N 1 2 247.766 3.581 20 0 BHADLO CC(C)(C)c1nc(N[C@@H]2CC23CCCC3)cc[nH+]1 ZINC000683196377 488128662 /nfs/dbraw/zinc/12/86/62/488128662.db2.gz OKUMEQDPCQZKMK-LLVKDONJSA-N 1 2 245.370 3.519 20 0 BHADLO CC(C)(C)c1nc(N[C@H]2CC23CCCC3)cc[nH+]1 ZINC000683196379 488128693 /nfs/dbraw/zinc/12/86/93/488128693.db2.gz OKUMEQDPCQZKMK-NSHDSACASA-N 1 2 245.370 3.519 20 0 BHADLO Cc1ccc(C[N@H+]2CCC[C@H]2C(F)F)cc1C ZINC000683221517 488130649 /nfs/dbraw/zinc/13/06/49/488130649.db2.gz QZHDKGFKAOWEHD-ZDUSSCGKSA-N 1 2 239.309 3.533 20 0 BHADLO Cc1ccc(C[N@@H+]2CCC[C@H]2C(F)F)cc1C ZINC000683221517 488130644 /nfs/dbraw/zinc/13/06/44/488130644.db2.gz QZHDKGFKAOWEHD-ZDUSSCGKSA-N 1 2 239.309 3.533 20 0 BHADLO Clc1scc(C[N@@H+]2CC=CCC2)c1Cl ZINC000683353953 488151562 /nfs/dbraw/zinc/15/15/62/488151562.db2.gz COWKLGIPCRIBEV-UHFFFAOYSA-N 1 2 248.178 3.817 20 0 BHADLO Clc1scc(C[N@H+]2CC=CCC2)c1Cl ZINC000683353953 488151558 /nfs/dbraw/zinc/15/15/58/488151558.db2.gz COWKLGIPCRIBEV-UHFFFAOYSA-N 1 2 248.178 3.817 20 0 BHADLO FC(F)(F)c1ccc(C[N@@H+]2CC=CCC2)s1 ZINC000683354281 488152830 /nfs/dbraw/zinc/15/28/30/488152830.db2.gz MECLUTZBRZHXQW-UHFFFAOYSA-N 1 2 247.285 3.529 20 0 BHADLO FC(F)(F)c1ccc(C[N@H+]2CC=CCC2)s1 ZINC000683354281 488152827 /nfs/dbraw/zinc/15/28/27/488152827.db2.gz MECLUTZBRZHXQW-UHFFFAOYSA-N 1 2 247.285 3.529 20 0 BHADLO Cc1ccc(C[N@@H+](C)Cc2ccc[nH]2)c(Cl)c1 ZINC000683667661 488206116 /nfs/dbraw/zinc/20/61/16/488206116.db2.gz YLXVIQGZXDZGBL-UHFFFAOYSA-N 1 2 248.757 3.609 20 0 BHADLO Cc1ccc(C[N@H+](C)Cc2ccc[nH]2)c(Cl)c1 ZINC000683667661 488206115 /nfs/dbraw/zinc/20/61/15/488206115.db2.gz YLXVIQGZXDZGBL-UHFFFAOYSA-N 1 2 248.757 3.609 20 0 BHADLO C[C@@H]1CC[N@@H+](Cc2sccc2Cl)C[C@H]1F ZINC000683835814 488230312 /nfs/dbraw/zinc/23/03/12/488230312.db2.gz YGFWDFPRJOIPEP-PSASIEDQSA-N 1 2 247.766 3.581 20 0 BHADLO C[C@@H]1CC[N@H+](Cc2sccc2Cl)C[C@H]1F ZINC000683835814 488230310 /nfs/dbraw/zinc/23/03/10/488230310.db2.gz YGFWDFPRJOIPEP-PSASIEDQSA-N 1 2 247.766 3.581 20 0 BHADLO C[C@@H]1CC[N@@H+](Cc2sccc2Cl)C[C@@H]1F ZINC000683835815 488230210 /nfs/dbraw/zinc/23/02/10/488230210.db2.gz YGFWDFPRJOIPEP-SCZZXKLOSA-N 1 2 247.766 3.581 20 0 BHADLO C[C@@H]1CC[N@H+](Cc2sccc2Cl)C[C@@H]1F ZINC000683835815 488230208 /nfs/dbraw/zinc/23/02/08/488230208.db2.gz YGFWDFPRJOIPEP-SCZZXKLOSA-N 1 2 247.766 3.581 20 0 BHADLO C[C@H]1CC[N@@H+](Cc2sccc2Cl)C[C@H]1F ZINC000683835816 488230517 /nfs/dbraw/zinc/23/05/17/488230517.db2.gz YGFWDFPRJOIPEP-WCBMZHEXSA-N 1 2 247.766 3.581 20 0 BHADLO C[C@H]1CC[N@H+](Cc2sccc2Cl)C[C@H]1F ZINC000683835816 488230514 /nfs/dbraw/zinc/23/05/14/488230514.db2.gz YGFWDFPRJOIPEP-WCBMZHEXSA-N 1 2 247.766 3.581 20 0 BHADLO C[C@H]1CC[N@@H+](Cc2sccc2Cl)C[C@@H]1F ZINC000683835817 488230382 /nfs/dbraw/zinc/23/03/82/488230382.db2.gz YGFWDFPRJOIPEP-WPRPVWTQSA-N 1 2 247.766 3.581 20 0 BHADLO C[C@H]1CC[N@H+](Cc2sccc2Cl)C[C@@H]1F ZINC000683835817 488230380 /nfs/dbraw/zinc/23/03/80/488230380.db2.gz YGFWDFPRJOIPEP-WPRPVWTQSA-N 1 2 247.766 3.581 20 0 BHADLO CC(C)c1cc(N2CC(C)(C)C2)nc(C(C)C)[nH+]1 ZINC000683939229 488248282 /nfs/dbraw/zinc/24/82/82/488248282.db2.gz LGXIESQUOKLARH-UHFFFAOYSA-N 1 2 247.386 3.570 20 0 BHADLO CC(C)([NH2+]Cc1ccc2ccccc2c1)C(F)F ZINC000684413275 488309087 /nfs/dbraw/zinc/30/90/87/488309087.db2.gz CSUOOACJIZPMOR-UHFFFAOYSA-N 1 2 249.304 3.973 20 0 BHADLO Cc1cc(C)c(C[NH2+]C(C)(C)C(F)F)cc1C ZINC000684413533 488309005 /nfs/dbraw/zinc/30/90/05/488309005.db2.gz NJJXHTCVJCTWLZ-UHFFFAOYSA-N 1 2 241.325 3.745 20 0 BHADLO CC(C)c1ccc(C[NH2+]C(C)(C)C(F)F)cc1 ZINC000684413625 488309506 /nfs/dbraw/zinc/30/95/06/488309506.db2.gz SCEPKPYCCYVSGA-UHFFFAOYSA-N 1 2 241.325 3.943 20 0 BHADLO CC(C)([NH2+]Cc1ccccc1C1CC1)C(F)F ZINC000684413713 488309727 /nfs/dbraw/zinc/30/97/27/488309727.db2.gz XHYKMJWLSODUKG-UHFFFAOYSA-N 1 2 239.309 3.697 20 0 BHADLO CC(C)([NH2+]Cc1cc2ccccc2o1)C(F)F ZINC000684413784 488309546 /nfs/dbraw/zinc/30/95/46/488309546.db2.gz CRANMMMBEKSLHU-UHFFFAOYSA-N 1 2 239.265 3.566 20 0 BHADLO CC(C)([NH2+]Cc1cccc2ccccc21)C(F)F ZINC000684413844 488309357 /nfs/dbraw/zinc/30/93/57/488309357.db2.gz HFNXRSZCXRRXQA-UHFFFAOYSA-N 1 2 249.304 3.973 20 0 BHADLO CC(C)([NH2+]Cc1ccc(C(F)F)cc1)C(F)F ZINC000684413947 488309511 /nfs/dbraw/zinc/30/95/11/488309511.db2.gz MUQITWASBCTPTR-UHFFFAOYSA-N 1 2 249.251 3.758 20 0 BHADLO CCCc1ccc(C[NH2+]C(C)(C)C(F)F)cc1 ZINC000684414103 487881409 /nfs/dbraw/zinc/88/14/09/487881409.db2.gz SPVBHFIDEXBPCD-UHFFFAOYSA-N 1 2 241.325 3.772 20 0 BHADLO CC(C)([NH2+]Cc1coc2ccccc12)C(F)F ZINC000684414305 488309478 /nfs/dbraw/zinc/30/94/78/488309478.db2.gz YECFLDARVUBIFL-UHFFFAOYSA-N 1 2 239.265 3.566 20 0 BHADLO CCCc1cccc(C[NH2+]C(C)(C)C(F)F)c1 ZINC000684414932 488310271 /nfs/dbraw/zinc/31/02/71/488310271.db2.gz YCOUBDIBRODGHG-UHFFFAOYSA-N 1 2 241.325 3.772 20 0 BHADLO c1ccc(CCCCNc2cccc[nH+]2)cc1 ZINC000684836419 488347896 /nfs/dbraw/zinc/34/78/96/488347896.db2.gz KWPNTFCAIZRFMM-UHFFFAOYSA-N 1 2 226.323 3.516 20 0 BHADLO C[N@@H+](CCCC1CCCCC1)CC(F)F ZINC000685411474 487517217 /nfs/dbraw/zinc/51/72/17/487517217.db2.gz JFNZTZJGXXQVBU-UHFFFAOYSA-N 1 2 219.319 3.544 20 0 BHADLO C[N@H+](CCCC1CCCCC1)CC(F)F ZINC000685411474 487517214 /nfs/dbraw/zinc/51/72/14/487517214.db2.gz JFNZTZJGXXQVBU-UHFFFAOYSA-N 1 2 219.319 3.544 20 0 BHADLO CC[C@H]([NH2+]C[C@@H]1CC(C)=C[C@H](C)C1)C(F)(F)F ZINC000685621067 488095160 /nfs/dbraw/zinc/09/51/60/488095160.db2.gz AIPCQYCLCWCDNF-DLOVCJGASA-N 1 2 249.320 3.909 20 0 BHADLO CC[C@H]([NH2+]C[C@H]1CC(C)=C[C@@H](C)C1)C(F)(F)F ZINC000685621068 488095133 /nfs/dbraw/zinc/09/51/33/488095133.db2.gz AIPCQYCLCWCDNF-JLLWLGSASA-N 1 2 249.320 3.909 20 0 BHADLO CC[C@H]([NH2+]C[C@@H]1CC(C)=C[C@@H](C)C1)C(F)(F)F ZINC000685621069 488095196 /nfs/dbraw/zinc/09/51/96/488095196.db2.gz AIPCQYCLCWCDNF-USWWRNFRSA-N 1 2 249.320 3.909 20 0 BHADLO CC[C@H]([NH2+]C[C@H]1CC(C)=C[C@H](C)C1)C(F)(F)F ZINC000685621070 488095104 /nfs/dbraw/zinc/09/51/04/488095104.db2.gz AIPCQYCLCWCDNF-WCQGTBRESA-N 1 2 249.320 3.909 20 0 BHADLO Cc1cc2ccccc2[nH+]c1N1CCC2(CC2)C1 ZINC000685919032 487597445 /nfs/dbraw/zinc/59/74/45/487597445.db2.gz XKEGAZPGGPMHMF-UHFFFAOYSA-N 1 2 238.334 3.534 20 0 BHADLO C[C@H]1C[C@H]1C[NH2+]c1ccc(N2CCCCC2)cc1 ZINC000705210484 712124313 /nfs/dbraw/zinc/12/43/13/712124313.db2.gz DLEIOVOQKUUJNM-KBPBESRZSA-N 1 2 244.382 3.745 20 0 BHADLO C[C@@H]1C[C@H]1C[NH2+]c1ccc(N2CCCCC2)cc1 ZINC000705210486 712124398 /nfs/dbraw/zinc/12/43/98/712124398.db2.gz DLEIOVOQKUUJNM-KGLIPLIRSA-N 1 2 244.382 3.745 20 0 BHADLO C[C@H]1C[C@@H]1C[NH2+]c1ccc(N2CCCCC2)cc1 ZINC000705210487 712123849 /nfs/dbraw/zinc/12/38/49/712123849.db2.gz DLEIOVOQKUUJNM-UONOGXRCSA-N 1 2 244.382 3.745 20 0 BHADLO C[C@@H]1C[C@@H]1C[NH2+]c1ccc(N2CCCCC2)cc1 ZINC000705210810 712124281 /nfs/dbraw/zinc/12/42/81/712124281.db2.gz DLEIOVOQKUUJNM-ZIAGYGMSSA-N 1 2 244.382 3.745 20 0 BHADLO CCCc1ccc(NCc2[nH]c(C)c(C)[nH+]2)cc1 ZINC000709041083 712206810 /nfs/dbraw/zinc/20/68/10/712206810.db2.gz KHYJSLBHNGHBJC-UHFFFAOYSA-N 1 2 243.354 3.591 20 0 BHADLO Cc1coc(CNc2ccc([NH+](C)C)cc2C)c1 ZINC000718096403 712742559 /nfs/dbraw/zinc/74/25/59/712742559.db2.gz HPNKSMKCSUUSAT-UHFFFAOYSA-N 1 2 244.338 3.575 20 0 BHADLO CC(C)(C)c1cccc(-c2cccc(N)[nH+]2)c1 ZINC000725269521 538101823 /nfs/dbraw/zinc/10/18/23/538101823.db2.gz MWEMRCQHGRCPHB-UHFFFAOYSA-N 1 2 226.323 3.628 20 0 BHADLO C[N@@H+](CCCCCO)c1ccc(C(C)(C)C)cc1 ZINC000727026369 583590505 /nfs/dbraw/zinc/59/05/05/583590505.db2.gz YNMOEOGNEMZVGW-UHFFFAOYSA-N 1 2 249.398 3.583 20 0 BHADLO C[N@H+](CCCCCO)c1ccc(C(C)(C)C)cc1 ZINC000727026369 583590504 /nfs/dbraw/zinc/59/05/04/583590504.db2.gz YNMOEOGNEMZVGW-UHFFFAOYSA-N 1 2 249.398 3.583 20 0 BHADLO Cc1ccc([N@H+](C)CCCOC(C)C)c(C)c1 ZINC000728688435 583904559 /nfs/dbraw/zinc/90/45/59/583904559.db2.gz PNMWXBTYNMNLNV-UHFFFAOYSA-N 1 2 235.371 3.555 20 0 BHADLO Cc1ccc([N@@H+](C)CCCOC(C)C)c(C)c1 ZINC000728688435 583904557 /nfs/dbraw/zinc/90/45/57/583904557.db2.gz PNMWXBTYNMNLNV-UHFFFAOYSA-N 1 2 235.371 3.555 20 0 BHADLO COCCCCC[N@@H+](C)c1ccc(C)c(C)c1 ZINC000728688771 583904504 /nfs/dbraw/zinc/90/45/04/583904504.db2.gz VNIHBANBQZKFSK-UHFFFAOYSA-N 1 2 235.371 3.556 20 0 BHADLO COCCCCC[N@H+](C)c1ccc(C)c(C)c1 ZINC000728688771 583904503 /nfs/dbraw/zinc/90/45/03/583904503.db2.gz VNIHBANBQZKFSK-UHFFFAOYSA-N 1 2 235.371 3.556 20 0 BHADLO COCCCCC[N@@H+](C)c1ccc(C)cc1C ZINC000728688786 583904432 /nfs/dbraw/zinc/90/44/32/583904432.db2.gz WOCPFNJWFSFXTG-UHFFFAOYSA-N 1 2 235.371 3.556 20 0 BHADLO COCCCCC[N@H+](C)c1ccc(C)cc1C ZINC000728688786 583904430 /nfs/dbraw/zinc/90/44/30/583904430.db2.gz WOCPFNJWFSFXTG-UHFFFAOYSA-N 1 2 235.371 3.556 20 0 BHADLO C[N@@H+](C/C=C\Cl)Cc1ccc(F)cc1Cl ZINC000730663197 584913391 /nfs/dbraw/zinc/91/33/91/584913391.db2.gz BWOFQCMLXCKLIW-DJWKRKHSSA-N 1 2 248.128 3.663 20 0 BHADLO C[N@H+](C/C=C\Cl)Cc1ccc(F)cc1Cl ZINC000730663197 584913390 /nfs/dbraw/zinc/91/33/90/584913390.db2.gz BWOFQCMLXCKLIW-DJWKRKHSSA-N 1 2 248.128 3.663 20 0 BHADLO C[N@@H+](C/C=C/Cl)Cc1ccc(F)cc1Cl ZINC000730663198 584913500 /nfs/dbraw/zinc/91/35/00/584913500.db2.gz BWOFQCMLXCKLIW-GORDUTHDSA-N 1 2 248.128 3.663 20 0 BHADLO C[N@H+](C/C=C/Cl)Cc1ccc(F)cc1Cl ZINC000730663198 584913499 /nfs/dbraw/zinc/91/34/99/584913499.db2.gz BWOFQCMLXCKLIW-GORDUTHDSA-N 1 2 248.128 3.663 20 0 BHADLO CCC[N@H+](c1ccccc1)C1CCCC1 ZINC000731214851 584923763 /nfs/dbraw/zinc/92/37/63/584923763.db2.gz TUUOQKGKDHVUKJ-UHFFFAOYSA-N 1 2 203.329 3.846 20 0 BHADLO CCC[N@@H+](c1ccccc1)C1CCCC1 ZINC000731214851 584923762 /nfs/dbraw/zinc/92/37/62/584923762.db2.gz TUUOQKGKDHVUKJ-UHFFFAOYSA-N 1 2 203.329 3.846 20 0 BHADLO Cc1cc2[nH+]cn(C[Si](C)(C)C)c2cc1C ZINC000731842567 584929540 /nfs/dbraw/zinc/92/95/40/584929540.db2.gz ZWTDMXKKEHBXIQ-UHFFFAOYSA-N 1 2 232.403 3.531 20 0 BHADLO Cc1cc(NCC2CCCCCCC2)nc[nH+]1 ZINC000731982153 584932547 /nfs/dbraw/zinc/93/25/47/584932547.db2.gz VATNBHQBSOTXJA-UHFFFAOYSA-N 1 2 233.359 3.557 20 0 BHADLO CCCCC[C@@H](C)Nc1cc[nH+]c(C(C)C)n1 ZINC000731987461 584932562 /nfs/dbraw/zinc/93/25/62/584932562.db2.gz ZNPUTURMMXDIHP-GFCCVEGCSA-N 1 2 235.375 3.981 20 0 BHADLO CCCCC[C@H](C)Nc1cc[nH+]c(C(C)C)n1 ZINC000731987462 584932686 /nfs/dbraw/zinc/93/26/86/584932686.db2.gz ZNPUTURMMXDIHP-LBPRGKRZSA-N 1 2 235.375 3.981 20 0 BHADLO CCc1ccc([N@@H+](CC)CC2CCOCC2)cc1 ZINC000732981976 584942209 /nfs/dbraw/zinc/94/22/09/584942209.db2.gz JMUZJJIUBYPMEU-UHFFFAOYSA-N 1 2 247.382 3.502 20 0 BHADLO CCc1ccc([N@H+](CC)CC2CCOCC2)cc1 ZINC000732981976 584942208 /nfs/dbraw/zinc/94/22/08/584942208.db2.gz JMUZJJIUBYPMEU-UHFFFAOYSA-N 1 2 247.382 3.502 20 0 BHADLO CC[C@@H](Nc1cccc[nH+]1)c1ccccc1OC ZINC000733187340 584945172 /nfs/dbraw/zinc/94/51/72/584945172.db2.gz QCPPOLAYGQLLIY-CYBMUJFWSA-N 1 2 242.322 3.653 20 0 BHADLO CC[C@H](Nc1cccc[nH+]1)c1ccccc1OC ZINC000733187341 584945150 /nfs/dbraw/zinc/94/51/50/584945150.db2.gz QCPPOLAYGQLLIY-ZDUSSCGKSA-N 1 2 242.322 3.653 20 0 BHADLO CC(C)c1cnc(C[N@@H+](C)[C@H](C)c2ccco2)o1 ZINC000733308528 584946875 /nfs/dbraw/zinc/94/68/75/584946875.db2.gz LMXPGDANNRRYFI-LLVKDONJSA-N 1 2 248.326 3.584 20 0 BHADLO CC(C)c1cnc(C[N@H+](C)[C@H](C)c2ccco2)o1 ZINC000733308528 584946874 /nfs/dbraw/zinc/94/68/74/584946874.db2.gz LMXPGDANNRRYFI-LLVKDONJSA-N 1 2 248.326 3.584 20 0 BHADLO CC(C)c1cnc(C[N@@H+](C)[C@@H](C)c2ccco2)o1 ZINC000733308529 584946959 /nfs/dbraw/zinc/94/69/59/584946959.db2.gz LMXPGDANNRRYFI-NSHDSACASA-N 1 2 248.326 3.584 20 0 BHADLO CC(C)c1cnc(C[N@H+](C)[C@@H](C)c2ccco2)o1 ZINC000733308529 584946958 /nfs/dbraw/zinc/94/69/58/584946958.db2.gz LMXPGDANNRRYFI-NSHDSACASA-N 1 2 248.326 3.584 20 0 BHADLO C[N@@H+](CC(F)(F)C(F)F)C1CCCCCC1 ZINC000733897464 643478127 /nfs/dbraw/zinc/47/81/27/643478127.db2.gz RGPVUPLIGIGNGZ-UHFFFAOYSA-N 1 2 241.272 3.541 20 0 BHADLO C[N@H+](CC(F)(F)C(F)F)C1CCCCCC1 ZINC000733897464 643478125 /nfs/dbraw/zinc/47/81/25/643478125.db2.gz RGPVUPLIGIGNGZ-UHFFFAOYSA-N 1 2 241.272 3.541 20 0 BHADLO CC[N@@H+](CCCCOC)c1ccc(C)cc1C ZINC000733897533 643477380 /nfs/dbraw/zinc/47/73/80/643477380.db2.gz HKBOPVIXZHVNMC-UHFFFAOYSA-N 1 2 235.371 3.556 20 0 BHADLO CC[N@H+](CCCCOC)c1ccc(C)cc1C ZINC000733897533 643477376 /nfs/dbraw/zinc/47/73/76/643477376.db2.gz HKBOPVIXZHVNMC-UHFFFAOYSA-N 1 2 235.371 3.556 20 0 BHADLO Cc1cc(NC[C@H](C)C(C)(C)C)nc(C2CC2)[nH+]1 ZINC000734833816 584968988 /nfs/dbraw/zinc/96/89/88/584968988.db2.gz QCRAKILOUPZWFF-JTQLQIEISA-N 1 2 247.386 3.757 20 0 BHADLO Cc1cc(NC[C@@H](C)C(C)(C)C)nc(C2CC2)[nH+]1 ZINC000734833817 584969050 /nfs/dbraw/zinc/96/90/50/584969050.db2.gz QCRAKILOUPZWFF-SNVBAGLBSA-N 1 2 247.386 3.757 20 0 BHADLO CC[N@@H+](CCCCCOC)c1ccc(C)cc1 ZINC000735078271 584972747 /nfs/dbraw/zinc/97/27/47/584972747.db2.gz GQRRAXQGHAOVHP-UHFFFAOYSA-N 1 2 235.371 3.638 20 0 BHADLO CC[N@H+](CCCCCOC)c1ccc(C)cc1 ZINC000735078271 584972746 /nfs/dbraw/zinc/97/27/46/584972746.db2.gz GQRRAXQGHAOVHP-UHFFFAOYSA-N 1 2 235.371 3.638 20 0 BHADLO CCc1ccc([N@@H+](CC)CCCCOC)cc1 ZINC000735490038 584977915 /nfs/dbraw/zinc/97/79/15/584977915.db2.gz AMLVXSLIZONZCG-UHFFFAOYSA-N 1 2 235.371 3.502 20 0 BHADLO CCc1ccc([N@H+](CC)CCCCOC)cc1 ZINC000735490038 584977914 /nfs/dbraw/zinc/97/79/14/584977914.db2.gz AMLVXSLIZONZCG-UHFFFAOYSA-N 1 2 235.371 3.502 20 0 BHADLO CC(C)[N@@H+](CC(F)(F)C(F)F)C1CCCC1 ZINC000736619832 585008117 /nfs/dbraw/zinc/00/81/17/585008117.db2.gz PPEOGCQDDKMWLH-UHFFFAOYSA-N 1 2 241.272 3.540 20 0 BHADLO CC(C)[N@H+](CC(F)(F)C(F)F)C1CCCC1 ZINC000736619832 585008116 /nfs/dbraw/zinc/00/81/16/585008116.db2.gz PPEOGCQDDKMWLH-UHFFFAOYSA-N 1 2 241.272 3.540 20 0 BHADLO CCC(CC)[N@@H+](CC(F)(F)C(F)F)C1CC1 ZINC000736620923 585008160 /nfs/dbraw/zinc/00/81/60/585008160.db2.gz JYVVPSYXGQUZAN-UHFFFAOYSA-N 1 2 241.272 3.540 20 0 BHADLO CCC(CC)[N@H+](CC(F)(F)C(F)F)C1CC1 ZINC000736620923 585008159 /nfs/dbraw/zinc/00/81/59/585008159.db2.gz JYVVPSYXGQUZAN-UHFFFAOYSA-N 1 2 241.272 3.540 20 0 BHADLO CC[N@@H+](CC(F)(F)C(F)F)C1CCCCC1 ZINC000736621404 585008050 /nfs/dbraw/zinc/00/80/50/585008050.db2.gz MHJZQSOQLOCNJI-UHFFFAOYSA-N 1 2 241.272 3.541 20 0 BHADLO CC[N@H+](CC(F)(F)C(F)F)C1CCCCC1 ZINC000736621404 585008049 /nfs/dbraw/zinc/00/80/49/585008049.db2.gz MHJZQSOQLOCNJI-UHFFFAOYSA-N 1 2 241.272 3.541 20 0 BHADLO CCCCC[N@@H+](CC(F)(F)C(F)F)C(C)C ZINC000736621773 585008229 /nfs/dbraw/zinc/00/82/29/585008229.db2.gz PPYJKHPXGNQMAK-UHFFFAOYSA-N 1 2 243.288 3.787 20 0 BHADLO CCCCC[N@H+](CC(F)(F)C(F)F)C(C)C ZINC000736621773 585008228 /nfs/dbraw/zinc/00/82/28/585008228.db2.gz PPYJKHPXGNQMAK-UHFFFAOYSA-N 1 2 243.288 3.787 20 0 BHADLO CCCC[NH+](CCCC)CC(F)(F)C(F)F ZINC000736622132 585008141 /nfs/dbraw/zinc/00/81/41/585008141.db2.gz YPILRBKVFDWKFE-UHFFFAOYSA-N 1 2 243.288 3.789 20 0 BHADLO CCC(CC)C[N@@H+](CC)CC(F)(F)C(F)F ZINC000736622401 585008193 /nfs/dbraw/zinc/00/81/93/585008193.db2.gz STYHLHSHOZJIED-UHFFFAOYSA-N 1 2 243.288 3.645 20 0 BHADLO CCC(CC)C[N@H+](CC)CC(F)(F)C(F)F ZINC000736622401 585008192 /nfs/dbraw/zinc/00/81/92/585008192.db2.gz STYHLHSHOZJIED-UHFFFAOYSA-N 1 2 243.288 3.645 20 0 BHADLO CC[C@@H]1CCCCC[N@H+]1CC(F)(F)C(F)F ZINC000739926575 585086538 /nfs/dbraw/zinc/08/65/38/585086538.db2.gz HUIALQBQBXLOQO-SECBINFHSA-N 1 2 241.272 3.541 20 0 BHADLO CC[C@@H]1CCCCC[N@@H+]1CC(F)(F)C(F)F ZINC000739926575 585086537 /nfs/dbraw/zinc/08/65/37/585086537.db2.gz HUIALQBQBXLOQO-SECBINFHSA-N 1 2 241.272 3.541 20 0 BHADLO CC[C@H]1CCCCC[N@H+]1CC(F)(F)C(F)F ZINC000739926579 585086548 /nfs/dbraw/zinc/08/65/48/585086548.db2.gz HUIALQBQBXLOQO-VIFPVBQESA-N 1 2 241.272 3.541 20 0 BHADLO CC[C@H]1CCCCC[N@@H+]1CC(F)(F)C(F)F ZINC000739926579 585086547 /nfs/dbraw/zinc/08/65/47/585086547.db2.gz HUIALQBQBXLOQO-VIFPVBQESA-N 1 2 241.272 3.541 20 0 BHADLO CCOCCC[N@H+](c1ccc(C)cc1)C(C)C ZINC000741781585 585118699 /nfs/dbraw/zinc/11/86/99/585118699.db2.gz SSQFMGBOFWAODK-UHFFFAOYSA-N 1 2 235.371 3.636 20 0 BHADLO CCOCCC[N@@H+](c1ccc(C)cc1)C(C)C ZINC000741781585 585118698 /nfs/dbraw/zinc/11/86/98/585118698.db2.gz SSQFMGBOFWAODK-UHFFFAOYSA-N 1 2 235.371 3.636 20 0 BHADLO CC[N@@H+](CCCOC(C)C)c1ccc(C)cc1 ZINC000741782403 585118629 /nfs/dbraw/zinc/11/86/29/585118629.db2.gz UQWSRARTPCCUHL-UHFFFAOYSA-N 1 2 235.371 3.636 20 0 BHADLO CC[N@H+](CCCOC(C)C)c1ccc(C)cc1 ZINC000741782403 585118628 /nfs/dbraw/zinc/11/86/28/585118628.db2.gz UQWSRARTPCCUHL-UHFFFAOYSA-N 1 2 235.371 3.636 20 0 BHADLO Cc1nc(NCC2CCCCCCC2)cc[nH+]1 ZINC000742395563 585125773 /nfs/dbraw/zinc/12/57/73/585125773.db2.gz XSDCPSFYXYFCIF-UHFFFAOYSA-N 1 2 233.359 3.557 20 0 BHADLO CC(C)c1nc(N2C3CCCC2CCC3)cc[nH+]1 ZINC000742417694 585126087 /nfs/dbraw/zinc/12/60/87/585126087.db2.gz IDYQPOWOBAKKTL-UHFFFAOYSA-N 1 2 245.370 3.511 20 0 BHADLO Cc1ccc([N@@H+](C)CCCCCCCO)c(C)c1 ZINC000743840975 585140244 /nfs/dbraw/zinc/14/02/44/585140244.db2.gz AYBQVPMGKYPPQB-UHFFFAOYSA-N 1 2 249.398 3.682 20 0 BHADLO Cc1ccc([N@H+](C)CCCCCCCO)c(C)c1 ZINC000743840975 585140243 /nfs/dbraw/zinc/14/02/43/585140243.db2.gz AYBQVPMGKYPPQB-UHFFFAOYSA-N 1 2 249.398 3.682 20 0 BHADLO Cc1ccc([N@@H+](C)CC2CCC2)cc1C ZINC000743841067 585140291 /nfs/dbraw/zinc/14/02/91/585140291.db2.gz DEJCADIPIIIRDE-UHFFFAOYSA-N 1 2 203.329 3.540 20 0 BHADLO Cc1ccc([N@H+](C)CC2CCC2)cc1C ZINC000743841067 585140290 /nfs/dbraw/zinc/14/02/90/585140290.db2.gz DEJCADIPIIIRDE-UHFFFAOYSA-N 1 2 203.329 3.540 20 0 BHADLO Cc1ccc([N@@H+](C)CCC2CC2)c(C)c1 ZINC000743841376 585140265 /nfs/dbraw/zinc/14/02/65/585140265.db2.gz JYOYIXDOTVCLLJ-UHFFFAOYSA-N 1 2 203.329 3.540 20 0 BHADLO Cc1ccc([N@H+](C)CCC2CC2)c(C)c1 ZINC000743841376 585140264 /nfs/dbraw/zinc/14/02/64/585140264.db2.gz JYOYIXDOTVCLLJ-UHFFFAOYSA-N 1 2 203.329 3.540 20 0 BHADLO Cc1ccc([N@@H+](C)CCCCCCCO)cc1C ZINC000743841463 585140517 /nfs/dbraw/zinc/14/05/17/585140517.db2.gz NQUMZFYQUKVEAI-UHFFFAOYSA-N 1 2 249.398 3.682 20 0 BHADLO Cc1ccc([N@H+](C)CCCCCCCO)cc1C ZINC000743841463 585140516 /nfs/dbraw/zinc/14/05/16/585140516.db2.gz NQUMZFYQUKVEAI-UHFFFAOYSA-N 1 2 249.398 3.682 20 0 BHADLO Cc1ccc([N@@H+](C)CC2CCC2)c(C)c1 ZINC000743841673 585140451 /nfs/dbraw/zinc/14/04/51/585140451.db2.gz QVSNBFPDKWYRDS-UHFFFAOYSA-N 1 2 203.329 3.540 20 0 BHADLO Cc1ccc([N@H+](C)CC2CCC2)c(C)c1 ZINC000743841673 585140450 /nfs/dbraw/zinc/14/04/50/585140450.db2.gz QVSNBFPDKWYRDS-UHFFFAOYSA-N 1 2 203.329 3.540 20 0 BHADLO Cc1ccc([N@@H+](C)CCC2CC2)cc1C ZINC000743841783 585140301 /nfs/dbraw/zinc/14/03/01/585140301.db2.gz WZRGMKABMVRKGB-UHFFFAOYSA-N 1 2 203.329 3.540 20 0 BHADLO Cc1ccc([N@H+](C)CCC2CC2)cc1C ZINC000743841783 585140300 /nfs/dbraw/zinc/14/03/00/585140300.db2.gz WZRGMKABMVRKGB-UHFFFAOYSA-N 1 2 203.329 3.540 20 0 BHADLO Cc1ccc(C)c([N@@H+](C)CCCCCCCO)c1 ZINC000743842595 585140563 /nfs/dbraw/zinc/14/05/63/585140563.db2.gz IGSVYJVMYBKIID-UHFFFAOYSA-N 1 2 249.398 3.682 20 0 BHADLO Cc1ccc(C)c([N@H+](C)CCCCCCCO)c1 ZINC000743842595 585140562 /nfs/dbraw/zinc/14/05/62/585140562.db2.gz IGSVYJVMYBKIID-UHFFFAOYSA-N 1 2 249.398 3.682 20 0 BHADLO Cc1cc(C)cc([N@@H+](C)CCCCCCCO)c1 ZINC000743843191 585140141 /nfs/dbraw/zinc/14/01/41/585140141.db2.gz PSJFOXBXKKZUEY-UHFFFAOYSA-N 1 2 249.398 3.682 20 0 BHADLO Cc1cc(C)cc([N@H+](C)CCCCCCCO)c1 ZINC000743843191 585140140 /nfs/dbraw/zinc/14/01/40/585140140.db2.gz PSJFOXBXKKZUEY-UHFFFAOYSA-N 1 2 249.398 3.682 20 0 BHADLO Cc1cccc([N@@H+](C)CCCCCCCO)c1C ZINC000743843194 585140196 /nfs/dbraw/zinc/14/01/96/585140196.db2.gz PUUQVFBBOVGVFC-UHFFFAOYSA-N 1 2 249.398 3.682 20 0 BHADLO Cc1cccc([N@H+](C)CCCCCCCO)c1C ZINC000743843194 585140195 /nfs/dbraw/zinc/14/01/95/585140195.db2.gz PUUQVFBBOVGVFC-UHFFFAOYSA-N 1 2 249.398 3.682 20 0 BHADLO CC(C)[N@@H+](CCCCCCCO)c1ccccc1 ZINC000744390264 585149761 /nfs/dbraw/zinc/14/97/61/585149761.db2.gz UBNZCNORXINUHQ-UHFFFAOYSA-N 1 2 249.398 3.844 20 0 BHADLO CC(C)[N@H+](CCCCCCCO)c1ccccc1 ZINC000744390264 585149760 /nfs/dbraw/zinc/14/97/60/585149760.db2.gz UBNZCNORXINUHQ-UHFFFAOYSA-N 1 2 249.398 3.844 20 0 BHADLO CC[N@@H+](CCCSC)c1ccc(C)cc1 ZINC000744391907 585149997 /nfs/dbraw/zinc/14/99/97/585149997.db2.gz OMXPTMCYTNNHEA-UHFFFAOYSA-N 1 2 223.385 3.574 20 0 BHADLO CC[N@H+](CCCSC)c1ccc(C)cc1 ZINC000744391907 585149996 /nfs/dbraw/zinc/14/99/96/585149996.db2.gz OMXPTMCYTNNHEA-UHFFFAOYSA-N 1 2 223.385 3.574 20 0 BHADLO CC[N@@H+](CC1CCC1)c1ccc(C)cc1 ZINC000744392126 585149874 /nfs/dbraw/zinc/14/98/74/585149874.db2.gz URFHWWIRKYDCKZ-UHFFFAOYSA-N 1 2 203.329 3.621 20 0 BHADLO CC[N@H+](CC1CCC1)c1ccc(C)cc1 ZINC000744392126 585149873 /nfs/dbraw/zinc/14/98/73/585149873.db2.gz URFHWWIRKYDCKZ-UHFFFAOYSA-N 1 2 203.329 3.621 20 0 BHADLO Cc1ccccc1C[N@@H+](C)C/C(Cl)=C/Cl ZINC000746494035 585168907 /nfs/dbraw/zinc/16/89/07/585168907.db2.gz NAEYXDYLNKJKDN-GHXNOFRVSA-N 1 2 244.165 3.746 20 0 BHADLO Cc1ccccc1C[N@H+](C)C/C(Cl)=C/Cl ZINC000746494035 585168906 /nfs/dbraw/zinc/16/89/06/585168906.db2.gz NAEYXDYLNKJKDN-GHXNOFRVSA-N 1 2 244.165 3.746 20 0 BHADLO Cc1ccccc1C[N@@H+](C)C/C(Cl)=C\Cl ZINC000746494040 585168895 /nfs/dbraw/zinc/16/88/95/585168895.db2.gz NAEYXDYLNKJKDN-KPKJPENVSA-N 1 2 244.165 3.746 20 0 BHADLO Cc1ccccc1C[N@H+](C)C/C(Cl)=C\Cl ZINC000746494040 585168894 /nfs/dbraw/zinc/16/88/94/585168894.db2.gz NAEYXDYLNKJKDN-KPKJPENVSA-N 1 2 244.165 3.746 20 0 BHADLO FCC[NH+]1Cc2ccccc2-c2ccccc2C1 ZINC000746500527 585169292 /nfs/dbraw/zinc/16/92/92/585169292.db2.gz DFCHWKMIKYIFOR-UHFFFAOYSA-N 1 2 241.309 3.639 20 0 BHADLO C[N@@H+](C/C(Cl)=C/Cl)Cc1ccc(F)cc1 ZINC000746502308 585169496 /nfs/dbraw/zinc/16/94/96/585169496.db2.gz IMCXCKSLDYGKHN-POHAHGRESA-N 1 2 248.128 3.577 20 0 BHADLO C[N@H+](C/C(Cl)=C/Cl)Cc1ccc(F)cc1 ZINC000746502308 585169495 /nfs/dbraw/zinc/16/94/95/585169495.db2.gz IMCXCKSLDYGKHN-POHAHGRESA-N 1 2 248.128 3.577 20 0 BHADLO C[N@@H+](C/C(Cl)=C\Cl)Cc1ccc(F)cc1 ZINC000746502309 585169513 /nfs/dbraw/zinc/16/95/13/585169513.db2.gz IMCXCKSLDYGKHN-UXBLZVDNSA-N 1 2 248.128 3.577 20 0 BHADLO C[N@H+](C/C(Cl)=C\Cl)Cc1ccc(F)cc1 ZINC000746502309 585169512 /nfs/dbraw/zinc/16/95/12/585169512.db2.gz IMCXCKSLDYGKHN-UXBLZVDNSA-N 1 2 248.128 3.577 20 0 BHADLO C[C@@H](c1ccccc1Cl)[N@@H+](CCF)C1CC1 ZINC000746502357 584789364 /nfs/dbraw/zinc/78/93/64/584789364.db2.gz JFWWTBBXXGEJIM-JTQLQIEISA-N 1 2 241.737 3.835 20 0 BHADLO C[C@@H](c1ccccc1Cl)[N@H+](CCF)C1CC1 ZINC000746502357 584789362 /nfs/dbraw/zinc/78/93/62/584789362.db2.gz JFWWTBBXXGEJIM-JTQLQIEISA-N 1 2 241.737 3.835 20 0 BHADLO C[C@H](c1ccccc1Cl)[N@@H+](CCF)C1CC1 ZINC000746502362 584789368 /nfs/dbraw/zinc/78/93/68/584789368.db2.gz JFWWTBBXXGEJIM-SNVBAGLBSA-N 1 2 241.737 3.835 20 0 BHADLO C[C@H](c1ccccc1Cl)[N@H+](CCF)C1CC1 ZINC000746502362 584789367 /nfs/dbraw/zinc/78/93/67/584789367.db2.gz JFWWTBBXXGEJIM-SNVBAGLBSA-N 1 2 241.737 3.835 20 0 BHADLO FC(F)COc1ccc([NH2+]C2CCCC2)cc1 ZINC000748239183 585189684 /nfs/dbraw/zinc/18/96/84/585189684.db2.gz PKWVNZKUCHLKFR-UHFFFAOYSA-N 1 2 241.281 3.685 20 0 BHADLO CC(C)(C)C[NH2+]c1ccc(OCC(F)F)cc1 ZINC000748240521 585189656 /nfs/dbraw/zinc/18/96/56/585189656.db2.gz YFMFPKXIMCJINJ-UHFFFAOYSA-N 1 2 243.297 3.789 20 0 BHADLO Cl/C=C\C[N@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000749116280 585199547 /nfs/dbraw/zinc/19/95/47/585199547.db2.gz ZASKESMZCDIUNL-JZGNZGOOSA-N 1 2 242.149 3.839 20 0 BHADLO Cl/C=C\C[N@@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000749116280 585199546 /nfs/dbraw/zinc/19/95/46/585199546.db2.gz ZASKESMZCDIUNL-JZGNZGOOSA-N 1 2 242.149 3.839 20 0 BHADLO Cl/C=C\C[N@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000749116281 585199716 /nfs/dbraw/zinc/19/97/16/585199716.db2.gz ZASKESMZCDIUNL-LTKKOGMMSA-N 1 2 242.149 3.839 20 0 BHADLO Cl/C=C\C[N@@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000749116281 585199715 /nfs/dbraw/zinc/19/97/15/585199715.db2.gz ZASKESMZCDIUNL-LTKKOGMMSA-N 1 2 242.149 3.839 20 0 BHADLO Cl/C=C/C[N@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000749116283 585199804 /nfs/dbraw/zinc/19/98/04/585199804.db2.gz ZASKESMZCDIUNL-QLUOWFOFSA-N 1 2 242.149 3.839 20 0 BHADLO Cl/C=C/C[N@@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000749116283 585199803 /nfs/dbraw/zinc/19/98/03/585199803.db2.gz ZASKESMZCDIUNL-QLUOWFOFSA-N 1 2 242.149 3.839 20 0 BHADLO Cl/C=C/C[N@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000749116285 585199679 /nfs/dbraw/zinc/19/96/79/585199679.db2.gz ZASKESMZCDIUNL-VRFZCSFXSA-N 1 2 242.149 3.839 20 0 BHADLO Cl/C=C/C[N@@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000749116285 585199678 /nfs/dbraw/zinc/19/96/78/585199678.db2.gz ZASKESMZCDIUNL-VRFZCSFXSA-N 1 2 242.149 3.839 20 0 BHADLO CC[N@@H+](CCCCCCO)c1cc(C)ccc1C ZINC000750606221 585217828 /nfs/dbraw/zinc/21/78/28/585217828.db2.gz CDZDCVAWJICRFQ-UHFFFAOYSA-N 1 2 249.398 3.682 20 0 BHADLO CC[N@H+](CCCCCCO)c1cc(C)ccc1C ZINC000750606221 585217827 /nfs/dbraw/zinc/21/78/27/585217827.db2.gz CDZDCVAWJICRFQ-UHFFFAOYSA-N 1 2 249.398 3.682 20 0 BHADLO CC[N@@H+](CCCCCCO)c1ccc(C)cc1C ZINC000750606768 585217847 /nfs/dbraw/zinc/21/78/47/585217847.db2.gz JIVUSMRRNICPKM-UHFFFAOYSA-N 1 2 249.398 3.682 20 0 BHADLO CC[N@H+](CCCCCCO)c1ccc(C)cc1C ZINC000750606768 585217846 /nfs/dbraw/zinc/21/78/46/585217846.db2.gz JIVUSMRRNICPKM-UHFFFAOYSA-N 1 2 249.398 3.682 20 0 BHADLO Cc1ccc([N@H+](CCCCCCO)C(C)C)cc1 ZINC000750607465 585217893 /nfs/dbraw/zinc/21/78/93/585217893.db2.gz VLVGBGFAPHGZFN-UHFFFAOYSA-N 1 2 249.398 3.763 20 0 BHADLO Cc1ccc([N@@H+](CCCCCCO)C(C)C)cc1 ZINC000750607465 585217892 /nfs/dbraw/zinc/21/78/92/585217892.db2.gz VLVGBGFAPHGZFN-UHFFFAOYSA-N 1 2 249.398 3.763 20 0 BHADLO CC[N@@H+](CCCCCCO)c1cc(C)cc(C)c1 ZINC000750607561 585217813 /nfs/dbraw/zinc/21/78/13/585217813.db2.gz WRBVPJNXVCIZBK-UHFFFAOYSA-N 1 2 249.398 3.682 20 0 BHADLO CC[N@H+](CCCCCCO)c1cc(C)cc(C)c1 ZINC000750607561 585217812 /nfs/dbraw/zinc/21/78/12/585217812.db2.gz WRBVPJNXVCIZBK-UHFFFAOYSA-N 1 2 249.398 3.682 20 0 BHADLO Cc1cccc([N@H+](CCCCCCO)C(C)C)c1 ZINC000750795415 585219932 /nfs/dbraw/zinc/21/99/32/585219932.db2.gz HLIWILGAWNPTIT-UHFFFAOYSA-N 1 2 249.398 3.763 20 0 BHADLO Cc1cccc([N@@H+](CCCCCCO)C(C)C)c1 ZINC000750795415 585219931 /nfs/dbraw/zinc/21/99/31/585219931.db2.gz HLIWILGAWNPTIT-UHFFFAOYSA-N 1 2 249.398 3.763 20 0 BHADLO Cc1ccccc1[N@H+](CCCCCCO)C(C)C ZINC000750795430 585219947 /nfs/dbraw/zinc/21/99/47/585219947.db2.gz IFJOUDRMAQOPBT-UHFFFAOYSA-N 1 2 249.398 3.763 20 0 BHADLO Cc1ccccc1[N@@H+](CCCCCCO)C(C)C ZINC000750795430 585219946 /nfs/dbraw/zinc/21/99/46/585219946.db2.gz IFJOUDRMAQOPBT-UHFFFAOYSA-N 1 2 249.398 3.763 20 0 BHADLO CC[N@@H+](CCCCCCO)c1cccc(C)c1C ZINC000750796248 585220034 /nfs/dbraw/zinc/22/00/34/585220034.db2.gz SGHAPAXQHSNKAO-UHFFFAOYSA-N 1 2 249.398 3.682 20 0 BHADLO CC[N@H+](CCCCCCO)c1cccc(C)c1C ZINC000750796248 585220033 /nfs/dbraw/zinc/22/00/33/585220033.db2.gz SGHAPAXQHSNKAO-UHFFFAOYSA-N 1 2 249.398 3.682 20 0 BHADLO Cc1cc(NC[C@H]2CC=CCC2)ccc1[NH+](C)C ZINC000752082356 585241703 /nfs/dbraw/zinc/24/17/03/585241703.db2.gz FAYKUIYTZCIOKC-AWEZNQCLSA-N 1 2 244.382 3.829 20 0 BHADLO Cc1cc(NC[C@@H]2CC=CCC2)ccc1[NH+](C)C ZINC000752082357 585241675 /nfs/dbraw/zinc/24/16/75/585241675.db2.gz FAYKUIYTZCIOKC-CQSZACIVSA-N 1 2 244.382 3.829 20 0 BHADLO FC1C[NH+](Cc2ccccc2-c2ccccc2)C1 ZINC000753577784 585262512 /nfs/dbraw/zinc/26/25/12/585262512.db2.gz ZDODFCVJQQDZNI-UHFFFAOYSA-N 1 2 241.309 3.507 20 0 BHADLO FC(F)COc1ccc([NH2+]CC2CCC2)cc1 ZINC000753715976 585267074 /nfs/dbraw/zinc/26/70/74/585267074.db2.gz HWMICVROGJOTGA-UHFFFAOYSA-N 1 2 241.281 3.543 20 0 BHADLO FC(F)(F)C[NH2+]C(C1CCCC1)C1CCCC1 ZINC000754145653 644609960 /nfs/dbraw/zinc/60/99/60/644609960.db2.gz WEEDICKJMKRHIK-UHFFFAOYSA-N 1 2 249.320 3.887 20 0 BHADLO CCC[C@@H]1CCCC[N@H+]1CC(F)(F)C(F)F ZINC000755244863 585296549 /nfs/dbraw/zinc/29/65/49/585296549.db2.gz KCNQXQLSVYVVOK-SECBINFHSA-N 1 2 241.272 3.541 20 0 BHADLO CCC[C@@H]1CCCC[N@@H+]1CC(F)(F)C(F)F ZINC000755244863 585296548 /nfs/dbraw/zinc/29/65/48/585296548.db2.gz KCNQXQLSVYVVOK-SECBINFHSA-N 1 2 241.272 3.541 20 0 BHADLO CCC[C@H]1CCCC[N@H+]1CC(F)(F)C(F)F ZINC000755245126 585296640 /nfs/dbraw/zinc/29/66/40/585296640.db2.gz KCNQXQLSVYVVOK-VIFPVBQESA-N 1 2 241.272 3.541 20 0 BHADLO CCC[C@H]1CCCC[N@@H+]1CC(F)(F)C(F)F ZINC000755245126 585296639 /nfs/dbraw/zinc/29/66/39/585296639.db2.gz KCNQXQLSVYVVOK-VIFPVBQESA-N 1 2 241.272 3.541 20 0 BHADLO C/C(=C\C(=O)Nc1ccc(C)[nH+]c1C)C(C)(C)C ZINC000755608356 585302197 /nfs/dbraw/zinc/30/21/97/585302197.db2.gz RWIJATBMKRKGLR-MDZDMXLPSA-N 1 2 246.354 3.629 20 0 BHADLO CC(C)(C)C1=CC[N@@H+](C/C(Cl)=C\Cl)CC1 ZINC000759263527 585366467 /nfs/dbraw/zinc/36/64/67/585366467.db2.gz MDLCPCHUUIAEGY-DHZHZOJOSA-N 1 2 248.197 3.984 20 0 BHADLO CC(C)(C)C1=CC[N@H+](C/C(Cl)=C\Cl)CC1 ZINC000759263527 585366466 /nfs/dbraw/zinc/36/64/66/585366466.db2.gz MDLCPCHUUIAEGY-DHZHZOJOSA-N 1 2 248.197 3.984 20 0 BHADLO CC(C)(C)C1=CC[N@@H+](C/C(Cl)=C/Cl)CC1 ZINC000759263528 585366435 /nfs/dbraw/zinc/36/64/35/585366435.db2.gz MDLCPCHUUIAEGY-FLIBITNWSA-N 1 2 248.197 3.984 20 0 BHADLO CC(C)(C)C1=CC[N@H+](C/C(Cl)=C/Cl)CC1 ZINC000759263528 585366434 /nfs/dbraw/zinc/36/64/34/585366434.db2.gz MDLCPCHUUIAEGY-FLIBITNWSA-N 1 2 248.197 3.984 20 0 BHADLO CCC[N@@H+](CCF)Cc1c(F)cccc1Cl ZINC000759330082 585367748 /nfs/dbraw/zinc/36/77/48/585367748.db2.gz BROVDSXGBPKPOJ-UHFFFAOYSA-N 1 2 247.716 3.661 20 0 BHADLO CCC[N@H+](CCF)Cc1c(F)cccc1Cl ZINC000759330082 585367747 /nfs/dbraw/zinc/36/77/47/585367747.db2.gz BROVDSXGBPKPOJ-UHFFFAOYSA-N 1 2 247.716 3.661 20 0 BHADLO Cc1cccc(C[N@@H+](CCF)Cc2ccco2)c1 ZINC000759330097 585367958 /nfs/dbraw/zinc/36/79/58/585367958.db2.gz CMGIHGPFMPWFJB-UHFFFAOYSA-N 1 2 247.313 3.560 20 0 BHADLO Cc1cccc(C[N@H+](CCF)Cc2ccco2)c1 ZINC000759330097 585367957 /nfs/dbraw/zinc/36/79/57/585367957.db2.gz CMGIHGPFMPWFJB-UHFFFAOYSA-N 1 2 247.313 3.560 20 0 BHADLO C[C@@H](Nc1ccc2ccccc2[nH+]1)c1ccc[nH]1 ZINC000760271609 585388238 /nfs/dbraw/zinc/38/82/38/585388238.db2.gz FJCRGBITHSSNDC-LLVKDONJSA-N 1 2 237.306 3.736 20 0 BHADLO C[C@H](Nc1ccc2ccccc2[nH+]1)c1ccc[nH]1 ZINC000760271610 585388308 /nfs/dbraw/zinc/38/83/08/585388308.db2.gz FJCRGBITHSSNDC-NSHDSACASA-N 1 2 237.306 3.736 20 0 BHADLO Cc1ccc([N@H+](C)C[C@H]2CCO[C@H](C)C2)c(C)c1 ZINC000761213592 585412483 /nfs/dbraw/zinc/41/24/83/585412483.db2.gz AVVICSKYWTUTQM-CABCVRRESA-N 1 2 247.382 3.555 20 0 BHADLO Cc1ccc([N@@H+](C)C[C@H]2CCO[C@H](C)C2)c(C)c1 ZINC000761213592 585412482 /nfs/dbraw/zinc/41/24/82/585412482.db2.gz AVVICSKYWTUTQM-CABCVRRESA-N 1 2 247.382 3.555 20 0 BHADLO Cc1ccc([N@H+](C)C[C@H]2CCO[C@@H](C)C2)c(C)c1 ZINC000761213595 585412533 /nfs/dbraw/zinc/41/25/33/585412533.db2.gz AVVICSKYWTUTQM-GJZGRUSLSA-N 1 2 247.382 3.555 20 0 BHADLO Cc1ccc([N@@H+](C)C[C@H]2CCO[C@@H](C)C2)c(C)c1 ZINC000761213595 585412532 /nfs/dbraw/zinc/41/25/32/585412532.db2.gz AVVICSKYWTUTQM-GJZGRUSLSA-N 1 2 247.382 3.555 20 0 BHADLO Cc1ccc([N@H+](C)C[C@@H]2CCO[C@H](C)C2)c(C)c1 ZINC000761213787 585412530 /nfs/dbraw/zinc/41/25/30/585412530.db2.gz AVVICSKYWTUTQM-HUUCEWRRSA-N 1 2 247.382 3.555 20 0 BHADLO Cc1ccc([N@@H+](C)C[C@@H]2CCO[C@H](C)C2)c(C)c1 ZINC000761213787 585412529 /nfs/dbraw/zinc/41/25/29/585412529.db2.gz AVVICSKYWTUTQM-HUUCEWRRSA-N 1 2 247.382 3.555 20 0 BHADLO Cc1ccc([N@H+](C)C[C@@H]2CCO[C@@H](C)C2)c(C)c1 ZINC000761213789 585412325 /nfs/dbraw/zinc/41/23/25/585412325.db2.gz AVVICSKYWTUTQM-LSDHHAIUSA-N 1 2 247.382 3.555 20 0 BHADLO Cc1ccc([N@@H+](C)C[C@@H]2CCO[C@@H](C)C2)c(C)c1 ZINC000761213789 585412324 /nfs/dbraw/zinc/41/23/24/585412324.db2.gz AVVICSKYWTUTQM-LSDHHAIUSA-N 1 2 247.382 3.555 20 0 BHADLO Cc1ccc([N@H+](C[C@@H]2CCCOC2)C(C)C)cc1 ZINC000761249054 585412347 /nfs/dbraw/zinc/41/23/47/585412347.db2.gz FGJJUULYHWRIOP-HNNXBMFYSA-N 1 2 247.382 3.636 20 0 BHADLO Cc1ccc([N@@H+](C[C@@H]2CCCOC2)C(C)C)cc1 ZINC000761249054 585412346 /nfs/dbraw/zinc/41/23/46/585412346.db2.gz FGJJUULYHWRIOP-HNNXBMFYSA-N 1 2 247.382 3.636 20 0 BHADLO Cc1ccc([N@H+](C[C@H]2CCCOC2)C(C)C)cc1 ZINC000761249056 585412336 /nfs/dbraw/zinc/41/23/36/585412336.db2.gz FGJJUULYHWRIOP-OAHLLOKOSA-N 1 2 247.382 3.636 20 0 BHADLO Cc1ccc([N@@H+](C[C@H]2CCCOC2)C(C)C)cc1 ZINC000761249056 585412335 /nfs/dbraw/zinc/41/23/35/585412335.db2.gz FGJJUULYHWRIOP-OAHLLOKOSA-N 1 2 247.382 3.636 20 0 BHADLO CC[N@@H+](C[C@@H]1CCCOC1)c1ccc(C)cc1C ZINC000761262632 585413031 /nfs/dbraw/zinc/41/30/31/585413031.db2.gz YSZJXRZTQYRBQK-HNNXBMFYSA-N 1 2 247.382 3.556 20 0 BHADLO CC[N@H+](C[C@@H]1CCCOC1)c1ccc(C)cc1C ZINC000761262632 585413030 /nfs/dbraw/zinc/41/30/30/585413030.db2.gz YSZJXRZTQYRBQK-HNNXBMFYSA-N 1 2 247.382 3.556 20 0 BHADLO CC[N@@H+](C[C@H]1CCCOC1)c1ccc(C)cc1C ZINC000761262635 585412896 /nfs/dbraw/zinc/41/28/96/585412896.db2.gz YSZJXRZTQYRBQK-OAHLLOKOSA-N 1 2 247.382 3.556 20 0 BHADLO CC[N@H+](C[C@H]1CCCOC1)c1ccc(C)cc1C ZINC000761262635 585412895 /nfs/dbraw/zinc/41/28/95/585412895.db2.gz YSZJXRZTQYRBQK-OAHLLOKOSA-N 1 2 247.382 3.556 20 0 BHADLO CCC(CC)SCc1cc[nH+]c(N(C)C)c1 ZINC000762475243 585432774 /nfs/dbraw/zinc/43/27/74/585432774.db2.gz NIHRRADLIBDNHY-UHFFFAOYSA-N 1 2 238.400 3.569 20 0 BHADLO CCCCCSCc1cc[nH+]c(N(C)C)c1 ZINC000762478161 585432857 /nfs/dbraw/zinc/43/28/57/585432857.db2.gz SWVAZOZOLLHACN-UHFFFAOYSA-N 1 2 238.400 3.571 20 0 BHADLO CCC(CC)(CC)SCc1c[nH+]cn1C ZINC000762971818 585440463 /nfs/dbraw/zinc/44/04/63/585440463.db2.gz DVBJMRRYOHQPDX-UHFFFAOYSA-N 1 2 226.389 3.622 20 0 BHADLO COCCCC[N@@H+](C)c1ccc(C(C)C)cc1 ZINC000763426926 585448448 /nfs/dbraw/zinc/44/84/48/585448448.db2.gz JUCTZQKDROVLHW-UHFFFAOYSA-N 1 2 235.371 3.673 20 0 BHADLO COCCCC[N@H+](C)c1ccc(C(C)C)cc1 ZINC000763426926 585448447 /nfs/dbraw/zinc/44/84/47/585448447.db2.gz JUCTZQKDROVLHW-UHFFFAOYSA-N 1 2 235.371 3.673 20 0 BHADLO CC(C)c1ccc([N@@H+](C)CCCCCCO)cc1 ZINC000763432258 585448344 /nfs/dbraw/zinc/44/83/44/585448344.db2.gz SLFDYSISAHZVJR-UHFFFAOYSA-N 1 2 249.398 3.799 20 0 BHADLO CC(C)c1ccc([N@H+](C)CCCCCCO)cc1 ZINC000763432258 585448343 /nfs/dbraw/zinc/44/83/43/585448343.db2.gz SLFDYSISAHZVJR-UHFFFAOYSA-N 1 2 249.398 3.799 20 0 BHADLO CC[N@@H+](C/C(Cl)=C/Cl)Cc1ccccc1 ZINC000763475842 585448571 /nfs/dbraw/zinc/44/85/71/585448571.db2.gz HQOORFWCAZSCNY-WQLSENKSSA-N 1 2 244.165 3.828 20 0 BHADLO CC[N@H+](C/C(Cl)=C/Cl)Cc1ccccc1 ZINC000763475842 585448570 /nfs/dbraw/zinc/44/85/70/585448570.db2.gz HQOORFWCAZSCNY-WQLSENKSSA-N 1 2 244.165 3.828 20 0 BHADLO CC[N@@H+](C/C(Cl)=C\Cl)Cc1ccccc1 ZINC000763475849 585448535 /nfs/dbraw/zinc/44/85/35/585448535.db2.gz HQOORFWCAZSCNY-XYOKQWHBSA-N 1 2 244.165 3.828 20 0 BHADLO CC[N@H+](C/C(Cl)=C\Cl)Cc1ccccc1 ZINC000763475849 585448534 /nfs/dbraw/zinc/44/85/34/585448534.db2.gz HQOORFWCAZSCNY-XYOKQWHBSA-N 1 2 244.165 3.828 20 0 BHADLO Cc1ccc(C[N@@H+](C)C/C(Cl)=C/Cl)cc1 ZINC000763477355 585448568 /nfs/dbraw/zinc/44/85/68/585448568.db2.gz PTYWBQGVKYNWDQ-GHXNOFRVSA-N 1 2 244.165 3.746 20 0 BHADLO Cc1ccc(C[N@H+](C)C/C(Cl)=C/Cl)cc1 ZINC000763477355 585448567 /nfs/dbraw/zinc/44/85/67/585448567.db2.gz PTYWBQGVKYNWDQ-GHXNOFRVSA-N 1 2 244.165 3.746 20 0 BHADLO Cc1ccc(C[N@@H+](C)C/C(Cl)=C\Cl)cc1 ZINC000763477356 585448525 /nfs/dbraw/zinc/44/85/25/585448525.db2.gz PTYWBQGVKYNWDQ-KPKJPENVSA-N 1 2 244.165 3.746 20 0 BHADLO Cc1ccc(C[N@H+](C)C/C(Cl)=C\Cl)cc1 ZINC000763477356 585448524 /nfs/dbraw/zinc/44/85/24/585448524.db2.gz PTYWBQGVKYNWDQ-KPKJPENVSA-N 1 2 244.165 3.746 20 0 BHADLO C[N@@H+](C/C(Cl)=C/Cl)Cc1cccc(F)c1 ZINC000763479606 585448909 /nfs/dbraw/zinc/44/89/09/585448909.db2.gz WKZRXORLUXJZCS-POHAHGRESA-N 1 2 248.128 3.577 20 0 BHADLO C[N@H+](C/C(Cl)=C/Cl)Cc1cccc(F)c1 ZINC000763479606 585448908 /nfs/dbraw/zinc/44/89/08/585448908.db2.gz WKZRXORLUXJZCS-POHAHGRESA-N 1 2 248.128 3.577 20 0 BHADLO C[N@@H+](C/C(Cl)=C\Cl)Cc1cccc(F)c1 ZINC000763479610 585448857 /nfs/dbraw/zinc/44/88/57/585448857.db2.gz WKZRXORLUXJZCS-UXBLZVDNSA-N 1 2 248.128 3.577 20 0 BHADLO C[N@H+](C/C(Cl)=C\Cl)Cc1cccc(F)c1 ZINC000763479610 585448856 /nfs/dbraw/zinc/44/88/56/585448856.db2.gz WKZRXORLUXJZCS-UXBLZVDNSA-N 1 2 248.128 3.577 20 0 BHADLO Cc1cccc(C[N@@H+](C)C/C(Cl)=C/Cl)c1 ZINC000763491682 585448912 /nfs/dbraw/zinc/44/89/12/585448912.db2.gz BMOMPNFYXOIPEA-GHXNOFRVSA-N 1 2 244.165 3.746 20 0 BHADLO Cc1cccc(C[N@H+](C)C/C(Cl)=C/Cl)c1 ZINC000763491682 585448911 /nfs/dbraw/zinc/44/89/11/585448911.db2.gz BMOMPNFYXOIPEA-GHXNOFRVSA-N 1 2 244.165 3.746 20 0 BHADLO Cc1cccc(C[N@@H+](C)C/C(Cl)=C\Cl)c1 ZINC000763491683 585448993 /nfs/dbraw/zinc/44/89/93/585448993.db2.gz BMOMPNFYXOIPEA-KPKJPENVSA-N 1 2 244.165 3.746 20 0 BHADLO Cc1cccc(C[N@H+](C)C/C(Cl)=C\Cl)c1 ZINC000763491683 585448992 /nfs/dbraw/zinc/44/89/92/585448992.db2.gz BMOMPNFYXOIPEA-KPKJPENVSA-N 1 2 244.165 3.746 20 0 BHADLO CC(C)[N@@H+](C/C(Cl)=C/Cl)Cc1ccco1 ZINC000763506439 585449332 /nfs/dbraw/zinc/44/93/32/585449332.db2.gz FCKGMAWPMUNRFX-POHAHGRESA-N 1 2 248.153 3.809 20 0 BHADLO CC(C)[N@H+](C/C(Cl)=C/Cl)Cc1ccco1 ZINC000763506439 585449331 /nfs/dbraw/zinc/44/93/31/585449331.db2.gz FCKGMAWPMUNRFX-POHAHGRESA-N 1 2 248.153 3.809 20 0 BHADLO CC(C)[N@@H+](C/C(Cl)=C\Cl)Cc1ccco1 ZINC000763506443 585449462 /nfs/dbraw/zinc/44/94/62/585449462.db2.gz FCKGMAWPMUNRFX-UXBLZVDNSA-N 1 2 248.153 3.809 20 0 BHADLO CC(C)[N@H+](C/C(Cl)=C\Cl)Cc1ccco1 ZINC000763506443 585449461 /nfs/dbraw/zinc/44/94/61/585449461.db2.gz FCKGMAWPMUNRFX-UXBLZVDNSA-N 1 2 248.153 3.809 20 0 BHADLO Cl/C=C(/Cl)C[N@H+]1CC[C@@H]1c1ccccc1 ZINC000763561732 585450726 /nfs/dbraw/zinc/45/07/26/585450726.db2.gz UPHSVAILVCCWGU-JATZPVMKSA-N 1 2 242.149 3.752 20 0 BHADLO Cl/C=C(/Cl)C[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000763561732 585450725 /nfs/dbraw/zinc/45/07/25/585450725.db2.gz UPHSVAILVCCWGU-JATZPVMKSA-N 1 2 242.149 3.752 20 0 BHADLO Cl/C=C(\Cl)C[N@H+]1CC[C@H]1c1ccccc1 ZINC000763561733 585450672 /nfs/dbraw/zinc/45/06/72/585450672.db2.gz UPHSVAILVCCWGU-KGTBHZDVSA-N 1 2 242.149 3.752 20 0 BHADLO Cl/C=C(\Cl)C[N@@H+]1CC[C@H]1c1ccccc1 ZINC000763561733 585450671 /nfs/dbraw/zinc/45/06/71/585450671.db2.gz UPHSVAILVCCWGU-KGTBHZDVSA-N 1 2 242.149 3.752 20 0 BHADLO Cl/C=C(\Cl)C[N@H+]1CC[C@@H]1c1ccccc1 ZINC000763561734 585450751 /nfs/dbraw/zinc/45/07/51/585450751.db2.gz UPHSVAILVCCWGU-NXIHDVOMSA-N 1 2 242.149 3.752 20 0 BHADLO Cl/C=C(\Cl)C[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000763561734 585450750 /nfs/dbraw/zinc/45/07/50/585450750.db2.gz UPHSVAILVCCWGU-NXIHDVOMSA-N 1 2 242.149 3.752 20 0 BHADLO Cl/C=C(/Cl)C[N@H+]1CC[C@H]1c1ccccc1 ZINC000763561735 585450713 /nfs/dbraw/zinc/45/07/13/585450713.db2.gz UPHSVAILVCCWGU-OBIHZWKSSA-N 1 2 242.149 3.752 20 0 BHADLO Cl/C=C(/Cl)C[N@@H+]1CC[C@H]1c1ccccc1 ZINC000763561735 585450712 /nfs/dbraw/zinc/45/07/12/585450712.db2.gz UPHSVAILVCCWGU-OBIHZWKSSA-N 1 2 242.149 3.752 20 0 BHADLO CC[C@H](C)C[NH2+]c1ccc(OCC(F)F)cc1 ZINC000764619474 585469233 /nfs/dbraw/zinc/46/92/33/585469233.db2.gz YWYUIHFRPMRDFK-JTQLQIEISA-N 1 2 243.297 3.789 20 0 BHADLO CC[C@@H](C)C[NH2+]c1ccc(OCC(F)F)cc1 ZINC000764619475 585469183 /nfs/dbraw/zinc/46/91/83/585469183.db2.gz YWYUIHFRPMRDFK-SNVBAGLBSA-N 1 2 243.297 3.789 20 0 BHADLO Cc1ccc([N@@H+](C)CCCC2CCOCC2)cc1 ZINC000765950002 585494271 /nfs/dbraw/zinc/49/42/71/585494271.db2.gz NHKDBANMXGDQGV-UHFFFAOYSA-N 1 2 247.382 3.638 20 0 BHADLO Cc1ccc([N@H+](C)CCCC2CCOCC2)cc1 ZINC000765950002 585494270 /nfs/dbraw/zinc/49/42/70/585494270.db2.gz NHKDBANMXGDQGV-UHFFFAOYSA-N 1 2 247.382 3.638 20 0 BHADLO Cc1cc(NCC2(C)CCC2)ccc1[NH+](C)C ZINC000766213211 585499070 /nfs/dbraw/zinc/49/90/70/585499070.db2.gz MEXURWAPDPORAZ-UHFFFAOYSA-N 1 2 232.371 3.663 20 0 BHADLO Cc1cc(CNc2ccc(C)[nH+]c2C)c(C)o1 ZINC000767392470 585519132 /nfs/dbraw/zinc/51/91/32/585519132.db2.gz IKIFXLYTAPHHTR-UHFFFAOYSA-N 1 2 230.311 3.520 20 0 BHADLO Fc1ccccc1C[N@@H+](Cc1ccoc1)C1CC1 ZINC000768204404 585533676 /nfs/dbraw/zinc/53/36/76/585533676.db2.gz XLZRPFIQXHFRRF-UHFFFAOYSA-N 1 2 245.297 3.583 20 0 BHADLO Fc1ccccc1C[N@H+](Cc1ccoc1)C1CC1 ZINC000768204404 585533675 /nfs/dbraw/zinc/53/36/75/585533675.db2.gz XLZRPFIQXHFRRF-UHFFFAOYSA-N 1 2 245.297 3.583 20 0 BHADLO CC1CC([NH2+]c2ccc(OCC(F)F)cc2)C1 ZINC000768249400 585534786 /nfs/dbraw/zinc/53/47/86/585534786.db2.gz QMUGJOMOUQLCIK-UHFFFAOYSA-N 1 2 241.281 3.541 20 0 BHADLO CC1CC([NH2+]c2ccc3c(c2)CC(C)(C)O3)C1 ZINC000768251095 585534817 /nfs/dbraw/zinc/53/48/17/585534817.db2.gz DDJMDFXGJILKGD-UHFFFAOYSA-N 1 2 231.339 3.611 20 0 BHADLO CCc1ccc([N@@H+](CC)C[C@@H]2CCCOC2)cc1 ZINC000768542161 585540064 /nfs/dbraw/zinc/54/00/64/585540064.db2.gz ODGQEBAEZPXSHP-HNNXBMFYSA-N 1 2 247.382 3.502 20 0 BHADLO CCc1ccc([N@H+](CC)C[C@@H]2CCCOC2)cc1 ZINC000768542161 585540063 /nfs/dbraw/zinc/54/00/63/585540063.db2.gz ODGQEBAEZPXSHP-HNNXBMFYSA-N 1 2 247.382 3.502 20 0 BHADLO CCc1ccc([N@@H+](CC)C[C@H]2CCCOC2)cc1 ZINC000768542162 585539767 /nfs/dbraw/zinc/53/97/67/585539767.db2.gz ODGQEBAEZPXSHP-OAHLLOKOSA-N 1 2 247.382 3.502 20 0 BHADLO CCc1ccc([N@H+](CC)C[C@H]2CCCOC2)cc1 ZINC000768542162 585539766 /nfs/dbraw/zinc/53/97/66/585539766.db2.gz ODGQEBAEZPXSHP-OAHLLOKOSA-N 1 2 247.382 3.502 20 0 BHADLO C[C@H](CCC1CC1)[NH2+]c1ccc2c(c1)CCO2 ZINC000769410033 585556087 /nfs/dbraw/zinc/55/60/87/585556087.db2.gz LMFVAYWHLQKMRC-LLVKDONJSA-N 1 2 231.339 3.612 20 0 BHADLO C[C@@H](CCC1CC1)[NH2+]c1ccc2c(c1)CCO2 ZINC000769410037 585556053 /nfs/dbraw/zinc/55/60/53/585556053.db2.gz LMFVAYWHLQKMRC-NSHDSACASA-N 1 2 231.339 3.612 20 0 BHADLO C[C@H](CCC1CC1)Nc1ccc([NH+](C)C)cc1 ZINC000769415184 585556172 /nfs/dbraw/zinc/55/61/72/585556172.db2.gz WDJPJGZRWUARBM-GFCCVEGCSA-N 1 2 232.371 3.743 20 0 BHADLO C[C@H](CCC1CC1)[NH2+]c1ccc(N(C)C)cc1 ZINC000769415184 585556171 /nfs/dbraw/zinc/55/61/71/585556171.db2.gz WDJPJGZRWUARBM-GFCCVEGCSA-N 1 2 232.371 3.743 20 0 BHADLO C[C@@H](CCC1CC1)Nc1ccc([NH+](C)C)cc1 ZINC000769415186 585556188 /nfs/dbraw/zinc/55/61/88/585556188.db2.gz WDJPJGZRWUARBM-LBPRGKRZSA-N 1 2 232.371 3.743 20 0 BHADLO C[C@@H](CCC1CC1)[NH2+]c1ccc(N(C)C)cc1 ZINC000769415186 585556187 /nfs/dbraw/zinc/55/61/87/585556187.db2.gz WDJPJGZRWUARBM-LBPRGKRZSA-N 1 2 232.371 3.743 20 0 BHADLO COc1ccc([NH2+][C@H](C)CCC2CC2)c(OC)c1 ZINC000769415883 585555963 /nfs/dbraw/zinc/55/59/63/585555963.db2.gz XNHLRTVLKFZTJT-LLVKDONJSA-N 1 2 249.354 3.694 20 0 BHADLO COc1ccc([NH2+][C@@H](C)CCC2CC2)c(OC)c1 ZINC000769415885 585556133 /nfs/dbraw/zinc/55/61/33/585556133.db2.gz XNHLRTVLKFZTJT-NSHDSACASA-N 1 2 249.354 3.694 20 0 BHADLO C[N@@H+](C/C=C\Cl)Cc1cc(Cl)ccc1F ZINC000769856340 585565223 /nfs/dbraw/zinc/56/52/23/585565223.db2.gz WHMDXKGWGCTTRY-DJWKRKHSSA-N 1 2 248.128 3.663 20 0 BHADLO C[N@H+](C/C=C\Cl)Cc1cc(Cl)ccc1F ZINC000769856340 585565222 /nfs/dbraw/zinc/56/52/22/585565222.db2.gz WHMDXKGWGCTTRY-DJWKRKHSSA-N 1 2 248.128 3.663 20 0 BHADLO C[N@@H+](C/C=C/Cl)Cc1cc(Cl)ccc1F ZINC000769856341 585565188 /nfs/dbraw/zinc/56/51/88/585565188.db2.gz WHMDXKGWGCTTRY-GORDUTHDSA-N 1 2 248.128 3.663 20 0 BHADLO C[N@H+](C/C=C/Cl)Cc1cc(Cl)ccc1F ZINC000769856341 585565187 /nfs/dbraw/zinc/56/51/87/585565187.db2.gz WHMDXKGWGCTTRY-GORDUTHDSA-N 1 2 248.128 3.663 20 0 BHADLO Cc1ccc(NCc2cnc3ccccc3c2)c[nH+]1 ZINC000769927243 585566653 /nfs/dbraw/zinc/56/66/53/585566653.db2.gz GSCSMOBBINXBMD-UHFFFAOYSA-N 1 2 249.317 3.550 20 0 BHADLO Cc1ccc(NCc2nccc3ccccc32)c[nH+]1 ZINC000769928119 585566745 /nfs/dbraw/zinc/56/67/45/585566745.db2.gz LMMCWBJAWVJGGX-UHFFFAOYSA-N 1 2 249.317 3.550 20 0 BHADLO C[N@H+]1CCCc2cc(NCC(C)(C)C)ccc21 ZINC000770540551 585575955 /nfs/dbraw/zinc/57/59/55/585575955.db2.gz HXZCNWNMKYGQSU-UHFFFAOYSA-N 1 2 232.371 3.527 20 0 BHADLO C[N@@H+]1CCCc2cc(NCC(C)(C)C)ccc21 ZINC000770540551 585575954 /nfs/dbraw/zinc/57/59/54/585575954.db2.gz HXZCNWNMKYGQSU-UHFFFAOYSA-N 1 2 232.371 3.527 20 0 BHADLO Clc1cnc(C[NH+]2CCCCCCC2)s1 ZINC000770613663 585577371 /nfs/dbraw/zinc/57/73/71/585577371.db2.gz VVAVLFKFJOOLTJ-UHFFFAOYSA-N 1 2 244.791 3.563 20 0 BHADLO CC[C@@H](C)CNc1ccc2c(c1)CCC[N@@H+]2C ZINC000771852564 585602576 /nfs/dbraw/zinc/60/25/76/585602576.db2.gz ZSZFGEXZXCTQOA-GFCCVEGCSA-N 1 2 232.371 3.527 20 0 BHADLO CC[C@@H](C)CNc1ccc2c(c1)CCC[N@H+]2C ZINC000771852564 585602575 /nfs/dbraw/zinc/60/25/75/585602575.db2.gz ZSZFGEXZXCTQOA-GFCCVEGCSA-N 1 2 232.371 3.527 20 0 BHADLO CC[C@H](C)CNc1ccc2c(c1)CCC[N@@H+]2C ZINC000771852565 585602580 /nfs/dbraw/zinc/60/25/80/585602580.db2.gz ZSZFGEXZXCTQOA-LBPRGKRZSA-N 1 2 232.371 3.527 20 0 BHADLO CC[C@H](C)CNc1ccc2c(c1)CCC[N@H+]2C ZINC000771852565 585602579 /nfs/dbraw/zinc/60/25/79/585602579.db2.gz ZSZFGEXZXCTQOA-LBPRGKRZSA-N 1 2 232.371 3.527 20 0 BHADLO CCCCCCC(=O)OCc1ccc(C)[nH+]c1C ZINC000772016236 585607009 /nfs/dbraw/zinc/60/70/09/585607009.db2.gz CHLRVIZMOOYPCZ-UHFFFAOYSA-N 1 2 249.354 3.712 20 0 BHADLO CCC[C@@H](C)CC(=O)OCc1ccc(C)[nH+]c1C ZINC000772065527 585607929 /nfs/dbraw/zinc/60/79/29/585607929.db2.gz IWTBLOFUVJXALP-LLVKDONJSA-N 1 2 249.354 3.568 20 0 BHADLO CCC[C@H](C)CC(=O)OCc1ccc(C)[nH+]c1C ZINC000772065529 585608012 /nfs/dbraw/zinc/60/80/12/585608012.db2.gz IWTBLOFUVJXALP-NSHDSACASA-N 1 2 249.354 3.568 20 0 BHADLO Cc1ccc(COC(=O)CCC(C)(C)C)c(C)[nH+]1 ZINC000772141663 585609176 /nfs/dbraw/zinc/60/91/76/585609176.db2.gz VRTCPXYWBRUMBY-UHFFFAOYSA-N 1 2 249.354 3.568 20 0 BHADLO CCC(C)(C)CC(=O)OCc1ccc(C)[nH+]c1C ZINC000772167257 585609334 /nfs/dbraw/zinc/60/93/34/585609334.db2.gz VPWBASDCGJURRO-UHFFFAOYSA-N 1 2 249.354 3.568 20 0 BHADLO CCC(CC)CC(=O)OCc1ccc(C)[nH+]c1C ZINC000772187543 585609637 /nfs/dbraw/zinc/60/96/37/585609637.db2.gz KIMFWANXOCDQEX-UHFFFAOYSA-N 1 2 249.354 3.568 20 0 BHADLO CCC(C)(CC)C(=O)OCc1ccc(C)[nH+]c1C ZINC000772364287 585613480 /nfs/dbraw/zinc/61/34/80/585613480.db2.gz VCJWGLMOPXYQFP-UHFFFAOYSA-N 1 2 249.354 3.568 20 0 BHADLO Cc1[nH+]cccc1NCc1cnc2ccccc2c1 ZINC000772933992 585627830 /nfs/dbraw/zinc/62/78/30/585627830.db2.gz QORGSLMKTLAXMZ-UHFFFAOYSA-N 1 2 249.317 3.550 20 0 BHADLO Cc1cc[nH+]cc1NCc1cnc2ccccc2c1 ZINC000772944575 585628009 /nfs/dbraw/zinc/62/80/09/585628009.db2.gz XEHYMYUKJVEHHE-UHFFFAOYSA-N 1 2 249.317 3.550 20 0 BHADLO Cc1c[nH+]cc(NCc2nccc3ccccc32)c1 ZINC000772951156 585628081 /nfs/dbraw/zinc/62/80/81/585628081.db2.gz DMBUCAKHLYFULW-UHFFFAOYSA-N 1 2 249.317 3.550 20 0 BHADLO Cc1c[nH+]cc(NCc2cnc3ccccc3c2)c1 ZINC000772952219 585628329 /nfs/dbraw/zinc/62/83/29/585628329.db2.gz ITJNOVZAGKFUGI-UHFFFAOYSA-N 1 2 249.317 3.550 20 0 BHADLO CC(C)c1cnc(C[NH2+][C@H](C)c2ccccc2)o1 ZINC000774771759 585035958 /nfs/dbraw/zinc/03/59/58/585035958.db2.gz IXKNCPCKPAGSIE-GFCCVEGCSA-N 1 2 244.338 3.649 20 0 BHADLO CC(C)c1cnc(C[NH2+][C@@H](C)c2ccccc2)o1 ZINC000774771768 585036043 /nfs/dbraw/zinc/03/60/43/585036043.db2.gz IXKNCPCKPAGSIE-LBPRGKRZSA-N 1 2 244.338 3.649 20 0 BHADLO Cc1ccc(N(C)Cc2ccc(C)[nH+]c2C)cc1 ZINC000775591254 585681084 /nfs/dbraw/zinc/68/10/84/585681084.db2.gz WSFQLQWSOAJOOM-UHFFFAOYSA-N 1 2 240.350 3.643 20 0 BHADLO Clc1ccc2c(c1)[C@H](Nc1cccc[nH+]1)CC2 ZINC000776790496 585705832 /nfs/dbraw/zinc/70/58/32/585705832.db2.gz CRKIWCOPXMYJDX-CYBMUJFWSA-N 1 2 244.725 3.834 20 0 BHADLO Clc1ccc2c(c1)[C@@H](Nc1cccc[nH+]1)CC2 ZINC000776790497 585705730 /nfs/dbraw/zinc/70/57/30/585705730.db2.gz CRKIWCOPXMYJDX-ZDUSSCGKSA-N 1 2 244.725 3.834 20 0 BHADLO CC(C)(C)C[N@@H+](CCCCCO)c1ccccc1 ZINC000776813037 585705994 /nfs/dbraw/zinc/70/59/94/585705994.db2.gz RKYHTTZNAFCNBU-UHFFFAOYSA-N 1 2 249.398 3.702 20 0 BHADLO CC(C)(C)C[N@H+](CCCCCO)c1ccccc1 ZINC000776813037 585705993 /nfs/dbraw/zinc/70/59/93/585705993.db2.gz RKYHTTZNAFCNBU-UHFFFAOYSA-N 1 2 249.398 3.702 20 0 BHADLO CC(C)CCn1cc[nH+]c1-c1ccnc(Cl)c1 ZINC000776831998 585705841 /nfs/dbraw/zinc/70/58/41/585705841.db2.gz SGFGMXZBKXNNJT-UHFFFAOYSA-N 1 2 249.745 3.645 20 0 BHADLO CCCCCn1cc[nH+]c1-c1ccnc(Cl)c1 ZINC000776832165 585706080 /nfs/dbraw/zinc/70/60/80/585706080.db2.gz DNMUOJBMVISXCX-UHFFFAOYSA-N 1 2 249.745 3.789 20 0 BHADLO CC(C)[C@H](C)[NH2+]c1ccc(OCC(F)F)cc1 ZINC000777132588 585708908 /nfs/dbraw/zinc/70/89/08/585708908.db2.gz CMCUYANNTIUCNY-JTQLQIEISA-N 1 2 243.297 3.787 20 0 BHADLO CC(C)[C@@H](C)[NH2+]c1ccc(OCC(F)F)cc1 ZINC000777132597 585708967 /nfs/dbraw/zinc/70/89/67/585708967.db2.gz CMCUYANNTIUCNY-SNVBAGLBSA-N 1 2 243.297 3.787 20 0 BHADLO CCC(CC)[NH2+]c1ccc(OCC(F)F)cc1 ZINC000777134345 585708959 /nfs/dbraw/zinc/70/89/59/585708959.db2.gz ZIGZWMIFVAOUIY-UHFFFAOYSA-N 1 2 243.297 3.931 20 0 BHADLO CCC[C@H](C)[NH2+]c1ccc(OCC(F)F)cc1 ZINC000777134544 585709047 /nfs/dbraw/zinc/70/90/47/585709047.db2.gz UZXAANRFOUSEEF-JTQLQIEISA-N 1 2 243.297 3.931 20 0 BHADLO CCC[C@@H](C)[NH2+]c1ccc(OCC(F)F)cc1 ZINC000777134545 585709054 /nfs/dbraw/zinc/70/90/54/585709054.db2.gz UZXAANRFOUSEEF-SNVBAGLBSA-N 1 2 243.297 3.931 20 0 BHADLO Cc1ccc2c(c1)CC[C@@H]2Nc1ccc(C)[nH+]c1 ZINC000777234976 585709858 /nfs/dbraw/zinc/70/98/58/585709858.db2.gz NILIIGZLLIFMHN-INIZCTEOSA-N 1 2 238.334 3.798 20 0 BHADLO Cc1ccc2c(c1)CC[C@H]2Nc1ccc(C)[nH+]c1 ZINC000777234992 585709747 /nfs/dbraw/zinc/70/97/47/585709747.db2.gz NILIIGZLLIFMHN-MRXNPFEDSA-N 1 2 238.334 3.798 20 0 BHADLO Cc1ccc(N[C@@H](C)c2ccnc(Cl)c2)c[nH+]1 ZINC000777236203 585709804 /nfs/dbraw/zinc/70/98/04/585709804.db2.gz UNSGJGDBJALWKX-JTQLQIEISA-N 1 2 247.729 3.612 20 0 BHADLO Cc1ccc(N[C@H](C)c2ccnc(Cl)c2)c[nH+]1 ZINC000777236204 585709823 /nfs/dbraw/zinc/70/98/23/585709823.db2.gz UNSGJGDBJALWKX-SNVBAGLBSA-N 1 2 247.729 3.612 20 0 BHADLO CCC[N@H+](Cc1ccc(CF)cc1)CC(F)F ZINC000777572682 585715664 /nfs/dbraw/zinc/71/56/64/585715664.db2.gz METWVHSGYYVKHG-UHFFFAOYSA-N 1 2 245.288 3.633 20 0 BHADLO CCC[N@@H+](Cc1ccc(CF)cc1)CC(F)F ZINC000777572682 585715663 /nfs/dbraw/zinc/71/56/63/585715663.db2.gz METWVHSGYYVKHG-UHFFFAOYSA-N 1 2 245.288 3.633 20 0 BHADLO CC(C)[N@H+](Cc1ccc(CF)cc1)CC(F)F ZINC000777605856 585716938 /nfs/dbraw/zinc/71/69/38/585716938.db2.gz WZJDMGUTRBMGGK-UHFFFAOYSA-N 1 2 245.288 3.632 20 0 BHADLO CC(C)[N@@H+](Cc1ccc(CF)cc1)CC(F)F ZINC000777605856 585716937 /nfs/dbraw/zinc/71/69/37/585716937.db2.gz WZJDMGUTRBMGGK-UHFFFAOYSA-N 1 2 245.288 3.632 20 0 BHADLO Cc1cc(N[C@H](C)c2ccco2)ccc1[NH+](C)C ZINC000777641749 585717853 /nfs/dbraw/zinc/71/78/53/585717853.db2.gz SYCZHZALVXDWRJ-GFCCVEGCSA-N 1 2 244.338 3.827 20 0 BHADLO Cc1cc(N[C@@H](C)c2ccco2)ccc1[NH+](C)C ZINC000777641750 585717752 /nfs/dbraw/zinc/71/77/52/585717752.db2.gz SYCZHZALVXDWRJ-LBPRGKRZSA-N 1 2 244.338 3.827 20 0 BHADLO Cc1cc(N[C@H](C)C(C)(C)C)ccc1[NH+](C)C ZINC000777642744 585717903 /nfs/dbraw/zinc/71/79/03/585717903.db2.gz DBGQQEGTHOMSIQ-GFCCVEGCSA-N 1 2 234.387 3.908 20 0 BHADLO Cc1cc(N[C@@H](C)C(C)(C)C)ccc1[NH+](C)C ZINC000777642748 585717889 /nfs/dbraw/zinc/71/78/89/585717889.db2.gz DBGQQEGTHOMSIQ-LBPRGKRZSA-N 1 2 234.387 3.908 20 0 BHADLO Cc1cc(N[C@H](C)C2CCC2)ccc1[NH+](C)C ZINC000777643427 585717669 /nfs/dbraw/zinc/71/76/69/585717669.db2.gz OCNQKGCTEFGXPB-GFCCVEGCSA-N 1 2 232.371 3.662 20 0 BHADLO Cc1cc(N[C@@H](C)C2CCC2)ccc1[NH+](C)C ZINC000777643428 585717807 /nfs/dbraw/zinc/71/78/07/585717807.db2.gz OCNQKGCTEFGXPB-LBPRGKRZSA-N 1 2 232.371 3.662 20 0 BHADLO CC[C@H](Nc1ccc([NH+](C)C)c(C)c1)C1CC1 ZINC000777643461 585717817 /nfs/dbraw/zinc/71/78/17/585717817.db2.gz OYIYSWCVHGQGPS-AWEZNQCLSA-N 1 2 232.371 3.662 20 0 BHADLO CC[C@H]([NH2+]c1ccc(N(C)C)c(C)c1)C1CC1 ZINC000777643461 585717816 /nfs/dbraw/zinc/71/78/16/585717816.db2.gz OYIYSWCVHGQGPS-AWEZNQCLSA-N 1 2 232.371 3.662 20 0 BHADLO CC[C@@H](Nc1ccc([NH+](C)C)c(C)c1)C1CC1 ZINC000777643462 585717787 /nfs/dbraw/zinc/71/77/87/585717787.db2.gz OYIYSWCVHGQGPS-CQSZACIVSA-N 1 2 232.371 3.662 20 0 BHADLO CC[C@@H]([NH2+]c1ccc(N(C)C)c(C)c1)C1CC1 ZINC000777643462 585717786 /nfs/dbraw/zinc/71/77/86/585717786.db2.gz OYIYSWCVHGQGPS-CQSZACIVSA-N 1 2 232.371 3.662 20 0 BHADLO Cc1cc(NC(C2CC2)C2CC2)ccc1[NH+](C)C ZINC000777643671 585717895 /nfs/dbraw/zinc/71/78/95/585717895.db2.gz UVNUGSVJBRMWOB-UHFFFAOYSA-N 1 2 244.382 3.662 20 0 BHADLO Cc1cc([NH2+]C(C2CC2)C2CC2)ccc1N(C)C ZINC000777643671 585717894 /nfs/dbraw/zinc/71/78/94/585717894.db2.gz UVNUGSVJBRMWOB-UHFFFAOYSA-N 1 2 244.382 3.662 20 0 BHADLO C[C@@H](Nc1ccc2c(c1)CCC[N@@H+]2C)C1CCC1 ZINC000777653776 585718032 /nfs/dbraw/zinc/71/80/32/585718032.db2.gz SEVYQEAKGQLJMV-GFCCVEGCSA-N 1 2 244.382 3.670 20 0 BHADLO C[C@@H](Nc1ccc2c(c1)CCC[N@H+]2C)C1CCC1 ZINC000777653776 585718031 /nfs/dbraw/zinc/71/80/31/585718031.db2.gz SEVYQEAKGQLJMV-GFCCVEGCSA-N 1 2 244.382 3.670 20 0 BHADLO C[C@@H]([NH2+]c1ccc2c(c1)CCCN2C)C1CCC1 ZINC000777653776 585718030 /nfs/dbraw/zinc/71/80/30/585718030.db2.gz SEVYQEAKGQLJMV-GFCCVEGCSA-N 1 2 244.382 3.670 20 0 BHADLO C[C@H](Nc1ccc2c(c1)CCC[N@@H+]2C)C1CCC1 ZINC000777653777 585717990 /nfs/dbraw/zinc/71/79/90/585717990.db2.gz SEVYQEAKGQLJMV-LBPRGKRZSA-N 1 2 244.382 3.670 20 0 BHADLO C[C@H](Nc1ccc2c(c1)CCC[N@H+]2C)C1CCC1 ZINC000777653777 585717989 /nfs/dbraw/zinc/71/79/89/585717989.db2.gz SEVYQEAKGQLJMV-LBPRGKRZSA-N 1 2 244.382 3.670 20 0 BHADLO C[C@H]([NH2+]c1ccc2c(c1)CCCN2C)C1CCC1 ZINC000777653777 585717988 /nfs/dbraw/zinc/71/79/88/585717988.db2.gz SEVYQEAKGQLJMV-LBPRGKRZSA-N 1 2 244.382 3.670 20 0 BHADLO CC[C@H](Nc1ccc2c(c1)CCC[N@@H+]2C)C1CC1 ZINC000777655153 585718141 /nfs/dbraw/zinc/71/81/41/585718141.db2.gz HBXXZBCZNGAENL-HNNXBMFYSA-N 1 2 244.382 3.670 20 0 BHADLO CC[C@H](Nc1ccc2c(c1)CCC[N@H+]2C)C1CC1 ZINC000777655153 585718140 /nfs/dbraw/zinc/71/81/40/585718140.db2.gz HBXXZBCZNGAENL-HNNXBMFYSA-N 1 2 244.382 3.670 20 0 BHADLO CC[C@H]([NH2+]c1ccc2c(c1)CCCN2C)C1CC1 ZINC000777655153 585718139 /nfs/dbraw/zinc/71/81/39/585718139.db2.gz HBXXZBCZNGAENL-HNNXBMFYSA-N 1 2 244.382 3.670 20 0 BHADLO CC[C@@H](Nc1ccc2c(c1)CCC[N@@H+]2C)C1CC1 ZINC000777655154 585718127 /nfs/dbraw/zinc/71/81/27/585718127.db2.gz HBXXZBCZNGAENL-OAHLLOKOSA-N 1 2 244.382 3.670 20 0 BHADLO CC[C@@H](Nc1ccc2c(c1)CCC[N@H+]2C)C1CC1 ZINC000777655154 585718126 /nfs/dbraw/zinc/71/81/26/585718126.db2.gz HBXXZBCZNGAENL-OAHLLOKOSA-N 1 2 244.382 3.670 20 0 BHADLO CC[C@@H]([NH2+]c1ccc2c(c1)CCCN2C)C1CC1 ZINC000777655154 585718125 /nfs/dbraw/zinc/71/81/25/585718125.db2.gz HBXXZBCZNGAENL-OAHLLOKOSA-N 1 2 244.382 3.670 20 0 BHADLO CC(C)[C@@H](C)Nc1ccc2c(c1)CCC[N@@H+]2C ZINC000777657523 585718300 /nfs/dbraw/zinc/71/83/00/585718300.db2.gz RMLMTFYFOFNZPB-GFCCVEGCSA-N 1 2 232.371 3.525 20 0 BHADLO CC(C)[C@@H](C)Nc1ccc2c(c1)CCC[N@H+]2C ZINC000777657523 585718299 /nfs/dbraw/zinc/71/82/99/585718299.db2.gz RMLMTFYFOFNZPB-GFCCVEGCSA-N 1 2 232.371 3.525 20 0 BHADLO CC(C)[C@H](C)Nc1ccc2c(c1)CCC[N@@H+]2C ZINC000777657526 585718345 /nfs/dbraw/zinc/71/83/45/585718345.db2.gz RMLMTFYFOFNZPB-LBPRGKRZSA-N 1 2 232.371 3.525 20 0 BHADLO CC(C)[C@H](C)Nc1ccc2c(c1)CCC[N@H+]2C ZINC000777657526 585718344 /nfs/dbraw/zinc/71/83/44/585718344.db2.gz RMLMTFYFOFNZPB-LBPRGKRZSA-N 1 2 232.371 3.525 20 0 BHADLO Cc1cc([NH2+][C@H](C)C2CC2)ccc1OC(C)C ZINC000777697200 585718717 /nfs/dbraw/zinc/71/87/17/585718717.db2.gz RYFTZKWOQZXMJU-GFCCVEGCSA-N 1 2 233.355 3.993 20 0 BHADLO Cc1cc([NH2+][C@@H](C)C2CC2)ccc1OC(C)C ZINC000777697201 585718472 /nfs/dbraw/zinc/71/84/72/585718472.db2.gz RYFTZKWOQZXMJU-LBPRGKRZSA-N 1 2 233.355 3.993 20 0 BHADLO C[C@H]([NH2+]c1ccc2c(c1)CC(C)(C)O2)C1CC1 ZINC000777702339 585718552 /nfs/dbraw/zinc/71/85/52/585718552.db2.gz RWVIKIMWMDLMTA-JTQLQIEISA-N 1 2 231.339 3.611 20 0 BHADLO C[C@@H]([NH2+]c1ccc2c(c1)CC(C)(C)O2)C1CC1 ZINC000777702342 585718479 /nfs/dbraw/zinc/71/84/79/585718479.db2.gz RWVIKIMWMDLMTA-SNVBAGLBSA-N 1 2 231.339 3.611 20 0 BHADLO C[N@@H+](CC(F)F)[C@@H]1CCc2cc(Cl)ccc21 ZINC000777981856 585724936 /nfs/dbraw/zinc/72/49/36/585724936.db2.gz LBXDYLDQYVYLJP-LLVKDONJSA-N 1 2 245.700 3.524 20 0 BHADLO C[N@H+](CC(F)F)[C@@H]1CCc2cc(Cl)ccc21 ZINC000777981856 585724935 /nfs/dbraw/zinc/72/49/35/585724935.db2.gz LBXDYLDQYVYLJP-LLVKDONJSA-N 1 2 245.700 3.524 20 0 BHADLO C[N@@H+](CC(F)F)[C@H]1CCc2cc(Cl)ccc21 ZINC000777981862 585724948 /nfs/dbraw/zinc/72/49/48/585724948.db2.gz LBXDYLDQYVYLJP-NSHDSACASA-N 1 2 245.700 3.524 20 0 BHADLO C[N@H+](CC(F)F)[C@H]1CCc2cc(Cl)ccc21 ZINC000777981862 585724947 /nfs/dbraw/zinc/72/49/47/585724947.db2.gz LBXDYLDQYVYLJP-NSHDSACASA-N 1 2 245.700 3.524 20 0 BHADLO CC/C(C)=C(\C)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000779771275 585762019 /nfs/dbraw/zinc/76/20/19/585762019.db2.gz LMDATHSHSLPFSC-FMIVXFBMSA-N 1 2 246.354 3.692 20 0 BHADLO CC/C(C)=C(/C)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000779771276 585761939 /nfs/dbraw/zinc/76/19/39/585761939.db2.gz LMDATHSHSLPFSC-XFXZXTDPSA-N 1 2 246.354 3.692 20 0 BHADLO Cc1ccc([N@H+](C)C[C@H]2CCO[C@H](C)C2)cc1C ZINC000780769392 585784713 /nfs/dbraw/zinc/78/47/13/585784713.db2.gz HHCCAYIRCRSLGC-CABCVRRESA-N 1 2 247.382 3.555 20 0 BHADLO Cc1ccc([N@@H+](C)C[C@H]2CCO[C@H](C)C2)cc1C ZINC000780769392 585784712 /nfs/dbraw/zinc/78/47/12/585784712.db2.gz HHCCAYIRCRSLGC-CABCVRRESA-N 1 2 247.382 3.555 20 0 BHADLO Cc1ccc([N@H+](C)C[C@H]2CCO[C@@H](C)C2)cc1C ZINC000780769393 585784625 /nfs/dbraw/zinc/78/46/25/585784625.db2.gz HHCCAYIRCRSLGC-GJZGRUSLSA-N 1 2 247.382 3.555 20 0 BHADLO Cc1ccc([N@@H+](C)C[C@H]2CCO[C@@H](C)C2)cc1C ZINC000780769393 585784624 /nfs/dbraw/zinc/78/46/24/585784624.db2.gz HHCCAYIRCRSLGC-GJZGRUSLSA-N 1 2 247.382 3.555 20 0 BHADLO Cc1ccc([N@H+](C)C[C@@H]2CCO[C@H](C)C2)cc1C ZINC000780769394 585784751 /nfs/dbraw/zinc/78/47/51/585784751.db2.gz HHCCAYIRCRSLGC-HUUCEWRRSA-N 1 2 247.382 3.555 20 0 BHADLO Cc1ccc([N@@H+](C)C[C@@H]2CCO[C@H](C)C2)cc1C ZINC000780769394 585784750 /nfs/dbraw/zinc/78/47/50/585784750.db2.gz HHCCAYIRCRSLGC-HUUCEWRRSA-N 1 2 247.382 3.555 20 0 BHADLO Cc1ccc([N@H+](C)C[C@@H]2CCO[C@@H](C)C2)cc1C ZINC000780769395 585784777 /nfs/dbraw/zinc/78/47/77/585784777.db2.gz HHCCAYIRCRSLGC-LSDHHAIUSA-N 1 2 247.382 3.555 20 0 BHADLO Cc1ccc([N@@H+](C)C[C@@H]2CCO[C@@H](C)C2)cc1C ZINC000780769395 585784776 /nfs/dbraw/zinc/78/47/76/585784776.db2.gz HHCCAYIRCRSLGC-LSDHHAIUSA-N 1 2 247.382 3.555 20 0 BHADLO CC[C@@H]1C[C@H](C[N@@H+](C)c2ccc(C)cc2)CCO1 ZINC000780769559 585784606 /nfs/dbraw/zinc/78/46/06/585784606.db2.gz VKIWIVGNUSLHDN-GDBMZVCRSA-N 1 2 247.382 3.636 20 0 BHADLO CC[C@@H]1C[C@H](C[N@H+](C)c2ccc(C)cc2)CCO1 ZINC000780769559 585784605 /nfs/dbraw/zinc/78/46/05/585784605.db2.gz VKIWIVGNUSLHDN-GDBMZVCRSA-N 1 2 247.382 3.636 20 0 BHADLO CC[C@@H]1C[C@@H](C[N@@H+](C)c2ccc(C)cc2)CCO1 ZINC000780769560 585784587 /nfs/dbraw/zinc/78/45/87/585784587.db2.gz VKIWIVGNUSLHDN-GOEBONIOSA-N 1 2 247.382 3.636 20 0 BHADLO CC[C@@H]1C[C@@H](C[N@H+](C)c2ccc(C)cc2)CCO1 ZINC000780769560 585784586 /nfs/dbraw/zinc/78/45/86/585784586.db2.gz VKIWIVGNUSLHDN-GOEBONIOSA-N 1 2 247.382 3.636 20 0 BHADLO CC[C@H]1C[C@@H](C[N@@H+](C)c2ccc(C)cc2)CCO1 ZINC000780769561 585784667 /nfs/dbraw/zinc/78/46/67/585784667.db2.gz VKIWIVGNUSLHDN-HOCLYGCPSA-N 1 2 247.382 3.636 20 0 BHADLO CC[C@H]1C[C@@H](C[N@H+](C)c2ccc(C)cc2)CCO1 ZINC000780769561 585784666 /nfs/dbraw/zinc/78/46/66/585784666.db2.gz VKIWIVGNUSLHDN-HOCLYGCPSA-N 1 2 247.382 3.636 20 0 BHADLO CC[C@H]1C[C@H](C[N@@H+](C)c2ccc(C)cc2)CCO1 ZINC000780769562 585784710 /nfs/dbraw/zinc/78/47/10/585784710.db2.gz VKIWIVGNUSLHDN-ZBFHGGJFSA-N 1 2 247.382 3.636 20 0 BHADLO CC[C@H]1C[C@H](C[N@H+](C)c2ccc(C)cc2)CCO1 ZINC000780769562 585784709 /nfs/dbraw/zinc/78/47/09/585784709.db2.gz VKIWIVGNUSLHDN-ZBFHGGJFSA-N 1 2 247.382 3.636 20 0 BHADLO Cc1cc(NCc2ccccc2C(C)C)nc[nH+]1 ZINC000782414674 585817799 /nfs/dbraw/zinc/81/77/99/585817799.db2.gz KTBOEZKGVGJKJL-UHFFFAOYSA-N 1 2 241.338 3.521 20 0 BHADLO CC(C)c1ccccc1CNc1cccc[nH+]1 ZINC000782414679 585817825 /nfs/dbraw/zinc/81/78/25/585817825.db2.gz ROHJXKOKLAWWPV-UHFFFAOYSA-N 1 2 226.323 3.817 20 0 BHADLO Cc1nc(NCc2ccccc2C(C)C)cc[nH+]1 ZINC000782414733 585817762 /nfs/dbraw/zinc/81/77/62/585817762.db2.gz XCYLMILCOBPWAU-UHFFFAOYSA-N 1 2 241.338 3.521 20 0 BHADLO COc1ccc([NH2+]CCCc2ccsc2)cc1 ZINC000782891314 585825626 /nfs/dbraw/zinc/82/56/26/585825626.db2.gz NSZHASDKFZPYHB-UHFFFAOYSA-N 1 2 247.363 3.801 20 0 BHADLO C[C@@H]1CC[C@@H]1[NH2+]c1ccc(OCC(F)F)cc1 ZINC000783277963 585832752 /nfs/dbraw/zinc/83/27/52/585832752.db2.gz VPIGBKLUSUAHNC-SKDRFNHKSA-N 1 2 241.281 3.541 20 0 BHADLO C[C@H]1CC[C@@H]1[NH2+]c1ccc2c(c1)CC(C)(C)O2 ZINC000783284284 585833027 /nfs/dbraw/zinc/83/30/27/585833027.db2.gz AWCHAKBUJAFWCZ-GWCFXTLKSA-N 1 2 231.339 3.611 20 0 BHADLO C[C@H]1CC[C@H]1[NH2+]c1ccc2c(c1)CC(C)(C)O2 ZINC000783284285 585833043 /nfs/dbraw/zinc/83/30/43/585833043.db2.gz AWCHAKBUJAFWCZ-GXFFZTMASA-N 1 2 231.339 3.611 20 0 BHADLO C[C@@H]1CC[C@@H]1[NH2+]c1ccc2c(c1)CC(C)(C)O2 ZINC000783284286 585833182 /nfs/dbraw/zinc/83/31/82/585833182.db2.gz AWCHAKBUJAFWCZ-MFKMUULPSA-N 1 2 231.339 3.611 20 0 BHADLO FC(F)COc1ccc([NH2+]CCC2CC2)cc1 ZINC000783567468 585837337 /nfs/dbraw/zinc/83/73/37/585837337.db2.gz QOXHKMJQPWVFPE-UHFFFAOYSA-N 1 2 241.281 3.543 20 0 BHADLO CC(C)(C)c1nc(NC23CCC(CC2)C3)cc[nH+]1 ZINC000784204455 585852770 /nfs/dbraw/zinc/85/27/70/585852770.db2.gz LAZDTNFAPSNAFV-UHFFFAOYSA-N 1 2 245.370 3.519 20 0 BHADLO CC1(C[NH2+]c2ccc(OCC(F)F)cc2)CC1 ZINC000785482277 585874654 /nfs/dbraw/zinc/87/46/54/585874654.db2.gz MAWKNIHWRJAPQY-UHFFFAOYSA-N 1 2 241.281 3.543 20 0 BHADLO CC1(C[NH2+]c2ccc3c(c2)CC(C)(C)O3)CC1 ZINC000785498754 585874401 /nfs/dbraw/zinc/87/44/01/585874401.db2.gz WIPRVTVHPMRCFP-UHFFFAOYSA-N 1 2 231.339 3.612 20 0 BHADLO CC[N@@H+](C[C@H]1CCO[C@H](C)C1)c1ccc(C)cc1 ZINC000785727322 585879164 /nfs/dbraw/zinc/87/91/64/585879164.db2.gz BQBZSYLWWBHWPZ-CABCVRRESA-N 1 2 247.382 3.636 20 0 BHADLO CC[N@H+](C[C@H]1CCO[C@H](C)C1)c1ccc(C)cc1 ZINC000785727322 585879163 /nfs/dbraw/zinc/87/91/63/585879163.db2.gz BQBZSYLWWBHWPZ-CABCVRRESA-N 1 2 247.382 3.636 20 0 BHADLO CC[N@@H+](C[C@H]1CCO[C@@H](C)C1)c1ccc(C)cc1 ZINC000785727323 585879018 /nfs/dbraw/zinc/87/90/18/585879018.db2.gz BQBZSYLWWBHWPZ-GJZGRUSLSA-N 1 2 247.382 3.636 20 0 BHADLO CC[N@H+](C[C@H]1CCO[C@@H](C)C1)c1ccc(C)cc1 ZINC000785727323 585879017 /nfs/dbraw/zinc/87/90/17/585879017.db2.gz BQBZSYLWWBHWPZ-GJZGRUSLSA-N 1 2 247.382 3.636 20 0 BHADLO CC[N@@H+](C[C@@H]1CCO[C@H](C)C1)c1ccc(C)cc1 ZINC000785727324 585878844 /nfs/dbraw/zinc/87/88/44/585878844.db2.gz BQBZSYLWWBHWPZ-HUUCEWRRSA-N 1 2 247.382 3.636 20 0 BHADLO CC[N@H+](C[C@@H]1CCO[C@H](C)C1)c1ccc(C)cc1 ZINC000785727324 585878843 /nfs/dbraw/zinc/87/88/43/585878843.db2.gz BQBZSYLWWBHWPZ-HUUCEWRRSA-N 1 2 247.382 3.636 20 0 BHADLO CC[N@@H+](C[C@@H]1CCO[C@@H](C)C1)c1ccc(C)cc1 ZINC000785727325 585878955 /nfs/dbraw/zinc/87/89/55/585878955.db2.gz BQBZSYLWWBHWPZ-LSDHHAIUSA-N 1 2 247.382 3.636 20 0 BHADLO CC[N@H+](C[C@@H]1CCO[C@@H](C)C1)c1ccc(C)cc1 ZINC000785727325 585878954 /nfs/dbraw/zinc/87/89/54/585878954.db2.gz BQBZSYLWWBHWPZ-LSDHHAIUSA-N 1 2 247.382 3.636 20 0 BHADLO COC(C)(C)CC[N@@H+](C)c1ccc(C)cc1C ZINC000787182953 585902627 /nfs/dbraw/zinc/90/26/27/585902627.db2.gz JRZQTEDYVRBKRF-UHFFFAOYSA-N 1 2 235.371 3.555 20 0 BHADLO COC(C)(C)CC[N@H+](C)c1ccc(C)cc1C ZINC000787182953 585902626 /nfs/dbraw/zinc/90/26/26/585902626.db2.gz JRZQTEDYVRBKRF-UHFFFAOYSA-N 1 2 235.371 3.555 20 0 BHADLO COC(C)(C)CC[N@@H+](C)c1ccc(C)c(C)c1 ZINC000787184102 585902681 /nfs/dbraw/zinc/90/26/81/585902681.db2.gz NJKIPQGKQIRXJA-UHFFFAOYSA-N 1 2 235.371 3.555 20 0 BHADLO COC(C)(C)CC[N@H+](C)c1ccc(C)c(C)c1 ZINC000787184102 585902680 /nfs/dbraw/zinc/90/26/80/585902680.db2.gz NJKIPQGKQIRXJA-UHFFFAOYSA-N 1 2 235.371 3.555 20 0 BHADLO CC[N@@H+](CCC(C)(C)OC)c1ccc(C)cc1 ZINC000787258662 585903810 /nfs/dbraw/zinc/90/38/10/585903810.db2.gz BEDOMPNQXWCPQL-UHFFFAOYSA-N 1 2 235.371 3.636 20 0 BHADLO CC[N@H+](CCC(C)(C)OC)c1ccc(C)cc1 ZINC000787258662 585903809 /nfs/dbraw/zinc/90/38/09/585903809.db2.gz BEDOMPNQXWCPQL-UHFFFAOYSA-N 1 2 235.371 3.636 20 0 BHADLO Cc1ccc([N@H+](CC[C@@H]2CCCO2)C(C)C)cc1 ZINC000787261220 585903882 /nfs/dbraw/zinc/90/38/82/585903882.db2.gz RUBGUBGGJAUUSO-INIZCTEOSA-N 1 2 247.382 3.779 20 0 BHADLO Cc1ccc([N@@H+](CC[C@@H]2CCCO2)C(C)C)cc1 ZINC000787261220 585903881 /nfs/dbraw/zinc/90/38/81/585903881.db2.gz RUBGUBGGJAUUSO-INIZCTEOSA-N 1 2 247.382 3.779 20 0 BHADLO Cc1ccc([N@H+](CC[C@H]2CCCO2)C(C)C)cc1 ZINC000787261222 585904001 /nfs/dbraw/zinc/90/40/01/585904001.db2.gz RUBGUBGGJAUUSO-MRXNPFEDSA-N 1 2 247.382 3.779 20 0 BHADLO Cc1ccc([N@@H+](CC[C@H]2CCCO2)C(C)C)cc1 ZINC000787261222 585904000 /nfs/dbraw/zinc/90/40/00/585904000.db2.gz RUBGUBGGJAUUSO-MRXNPFEDSA-N 1 2 247.382 3.779 20 0 BHADLO C[C@H]1CC[N@@H+](Cc2cc(Cl)cs2)C[C@H]1F ZINC000787266784 585904236 /nfs/dbraw/zinc/90/42/36/585904236.db2.gz GLWNUWSDAYBQPE-GZMMTYOYSA-N 1 2 247.766 3.581 20 0 BHADLO C[C@H]1CC[N@H+](Cc2cc(Cl)cs2)C[C@H]1F ZINC000787266784 585904235 /nfs/dbraw/zinc/90/42/35/585904235.db2.gz GLWNUWSDAYBQPE-GZMMTYOYSA-N 1 2 247.766 3.581 20 0 BHADLO C[C@@H]1CC[N@@H+](Cc2cc(Cl)cs2)C[C@@H]1F ZINC000787266785 585904333 /nfs/dbraw/zinc/90/43/33/585904333.db2.gz GLWNUWSDAYBQPE-KCJUWKMLSA-N 1 2 247.766 3.581 20 0 BHADLO C[C@@H]1CC[N@H+](Cc2cc(Cl)cs2)C[C@@H]1F ZINC000787266785 585904332 /nfs/dbraw/zinc/90/43/32/585904332.db2.gz GLWNUWSDAYBQPE-KCJUWKMLSA-N 1 2 247.766 3.581 20 0 BHADLO C[C@H]1CC[N@@H+](Cc2cc(Cl)cs2)C[C@@H]1F ZINC000787266786 585904157 /nfs/dbraw/zinc/90/41/57/585904157.db2.gz GLWNUWSDAYBQPE-KWQFWETISA-N 1 2 247.766 3.581 20 0 BHADLO C[C@H]1CC[N@H+](Cc2cc(Cl)cs2)C[C@@H]1F ZINC000787266786 585904156 /nfs/dbraw/zinc/90/41/56/585904156.db2.gz GLWNUWSDAYBQPE-KWQFWETISA-N 1 2 247.766 3.581 20 0 BHADLO C[C@@H]1CC[N@@H+](Cc2cc(Cl)cs2)C[C@H]1F ZINC000787266787 585904229 /nfs/dbraw/zinc/90/42/29/585904229.db2.gz GLWNUWSDAYBQPE-LDYMZIIASA-N 1 2 247.766 3.581 20 0 BHADLO C[C@@H]1CC[N@H+](Cc2cc(Cl)cs2)C[C@H]1F ZINC000787266787 585904228 /nfs/dbraw/zinc/90/42/28/585904228.db2.gz GLWNUWSDAYBQPE-LDYMZIIASA-N 1 2 247.766 3.581 20 0 BHADLO Cc1ccc2c(c1)CCC[N@@H+]2C[C@H]1CCSC1 ZINC000787272173 585904133 /nfs/dbraw/zinc/90/41/33/585904133.db2.gz PBFRERBTIJBDBZ-CYBMUJFWSA-N 1 2 247.407 3.501 20 0 BHADLO Cc1ccc2c(c1)CCC[N@H+]2C[C@H]1CCSC1 ZINC000787272173 585904132 /nfs/dbraw/zinc/90/41/32/585904132.db2.gz PBFRERBTIJBDBZ-CYBMUJFWSA-N 1 2 247.407 3.501 20 0 BHADLO Cc1ccc2c(c1)CCC[N@@H+]2C[C@@H]1CCSC1 ZINC000787272179 585904404 /nfs/dbraw/zinc/90/44/04/585904404.db2.gz PBFRERBTIJBDBZ-ZDUSSCGKSA-N 1 2 247.407 3.501 20 0 BHADLO Cc1ccc2c(c1)CCC[N@H+]2C[C@@H]1CCSC1 ZINC000787272179 585904403 /nfs/dbraw/zinc/90/44/03/585904403.db2.gz PBFRERBTIJBDBZ-ZDUSSCGKSA-N 1 2 247.407 3.501 20 0 BHADLO Cc1ccc([N@@H+](C)CCC[C@H]2CCOC2)c(C)c1 ZINC000787775045 585915720 /nfs/dbraw/zinc/91/57/20/585915720.db2.gz KLIYGVQTAAQCDB-HNNXBMFYSA-N 1 2 247.382 3.556 20 0 BHADLO Cc1ccc([N@H+](C)CCC[C@H]2CCOC2)c(C)c1 ZINC000787775045 585915719 /nfs/dbraw/zinc/91/57/19/585915719.db2.gz KLIYGVQTAAQCDB-HNNXBMFYSA-N 1 2 247.382 3.556 20 0 BHADLO Cc1ccc([N@@H+](C)CCC[C@@H]2CCOC2)c(C)c1 ZINC000787775046 585915577 /nfs/dbraw/zinc/91/55/77/585915577.db2.gz KLIYGVQTAAQCDB-OAHLLOKOSA-N 1 2 247.382 3.556 20 0 BHADLO Cc1ccc([N@H+](C)CCC[C@@H]2CCOC2)c(C)c1 ZINC000787775046 585915576 /nfs/dbraw/zinc/91/55/76/585915576.db2.gz KLIYGVQTAAQCDB-OAHLLOKOSA-N 1 2 247.382 3.556 20 0 BHADLO Cc1cc([NH2+]C2CC(C)(C)C2)ccc1N(C)C ZINC000788597901 585927569 /nfs/dbraw/zinc/92/75/69/585927569.db2.gz DAHWKJPEWSMVIP-UHFFFAOYSA-N 1 2 232.371 3.662 20 0 BHADLO Cc1cc(NC2CC(C)(C)C2)ccc1[NH+](C)C ZINC000788597901 585927568 /nfs/dbraw/zinc/92/75/68/585927568.db2.gz DAHWKJPEWSMVIP-UHFFFAOYSA-N 1 2 232.371 3.662 20 0 BHADLO C[N@H+]1CCCc2cc(NC3CC(C)(C)C3)ccc21 ZINC000788598422 585927627 /nfs/dbraw/zinc/92/76/27/585927627.db2.gz WVMORGUEBYLHSD-UHFFFAOYSA-N 1 2 244.382 3.670 20 0 BHADLO C[N@@H+]1CCCc2cc(NC3CC(C)(C)C3)ccc21 ZINC000788598422 585927626 /nfs/dbraw/zinc/92/76/26/585927626.db2.gz WVMORGUEBYLHSD-UHFFFAOYSA-N 1 2 244.382 3.670 20 0 BHADLO CN1CCCc2cc([NH2+]C3CC(C)(C)C3)ccc21 ZINC000788598422 585927625 /nfs/dbraw/zinc/92/76/25/585927625.db2.gz WVMORGUEBYLHSD-UHFFFAOYSA-N 1 2 244.382 3.670 20 0 BHADLO COc1ccc([NH2+][C@@H]2CC=C(C)CC2)c(OC)c1 ZINC000788687779 585929149 /nfs/dbraw/zinc/92/91/49/585929149.db2.gz DVJYWJLWLZVDCK-GFCCVEGCSA-N 1 2 247.338 3.615 20 0 BHADLO COc1ccc([NH2+][C@H]2CC=C(C)CC2)c(OC)c1 ZINC000788687781 585929063 /nfs/dbraw/zinc/92/90/63/585929063.db2.gz DVJYWJLWLZVDCK-LBPRGKRZSA-N 1 2 247.338 3.615 20 0 BHADLO Cc1cc(N(C)C)ccc1[NH2+][C@H]1CC=C(C)CC1 ZINC000788689830 585929143 /nfs/dbraw/zinc/92/91/43/585929143.db2.gz JCHULPCVTBQPGG-AWEZNQCLSA-N 1 2 244.382 3.972 20 0 BHADLO Cc1cc([NH+](C)C)ccc1N[C@H]1CC=C(C)CC1 ZINC000788689830 585929142 /nfs/dbraw/zinc/92/91/42/585929142.db2.gz JCHULPCVTBQPGG-AWEZNQCLSA-N 1 2 244.382 3.972 20 0 BHADLO Cc1cc(N(C)C)ccc1[NH2+][C@@H]1CC=C(C)CC1 ZINC000788689846 585929160 /nfs/dbraw/zinc/92/91/60/585929160.db2.gz JCHULPCVTBQPGG-CQSZACIVSA-N 1 2 244.382 3.972 20 0 BHADLO Cc1cc([NH+](C)C)ccc1N[C@@H]1CC=C(C)CC1 ZINC000788689846 585929159 /nfs/dbraw/zinc/92/91/59/585929159.db2.gz JCHULPCVTBQPGG-CQSZACIVSA-N 1 2 244.382 3.972 20 0 BHADLO CCOc1ccc([NH2+][C@@H]2CC=C(C)CC2)cc1 ZINC000788694588 585929090 /nfs/dbraw/zinc/92/90/90/585929090.db2.gz WPIDRBPCCLNMSH-CYBMUJFWSA-N 1 2 231.339 3.996 20 0 BHADLO CCOc1ccc([NH2+][C@H]2CC=C(C)CC2)cc1 ZINC000788694589 585929174 /nfs/dbraw/zinc/92/91/74/585929174.db2.gz WPIDRBPCCLNMSH-ZDUSSCGKSA-N 1 2 231.339 3.996 20 0 BHADLO CC1=CC[C@@H](Nc2ccc([NH+](C)C)cc2)CC1 ZINC000788717664 585929588 /nfs/dbraw/zinc/92/95/88/585929588.db2.gz GQDAXZOKTHLYSL-CYBMUJFWSA-N 1 2 230.355 3.663 20 0 BHADLO CC1=CC[C@@H]([NH2+]c2ccc(N(C)C)cc2)CC1 ZINC000788717664 585929587 /nfs/dbraw/zinc/92/95/87/585929587.db2.gz GQDAXZOKTHLYSL-CYBMUJFWSA-N 1 2 230.355 3.663 20 0 BHADLO CC1=CC[C@H](Nc2ccc([NH+](C)C)cc2)CC1 ZINC000788717665 585929656 /nfs/dbraw/zinc/92/96/56/585929656.db2.gz GQDAXZOKTHLYSL-ZDUSSCGKSA-N 1 2 230.355 3.663 20 0 BHADLO CC1=CC[C@H]([NH2+]c2ccc(N(C)C)cc2)CC1 ZINC000788717665 585929655 /nfs/dbraw/zinc/92/96/55/585929655.db2.gz GQDAXZOKTHLYSL-ZDUSSCGKSA-N 1 2 230.355 3.663 20 0 BHADLO CC1=CC[C@@H]([NH2+]c2ccc3c(c2)CCO3)CC1 ZINC000788727803 585929554 /nfs/dbraw/zinc/92/95/54/585929554.db2.gz KZDJZAMZZNKHSX-CYBMUJFWSA-N 1 2 229.323 3.532 20 0 BHADLO CC1=CC[C@H]([NH2+]c2ccc3c(c2)CCO3)CC1 ZINC000788727807 585929574 /nfs/dbraw/zinc/92/95/74/585929574.db2.gz KZDJZAMZZNKHSX-ZDUSSCGKSA-N 1 2 229.323 3.532 20 0 BHADLO Cc1cc([NH2+][C@H]2CC=C(C)CC2)ccc1N(C)C ZINC000788728429 585929525 /nfs/dbraw/zinc/92/95/25/585929525.db2.gz NCGVSOSZBNQOES-AWEZNQCLSA-N 1 2 244.382 3.972 20 0 BHADLO Cc1cc(N[C@H]2CC=C(C)CC2)ccc1[NH+](C)C ZINC000788728429 585929524 /nfs/dbraw/zinc/92/95/24/585929524.db2.gz NCGVSOSZBNQOES-AWEZNQCLSA-N 1 2 244.382 3.972 20 0 BHADLO Cc1cc([NH2+][C@@H]2CC=C(C)CC2)ccc1N(C)C ZINC000788728431 585929506 /nfs/dbraw/zinc/92/95/06/585929506.db2.gz NCGVSOSZBNQOES-CQSZACIVSA-N 1 2 244.382 3.972 20 0 BHADLO Cc1cc(N[C@@H]2CC=C(C)CC2)ccc1[NH+](C)C ZINC000788728431 585929505 /nfs/dbraw/zinc/92/95/05/585929505.db2.gz NCGVSOSZBNQOES-CQSZACIVSA-N 1 2 244.382 3.972 20 0 BHADLO COc1ccc([NH2+][C@@H]2CC=C(C)CC2)c(C)c1 ZINC000788729715 585929749 /nfs/dbraw/zinc/92/97/49/585929749.db2.gz TYAVEFNBNBIJKX-CYBMUJFWSA-N 1 2 231.339 3.914 20 0 BHADLO COc1ccc([NH2+][C@H]2CC=C(C)CC2)c(C)c1 ZINC000788729716 585929712 /nfs/dbraw/zinc/92/97/12/585929712.db2.gz TYAVEFNBNBIJKX-ZDUSSCGKSA-N 1 2 231.339 3.914 20 0 BHADLO CC1=CC[C@H]([NH2+]c2ccc3c(c2)CCCO3)CC1 ZINC000788731954 585929725 /nfs/dbraw/zinc/92/97/25/585929725.db2.gz AHANYAYJWIEMDE-AWEZNQCLSA-N 1 2 243.350 3.922 20 0 BHADLO CC1=CC[C@@H]([NH2+]c2ccc3c(c2)CCCO3)CC1 ZINC000788731958 585929745 /nfs/dbraw/zinc/92/97/45/585929745.db2.gz AHANYAYJWIEMDE-CQSZACIVSA-N 1 2 243.350 3.922 20 0 BHADLO CCc1[nH+]c(C)ccc1OC/C(Cl)=C\Cl ZINC000788792479 585930292 /nfs/dbraw/zinc/93/02/92/585930292.db2.gz ZQVGGQHUSSQFKD-RMKNXTFCSA-N 1 2 246.137 3.650 20 0 BHADLO CCc1[nH+]c(C)ccc1OC/C(Cl)=C/Cl ZINC000788792480 585930377 /nfs/dbraw/zinc/93/03/77/585930377.db2.gz ZQVGGQHUSSQFKD-TWGQIWQCSA-N 1 2 246.137 3.650 20 0 BHADLO c1c(-c2cccc3ccccc32)[nH+]c2n1CCC2 ZINC000788866648 585931697 /nfs/dbraw/zinc/93/16/97/585931697.db2.gz FPCHZIJGSCUEBR-UHFFFAOYSA-N 1 2 234.302 3.650 20 0 BHADLO CC(C)c1ccc(-c2cn3c([nH+]2)CCC3)cc1 ZINC000788866839 585931738 /nfs/dbraw/zinc/93/17/38/585931738.db2.gz HRQBFAWPTVQRAJ-UHFFFAOYSA-N 1 2 226.323 3.620 20 0 BHADLO c1c(-c2ccc3ccccc3c2)[nH+]c2n1CCC2 ZINC000788866862 585931601 /nfs/dbraw/zinc/93/16/01/585931601.db2.gz IELAIRCWJLVNMX-UHFFFAOYSA-N 1 2 234.302 3.650 20 0 BHADLO CC(C)(C)c1ccc(-c2cn3c([nH+]2)CCC3)cc1 ZINC000788866975 585931672 /nfs/dbraw/zinc/93/16/72/585931672.db2.gz KGQMZCRFIODIRU-UHFFFAOYSA-N 1 2 240.350 3.794 20 0 BHADLO CCCCc1ccc([N@@H+](C)CCC[C@H](C)O)cc1 ZINC000789346988 585940723 /nfs/dbraw/zinc/94/07/23/585940723.db2.gz HRTHNXMQXSKGSZ-AWEZNQCLSA-N 1 2 249.398 3.626 20 0 BHADLO CCCCc1ccc([N@H+](C)CCC[C@H](C)O)cc1 ZINC000789346988 585940722 /nfs/dbraw/zinc/94/07/22/585940722.db2.gz HRTHNXMQXSKGSZ-AWEZNQCLSA-N 1 2 249.398 3.626 20 0 BHADLO CCCCc1ccc([N@@H+](C)CCC[C@@H](C)O)cc1 ZINC000789346989 585940690 /nfs/dbraw/zinc/94/06/90/585940690.db2.gz HRTHNXMQXSKGSZ-CQSZACIVSA-N 1 2 249.398 3.626 20 0 BHADLO CCCCc1ccc([N@H+](C)CCC[C@@H](C)O)cc1 ZINC000789346989 585940689 /nfs/dbraw/zinc/94/06/89/585940689.db2.gz HRTHNXMQXSKGSZ-CQSZACIVSA-N 1 2 249.398 3.626 20 0 BHADLO COc1cc(C)c([NH2+]CCCCCF)cc1C ZINC000789670701 585948263 /nfs/dbraw/zinc/94/82/63/585948263.db2.gz DWMSGNQUCLIJSN-UHFFFAOYSA-N 1 2 239.334 3.864 20 0 BHADLO Cc1ccc(NC[C@@H]2CCc3ccccc32)c[nH+]1 ZINC000790056112 585956817 /nfs/dbraw/zinc/95/68/17/585956817.db2.gz SLJNEXNPLBZRQZ-AWEZNQCLSA-N 1 2 238.334 3.532 20 0 BHADLO Cc1ccc(NC[C@H]2CCc3ccccc32)c[nH+]1 ZINC000790056117 585956842 /nfs/dbraw/zinc/95/68/42/585956842.db2.gz SLJNEXNPLBZRQZ-CQSZACIVSA-N 1 2 238.334 3.532 20 0 BHADLO Cc1ccc([N@@H+](C)CCCCCF)cc1 ZINC000792868767 586006037 /nfs/dbraw/zinc/00/60/37/586006037.db2.gz WMMLKQGZGHDRRH-UHFFFAOYSA-N 1 2 209.308 3.571 20 0 BHADLO Cc1ccc([N@H+](C)CCCCCF)cc1 ZINC000792868767 586006036 /nfs/dbraw/zinc/00/60/36/586006036.db2.gz WMMLKQGZGHDRRH-UHFFFAOYSA-N 1 2 209.308 3.571 20 0 BHADLO CCOC1CC(C[N@@H+](C)c2ccc(C)cc2C)C1 ZINC000795866752 586093647 /nfs/dbraw/zinc/09/36/47/586093647.db2.gz JAYCPGSKSMQPHO-UHFFFAOYSA-N 1 2 247.382 3.555 20 0 BHADLO CCOC1CC(C[N@H+](C)c2ccc(C)cc2C)C1 ZINC000795866752 586093646 /nfs/dbraw/zinc/09/36/46/586093646.db2.gz JAYCPGSKSMQPHO-UHFFFAOYSA-N 1 2 247.382 3.555 20 0 BHADLO CCOC1CC(C[N@@H+](C)c2ccc(C)c(C)c2)C1 ZINC000795867276 586093652 /nfs/dbraw/zinc/09/36/52/586093652.db2.gz LUUURJSZIKZCKB-UHFFFAOYSA-N 1 2 247.382 3.555 20 0 BHADLO CCOC1CC(C[N@H+](C)c2ccc(C)c(C)c2)C1 ZINC000795867276 586093651 /nfs/dbraw/zinc/09/36/51/586093651.db2.gz LUUURJSZIKZCKB-UHFFFAOYSA-N 1 2 247.382 3.555 20 0 BHADLO CCOC1CC(C[N@@H+](CC)c2ccc(C)cc2)C1 ZINC000795942732 586094876 /nfs/dbraw/zinc/09/48/76/586094876.db2.gz BNHNKAISIDGLMQ-UHFFFAOYSA-N 1 2 247.382 3.636 20 0 BHADLO CCOC1CC(C[N@H+](CC)c2ccc(C)cc2)C1 ZINC000795942732 586094875 /nfs/dbraw/zinc/09/48/75/586094875.db2.gz BNHNKAISIDGLMQ-UHFFFAOYSA-N 1 2 247.382 3.636 20 0 BHADLO CC[N@@H+](CCCCF)c1ccc(C)cc1 ZINC000795946714 586095005 /nfs/dbraw/zinc/09/50/05/586095005.db2.gz XOAHNYVMVGBUMV-UHFFFAOYSA-N 1 2 209.308 3.571 20 0 BHADLO CC[N@H+](CCCCF)c1ccc(C)cc1 ZINC000795946714 586095004 /nfs/dbraw/zinc/09/50/04/586095004.db2.gz XOAHNYVMVGBUMV-UHFFFAOYSA-N 1 2 209.308 3.571 20 0 BHADLO CC(C)CC[C@H]([NH2+]Cc1ccon1)c1ccoc1 ZINC000796788322 586112758 /nfs/dbraw/zinc/11/27/58/586112758.db2.gz JCTDDQWHAPFQRY-AWEZNQCLSA-N 1 2 248.326 3.535 20 0 BHADLO CC(C)CC[C@@H]([NH2+]Cc1ccon1)c1ccoc1 ZINC000796788323 586112804 /nfs/dbraw/zinc/11/28/04/586112804.db2.gz JCTDDQWHAPFQRY-CQSZACIVSA-N 1 2 248.326 3.535 20 0 BHADLO COc1ccc([NH2+][C@@H]2CC[C@@H]2C(C)C)c(OC)c1 ZINC000796856862 586115255 /nfs/dbraw/zinc/11/52/55/586115255.db2.gz NFVMUTDYTZOLDW-CHWSQXEVSA-N 1 2 249.354 3.550 20 0 BHADLO COc1ccc([NH2+][C@H]2CC[C@@H]2C(C)C)c(OC)c1 ZINC000796856863 586115372 /nfs/dbraw/zinc/11/53/72/586115372.db2.gz NFVMUTDYTZOLDW-OLZOCXBDSA-N 1 2 249.354 3.550 20 0 BHADLO COc1ccc([NH2+][C@@H]2CC[C@H]2C(C)C)c(OC)c1 ZINC000796856864 586115253 /nfs/dbraw/zinc/11/52/53/586115253.db2.gz NFVMUTDYTZOLDW-QWHCGFSZSA-N 1 2 249.354 3.550 20 0 BHADLO COc1ccc([NH2+][C@H]2CC[C@H]2C(C)C)c(OC)c1 ZINC000796856865 586115285 /nfs/dbraw/zinc/11/52/85/586115285.db2.gz NFVMUTDYTZOLDW-STQMWFEESA-N 1 2 249.354 3.550 20 0 BHADLO CCCc1ccc(N[C@H](C)c2[nH]cc[nH+]2)cc1 ZINC000796858938 586115363 /nfs/dbraw/zinc/11/53/63/586115363.db2.gz KXMOYVYABQYSAD-LLVKDONJSA-N 1 2 229.327 3.535 20 0 BHADLO CCCc1ccc(N[C@@H](C)c2[nH]cc[nH+]2)cc1 ZINC000796858939 586115299 /nfs/dbraw/zinc/11/52/99/586115299.db2.gz KXMOYVYABQYSAD-NSHDSACASA-N 1 2 229.327 3.535 20 0 BHADLO CCCC[C@@H](C)C(=O)OCc1ccc(C)[nH+]c1C ZINC000800275934 586208557 /nfs/dbraw/zinc/20/85/57/586208557.db2.gz JURFCUYJGAGOGV-LLVKDONJSA-N 1 2 249.354 3.568 20 0 BHADLO CCCC[C@H](C)C(=O)OCc1ccc(C)[nH+]c1C ZINC000800275935 586208431 /nfs/dbraw/zinc/20/84/31/586208431.db2.gz JURFCUYJGAGOGV-NSHDSACASA-N 1 2 249.354 3.568 20 0 BHADLO Cc1cc(N(C)C)ccc1[NH2+][C@H]1CCC12CCC2 ZINC000800483448 586223099 /nfs/dbraw/zinc/22/30/99/586223099.db2.gz HXHNHURAZFOUED-HNNXBMFYSA-N 1 2 244.382 3.806 20 0 BHADLO Cc1cc([NH+](C)C)ccc1N[C@H]1CCC12CCC2 ZINC000800483448 586223098 /nfs/dbraw/zinc/22/30/98/586223098.db2.gz HXHNHURAZFOUED-HNNXBMFYSA-N 1 2 244.382 3.806 20 0 BHADLO Cc1cc(N(C)C)ccc1[NH2+][C@@H]1CCC12CCC2 ZINC000800483449 586222933 /nfs/dbraw/zinc/22/29/33/586222933.db2.gz HXHNHURAZFOUED-OAHLLOKOSA-N 1 2 244.382 3.806 20 0 BHADLO Cc1cc([NH+](C)C)ccc1N[C@@H]1CCC12CCC2 ZINC000800483449 586222932 /nfs/dbraw/zinc/22/29/32/586222932.db2.gz HXHNHURAZFOUED-OAHLLOKOSA-N 1 2 244.382 3.806 20 0 BHADLO COc1ccc([NH2+][C@@H]2CCC[C@@H]3C[C@@]32C)cc1 ZINC000800483973 586222619 /nfs/dbraw/zinc/22/26/19/586222619.db2.gz SBUVNPKKHRKGJN-DFBGVHRSSA-N 1 2 231.339 3.686 20 0 BHADLO COc1ccc([NH2+][C@@H]2CCC[C@H]3C[C@]32C)cc1 ZINC000800483982 586222891 /nfs/dbraw/zinc/22/28/91/586222891.db2.gz SBUVNPKKHRKGJN-NILFDRSVSA-N 1 2 231.339 3.686 20 0 BHADLO CCOc1ccc([NH2+][C@H]2CCC23CCC3)cc1 ZINC000800484557 586222707 /nfs/dbraw/zinc/22/27/07/586222707.db2.gz ZYLAIYVOKYGFDX-AWEZNQCLSA-N 1 2 231.339 3.830 20 0 BHADLO CCOc1ccc([NH2+][C@@H]2CCC23CCC3)cc1 ZINC000800484558 586223060 /nfs/dbraw/zinc/22/30/60/586223060.db2.gz ZYLAIYVOKYGFDX-CQSZACIVSA-N 1 2 231.339 3.830 20 0 BHADLO C[C@]12C[C@H]1CCC[C@@H]2[NH2+]c1ccc2c(c1)CCO2 ZINC000800486625 586222537 /nfs/dbraw/zinc/22/25/37/586222537.db2.gz NCHNUIUJCLXNTA-KCXAZCMYSA-N 1 2 243.350 3.612 20 0 BHADLO C[C@]12C[C@H]1CCC[C@H]2[NH2+]c1ccc2c(c1)CCO2 ZINC000800486628 586223043 /nfs/dbraw/zinc/22/30/43/586223043.db2.gz NCHNUIUJCLXNTA-WQVCFCJDSA-N 1 2 243.350 3.612 20 0 BHADLO COc1ccc([NH2+][C@H]2CCC23CCC3)c(C)c1 ZINC000800487954 586222985 /nfs/dbraw/zinc/22/29/85/586222985.db2.gz MKHRGHSPCKRQPB-AWEZNQCLSA-N 1 2 231.339 3.748 20 0 BHADLO COc1ccc([NH2+][C@@H]2CCC23CCC3)c(C)c1 ZINC000800487955 586222866 /nfs/dbraw/zinc/22/28/66/586222866.db2.gz MKHRGHSPCKRQPB-CQSZACIVSA-N 1 2 231.339 3.748 20 0 BHADLO C[NH+](C)c1ccc(N[C@@H]2CCC[C@H]3C[C@]32C)cc1 ZINC000800488030 586223013 /nfs/dbraw/zinc/22/30/13/586223013.db2.gz NNNMKRJOTPHEER-APHBMKBZSA-N 1 2 244.382 3.743 20 0 BHADLO CN(C)c1ccc([NH2+][C@@H]2CCC[C@H]3C[C@]32C)cc1 ZINC000800488030 586223012 /nfs/dbraw/zinc/22/30/12/586223012.db2.gz NNNMKRJOTPHEER-APHBMKBZSA-N 1 2 244.382 3.743 20 0 BHADLO C[NH+](C)c1ccc(N[C@@H]2CCC[C@@H]3C[C@@]32C)cc1 ZINC000800488035 586223039 /nfs/dbraw/zinc/22/30/39/586223039.db2.gz NNNMKRJOTPHEER-WQVCFCJDSA-N 1 2 244.382 3.743 20 0 BHADLO CN(C)c1ccc([NH2+][C@@H]2CCC[C@@H]3C[C@@]32C)cc1 ZINC000800488035 586223038 /nfs/dbraw/zinc/22/30/38/586223038.db2.gz NNNMKRJOTPHEER-WQVCFCJDSA-N 1 2 244.382 3.743 20 0 BHADLO c1cc2c(cc1[NH2+][C@H]1CCC13CCC3)CCCO2 ZINC000800488150 586222604 /nfs/dbraw/zinc/22/26/04/586222604.db2.gz JKPIRMRIIQFDFW-HNNXBMFYSA-N 1 2 243.350 3.756 20 0 BHADLO c1cc2c(cc1[NH2+][C@@H]1CCC13CCC3)CCCO2 ZINC000800488152 586222944 /nfs/dbraw/zinc/22/29/44/586222944.db2.gz JKPIRMRIIQFDFW-OAHLLOKOSA-N 1 2 243.350 3.756 20 0 BHADLO Cc1cc([NH2+][C@H]2CCC23CCC3)ccc1N(C)C ZINC000800488972 586222535 /nfs/dbraw/zinc/22/25/35/586222535.db2.gz WUJKRSVQRDFUNR-HNNXBMFYSA-N 1 2 244.382 3.806 20 0 BHADLO Cc1cc(N[C@H]2CCC23CCC3)ccc1[NH+](C)C ZINC000800488972 586222534 /nfs/dbraw/zinc/22/25/34/586222534.db2.gz WUJKRSVQRDFUNR-HNNXBMFYSA-N 1 2 244.382 3.806 20 0 BHADLO Cc1cc([NH2+][C@@H]2CCC23CCC3)ccc1N(C)C ZINC000800488973 586222998 /nfs/dbraw/zinc/22/29/98/586222998.db2.gz WUJKRSVQRDFUNR-OAHLLOKOSA-N 1 2 244.382 3.806 20 0 BHADLO Cc1cc(N[C@@H]2CCC23CCC3)ccc1[NH+](C)C ZINC000800488973 586222997 /nfs/dbraw/zinc/22/29/97/586222997.db2.gz WUJKRSVQRDFUNR-OAHLLOKOSA-N 1 2 244.382 3.806 20 0 BHADLO CC(C)c1nc(N[C@@H](C)c2ccsc2)cc[nH+]1 ZINC000800877303 586235307 /nfs/dbraw/zinc/23/53/07/586235307.db2.gz HPUVEIUGYLXXMK-JTQLQIEISA-N 1 2 247.367 3.835 20 0 BHADLO CC(C)c1nc(N[C@H](C)c2ccsc2)cc[nH+]1 ZINC000800877304 586235391 /nfs/dbraw/zinc/23/53/91/586235391.db2.gz HPUVEIUGYLXXMK-SNVBAGLBSA-N 1 2 247.367 3.835 20 0 BHADLO c1cc([NH2+][C@H]2CC[C@@H]2C2CCC2)cc2c1OCC2 ZINC000800978149 586238318 /nfs/dbraw/zinc/23/83/18/586238318.db2.gz XNOJHEHBFYFCNY-CABCVRRESA-N 1 2 243.350 3.612 20 0 BHADLO c1cc([NH2+][C@H]2CC[C@H]2C2CCC2)cc2c1OCC2 ZINC000800978150 584000178 /nfs/dbraw/zinc/00/01/78/584000178.db2.gz XNOJHEHBFYFCNY-GJZGRUSLSA-N 1 2 243.350 3.612 20 0 BHADLO c1cc([NH2+][C@@H]2CC[C@@H]2C2CCC2)cc2c1OCC2 ZINC000800978151 584000205 /nfs/dbraw/zinc/00/02/05/584000205.db2.gz XNOJHEHBFYFCNY-HUUCEWRRSA-N 1 2 243.350 3.612 20 0 BHADLO c1cc([NH2+][C@@H]2CC[C@H]2C2CCC2)cc2c1OCC2 ZINC000800978152 584000554 /nfs/dbraw/zinc/00/05/54/584000554.db2.gz XNOJHEHBFYFCNY-LSDHHAIUSA-N 1 2 243.350 3.612 20 0 BHADLO Cc1cc(N[C@H]2CCC[C@H]3C[C@H]32)ccc1[NH+](C)C ZINC000800980757 586238327 /nfs/dbraw/zinc/23/83/27/586238327.db2.gz JCXGZLBQWXOMKC-CFVMTHIKSA-N 1 2 244.382 3.662 20 0 BHADLO Cc1cc([NH2+][C@H]2CCC[C@H]3C[C@H]32)ccc1N(C)C ZINC000800980757 586238325 /nfs/dbraw/zinc/23/83/25/586238325.db2.gz JCXGZLBQWXOMKC-CFVMTHIKSA-N 1 2 244.382 3.662 20 0 BHADLO Cc1cc(N[C@@H]2CCC[C@H]3C[C@H]32)ccc1[NH+](C)C ZINC000800980758 586238676 /nfs/dbraw/zinc/23/86/76/586238676.db2.gz JCXGZLBQWXOMKC-NWANDNLSSA-N 1 2 244.382 3.662 20 0 BHADLO Cc1cc([NH2+][C@@H]2CCC[C@H]3C[C@H]32)ccc1N(C)C ZINC000800980758 586238675 /nfs/dbraw/zinc/23/86/75/586238675.db2.gz JCXGZLBQWXOMKC-NWANDNLSSA-N 1 2 244.382 3.662 20 0 BHADLO CC[C@@H](C)CCC(=O)OCc1ccc(C)[nH+]c1C ZINC000803879430 586378869 /nfs/dbraw/zinc/37/88/69/586378869.db2.gz BUFZGHXOVQEBMK-LLVKDONJSA-N 1 2 249.354 3.568 20 0 BHADLO CC[C@H](C)CCC(=O)OCc1ccc(C)[nH+]c1C ZINC000803879431 586378690 /nfs/dbraw/zinc/37/86/90/586378690.db2.gz BUFZGHXOVQEBMK-NSHDSACASA-N 1 2 249.354 3.568 20 0 BHADLO CC1(CNc2cc3cc[nH]c3c[nH+]2)CCCC1 ZINC000804443632 586395867 /nfs/dbraw/zinc/39/58/67/586395867.db2.gz KISVHQAUJYFNIA-UHFFFAOYSA-N 1 2 229.327 3.555 20 0 BHADLO COc1cc[nH+]cc1CSC(C)(C)C(C)C ZINC000804914384 585159244 /nfs/dbraw/zinc/15/92/44/585159244.db2.gz BMCPRHUOVSWXCW-UHFFFAOYSA-N 1 2 239.384 3.758 20 0 BHADLO CCOc1ccc([NH2+][C@H]2CC[C@@H]2C2CC2)cc1 ZINC000806149418 586405540 /nfs/dbraw/zinc/40/55/40/586405540.db2.gz FINAJLYSJCFPRG-CABCVRRESA-N 1 2 231.339 3.686 20 0 BHADLO CCOc1ccc([NH2+][C@H]2CC[C@H]2C2CC2)cc1 ZINC000806149420 586405168 /nfs/dbraw/zinc/40/51/68/586405168.db2.gz FINAJLYSJCFPRG-GJZGRUSLSA-N 1 2 231.339 3.686 20 0 BHADLO CCOc1ccc([NH2+][C@@H]2CC[C@@H]2C2CC2)cc1 ZINC000806149422 586405581 /nfs/dbraw/zinc/40/55/81/586405581.db2.gz FINAJLYSJCFPRG-HUUCEWRRSA-N 1 2 231.339 3.686 20 0 BHADLO CCOc1ccc([NH2+][C@@H]2CC[C@H]2C2CC2)cc1 ZINC000806149423 586405063 /nfs/dbraw/zinc/40/50/63/586405063.db2.gz FINAJLYSJCFPRG-LSDHHAIUSA-N 1 2 231.339 3.686 20 0 BHADLO CC[C@@H]1CC[C@@H]1[NH2+]c1ccc(N(C)C)cc1C ZINC000806151151 585930613 /nfs/dbraw/zinc/93/06/13/585930613.db2.gz CBCYBHIXONSYHR-DOMZBBRYSA-N 1 2 232.371 3.662 20 0 BHADLO CC[C@@H]1CC[C@@H]1Nc1ccc([NH+](C)C)cc1C ZINC000806151151 585930612 /nfs/dbraw/zinc/93/06/12/585930612.db2.gz CBCYBHIXONSYHR-DOMZBBRYSA-N 1 2 232.371 3.662 20 0 BHADLO CC[C@@H]1CC[C@H]1[NH2+]c1ccc(N(C)C)cc1C ZINC000806151152 585930713 /nfs/dbraw/zinc/93/07/13/585930713.db2.gz CBCYBHIXONSYHR-IUODEOHRSA-N 1 2 232.371 3.662 20 0 BHADLO CC[C@@H]1CC[C@H]1Nc1ccc([NH+](C)C)cc1C ZINC000806151152 585930712 /nfs/dbraw/zinc/93/07/12/585930712.db2.gz CBCYBHIXONSYHR-IUODEOHRSA-N 1 2 232.371 3.662 20 0 BHADLO CC[C@H]1CC[C@H]1[NH2+]c1ccc(N(C)C)cc1C ZINC000806151153 585930678 /nfs/dbraw/zinc/93/06/78/585930678.db2.gz CBCYBHIXONSYHR-SWLSCSKDSA-N 1 2 232.371 3.662 20 0 BHADLO CC[C@H]1CC[C@H]1Nc1ccc([NH+](C)C)cc1C ZINC000806151153 585930677 /nfs/dbraw/zinc/93/06/77/585930677.db2.gz CBCYBHIXONSYHR-SWLSCSKDSA-N 1 2 232.371 3.662 20 0 BHADLO CC[C@H]1CC[C@@H]1[NH2+]c1ccc(N(C)C)cc1C ZINC000806151154 585930626 /nfs/dbraw/zinc/93/06/26/585930626.db2.gz CBCYBHIXONSYHR-WFASDCNBSA-N 1 2 232.371 3.662 20 0 BHADLO CC[C@H]1CC[C@@H]1Nc1ccc([NH+](C)C)cc1C ZINC000806151154 585930625 /nfs/dbraw/zinc/93/06/25/585930625.db2.gz CBCYBHIXONSYHR-WFASDCNBSA-N 1 2 232.371 3.662 20 0 BHADLO CC[C@H]1CC[C@@H]1[NH2+]c1ccc(N2CCCC2)cc1 ZINC000806151702 585972171 /nfs/dbraw/zinc/97/21/71/585972171.db2.gz JJQMXEHBYBMBMF-BBRMVZONSA-N 1 2 244.382 3.887 20 0 BHADLO CC[C@H]1CC[C@@H]1Nc1ccc([NH+]2CCCC2)cc1 ZINC000806151702 585972170 /nfs/dbraw/zinc/97/21/70/585972170.db2.gz JJQMXEHBYBMBMF-BBRMVZONSA-N 1 2 244.382 3.887 20 0 BHADLO CC[C@@H]1CC[C@@H]1[NH2+]c1ccc(N2CCCC2)cc1 ZINC000806151703 585972136 /nfs/dbraw/zinc/97/21/36/585972136.db2.gz JJQMXEHBYBMBMF-CJNGLKHVSA-N 1 2 244.382 3.887 20 0 BHADLO CC[C@@H]1CC[C@@H]1Nc1ccc([NH+]2CCCC2)cc1 ZINC000806151703 585972135 /nfs/dbraw/zinc/97/21/35/585972135.db2.gz JJQMXEHBYBMBMF-CJNGLKHVSA-N 1 2 244.382 3.887 20 0 BHADLO CC[C@@H]1CC[C@H]1[NH2+]c1ccc(N2CCCC2)cc1 ZINC000806151704 585972060 /nfs/dbraw/zinc/97/20/60/585972060.db2.gz JJQMXEHBYBMBMF-CZUORRHYSA-N 1 2 244.382 3.887 20 0 BHADLO CC[C@@H]1CC[C@H]1Nc1ccc([NH+]2CCCC2)cc1 ZINC000806151704 585972059 /nfs/dbraw/zinc/97/20/59/585972059.db2.gz JJQMXEHBYBMBMF-CZUORRHYSA-N 1 2 244.382 3.887 20 0 BHADLO CC[C@H]1CC[C@H]1[NH2+]c1ccc(N2CCCC2)cc1 ZINC000806151705 585972243 /nfs/dbraw/zinc/97/22/43/585972243.db2.gz JJQMXEHBYBMBMF-XJKSGUPXSA-N 1 2 244.382 3.887 20 0 BHADLO CC[C@H]1CC[C@H]1Nc1ccc([NH+]2CCCC2)cc1 ZINC000806151705 585972242 /nfs/dbraw/zinc/97/22/42/585972242.db2.gz JJQMXEHBYBMBMF-XJKSGUPXSA-N 1 2 244.382 3.887 20 0 BHADLO Cc1cc(N(C)C)ccc1[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000806151985 585983327 /nfs/dbraw/zinc/98/33/27/585983327.db2.gz NKPYLLOLLKVEQV-GDBMZVCRSA-N 1 2 244.382 3.662 20 0 BHADLO Cc1cc([NH+](C)C)ccc1N[C@@H]1CC[C@@H]1C1CC1 ZINC000806151985 585983326 /nfs/dbraw/zinc/98/33/26/585983326.db2.gz NKPYLLOLLKVEQV-GDBMZVCRSA-N 1 2 244.382 3.662 20 0 BHADLO Cc1cc(N(C)C)ccc1[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000806151986 585983382 /nfs/dbraw/zinc/98/33/82/585983382.db2.gz NKPYLLOLLKVEQV-GOEBONIOSA-N 1 2 244.382 3.662 20 0 BHADLO Cc1cc([NH+](C)C)ccc1N[C@@H]1CC[C@H]1C1CC1 ZINC000806151986 585983381 /nfs/dbraw/zinc/98/33/81/585983381.db2.gz NKPYLLOLLKVEQV-GOEBONIOSA-N 1 2 244.382 3.662 20 0 BHADLO Cc1cc(N(C)C)ccc1[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000806151987 585983674 /nfs/dbraw/zinc/98/36/74/585983674.db2.gz NKPYLLOLLKVEQV-HOCLYGCPSA-N 1 2 244.382 3.662 20 0 BHADLO Cc1cc([NH+](C)C)ccc1N[C@H]1CC[C@H]1C1CC1 ZINC000806151987 585983673 /nfs/dbraw/zinc/98/36/73/585983673.db2.gz NKPYLLOLLKVEQV-HOCLYGCPSA-N 1 2 244.382 3.662 20 0 BHADLO Cc1cc(N(C)C)ccc1[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000806151988 585983265 /nfs/dbraw/zinc/98/32/65/585983265.db2.gz NKPYLLOLLKVEQV-ZBFHGGJFSA-N 1 2 244.382 3.662 20 0 BHADLO Cc1cc([NH+](C)C)ccc1N[C@H]1CC[C@@H]1C1CC1 ZINC000806151988 585983264 /nfs/dbraw/zinc/98/32/64/585983264.db2.gz NKPYLLOLLKVEQV-ZBFHGGJFSA-N 1 2 244.382 3.662 20 0 BHADLO COc1ccc([NH2+][C@@H]2CC[C@H]2C2CC2)c(C)c1 ZINC000806153906 582646851 /nfs/dbraw/zinc/64/68/51/582646851.db2.gz AUBHPWKXPPTTNN-DZGCQCFKSA-N 1 2 231.339 3.604 20 0 BHADLO COc1ccc([NH2+][C@H]2CC[C@@H]2C2CC2)c(C)c1 ZINC000806153907 582646992 /nfs/dbraw/zinc/64/69/92/582646992.db2.gz AUBHPWKXPPTTNN-HIFRSBDPSA-N 1 2 231.339 3.604 20 0 BHADLO COc1ccc([NH2+][C@@H]2CC[C@@H]2C2CC2)c(C)c1 ZINC000806153908 582646890 /nfs/dbraw/zinc/64/68/90/582646890.db2.gz AUBHPWKXPPTTNN-UKRRQHHQSA-N 1 2 231.339 3.604 20 0 BHADLO COc1ccc([NH2+][C@H]2CC[C@H]2C2CC2)c(C)c1 ZINC000806153909 582646894 /nfs/dbraw/zinc/64/68/94/582646894.db2.gz AUBHPWKXPPTTNN-ZFWWWQNUSA-N 1 2 231.339 3.604 20 0 BHADLO CC[C@H]1CC[C@H]1Nc1ccc([NH+](C)C)c(C)c1 ZINC000806156607 586406132 /nfs/dbraw/zinc/40/61/32/586406132.db2.gz GKWRDPMWMMHZFG-GXTWGEPZSA-N 1 2 232.371 3.662 20 0 BHADLO CC[C@H]1CC[C@H]1[NH2+]c1ccc(N(C)C)c(C)c1 ZINC000806156607 586406130 /nfs/dbraw/zinc/40/61/30/586406130.db2.gz GKWRDPMWMMHZFG-GXTWGEPZSA-N 1 2 232.371 3.662 20 0 BHADLO CC[C@H]1CC[C@@H]1Nc1ccc([NH+](C)C)c(C)c1 ZINC000806156608 586406327 /nfs/dbraw/zinc/40/63/27/586406327.db2.gz GKWRDPMWMMHZFG-JSGCOSHPSA-N 1 2 232.371 3.662 20 0 BHADLO CC[C@H]1CC[C@@H]1[NH2+]c1ccc(N(C)C)c(C)c1 ZINC000806156608 586406324 /nfs/dbraw/zinc/40/63/24/586406324.db2.gz GKWRDPMWMMHZFG-JSGCOSHPSA-N 1 2 232.371 3.662 20 0 BHADLO CC[C@@H]1CC[C@@H]1Nc1ccc([NH+](C)C)c(C)c1 ZINC000806156609 586406077 /nfs/dbraw/zinc/40/60/77/586406077.db2.gz GKWRDPMWMMHZFG-OCCSQVGLSA-N 1 2 232.371 3.662 20 0 BHADLO CC[C@@H]1CC[C@@H]1[NH2+]c1ccc(N(C)C)c(C)c1 ZINC000806156609 586406076 /nfs/dbraw/zinc/40/60/76/586406076.db2.gz GKWRDPMWMMHZFG-OCCSQVGLSA-N 1 2 232.371 3.662 20 0 BHADLO CC[C@@H]1CC[C@H]1Nc1ccc([NH+](C)C)c(C)c1 ZINC000806156610 586406117 /nfs/dbraw/zinc/40/61/17/586406117.db2.gz GKWRDPMWMMHZFG-TZMCWYRMSA-N 1 2 232.371 3.662 20 0 BHADLO CC[C@@H]1CC[C@H]1[NH2+]c1ccc(N(C)C)c(C)c1 ZINC000806156610 586406116 /nfs/dbraw/zinc/40/61/16/586406116.db2.gz GKWRDPMWMMHZFG-TZMCWYRMSA-N 1 2 232.371 3.662 20 0 BHADLO CC[C@@H]1CC[C@@H]1Nc1ccc2c(c1)CCC[N@@H+]2C ZINC000806156828 582458917 /nfs/dbraw/zinc/45/89/17/582458917.db2.gz KPYMKQFQBYKUSN-DOMZBBRYSA-N 1 2 244.382 3.670 20 0 BHADLO CC[C@@H]1CC[C@@H]1Nc1ccc2c(c1)CCC[N@H+]2C ZINC000806156828 582458915 /nfs/dbraw/zinc/45/89/15/582458915.db2.gz KPYMKQFQBYKUSN-DOMZBBRYSA-N 1 2 244.382 3.670 20 0 BHADLO CC[C@@H]1CC[C@@H]1[NH2+]c1ccc2c(c1)CCCN2C ZINC000806156828 582458912 /nfs/dbraw/zinc/45/89/12/582458912.db2.gz KPYMKQFQBYKUSN-DOMZBBRYSA-N 1 2 244.382 3.670 20 0 BHADLO CC[C@@H]1CC[C@H]1Nc1ccc2c(c1)CCC[N@@H+]2C ZINC000806156829 582458943 /nfs/dbraw/zinc/45/89/43/582458943.db2.gz KPYMKQFQBYKUSN-IUODEOHRSA-N 1 2 244.382 3.670 20 0 BHADLO CC[C@@H]1CC[C@H]1Nc1ccc2c(c1)CCC[N@H+]2C ZINC000806156829 582458940 /nfs/dbraw/zinc/45/89/40/582458940.db2.gz KPYMKQFQBYKUSN-IUODEOHRSA-N 1 2 244.382 3.670 20 0 BHADLO CC[C@@H]1CC[C@H]1[NH2+]c1ccc2c(c1)CCCN2C ZINC000806156829 582458937 /nfs/dbraw/zinc/45/89/37/582458937.db2.gz KPYMKQFQBYKUSN-IUODEOHRSA-N 1 2 244.382 3.670 20 0 BHADLO CC[C@H]1CC[C@H]1Nc1ccc2c(c1)CCC[N@@H+]2C ZINC000806156830 582458838 /nfs/dbraw/zinc/45/88/38/582458838.db2.gz KPYMKQFQBYKUSN-SWLSCSKDSA-N 1 2 244.382 3.670 20 0 BHADLO CC[C@H]1CC[C@H]1Nc1ccc2c(c1)CCC[N@H+]2C ZINC000806156830 582458837 /nfs/dbraw/zinc/45/88/37/582458837.db2.gz KPYMKQFQBYKUSN-SWLSCSKDSA-N 1 2 244.382 3.670 20 0 BHADLO CC[C@H]1CC[C@H]1[NH2+]c1ccc2c(c1)CCCN2C ZINC000806156830 582458836 /nfs/dbraw/zinc/45/88/36/582458836.db2.gz KPYMKQFQBYKUSN-SWLSCSKDSA-N 1 2 244.382 3.670 20 0 BHADLO CC[C@H]1CC[C@@H]1Nc1ccc2c(c1)CCC[N@@H+]2C ZINC000806156831 582458756 /nfs/dbraw/zinc/45/87/56/582458756.db2.gz KPYMKQFQBYKUSN-WFASDCNBSA-N 1 2 244.382 3.670 20 0 BHADLO CC[C@H]1CC[C@@H]1Nc1ccc2c(c1)CCC[N@H+]2C ZINC000806156831 582458754 /nfs/dbraw/zinc/45/87/54/582458754.db2.gz KPYMKQFQBYKUSN-WFASDCNBSA-N 1 2 244.382 3.670 20 0 BHADLO CC[C@H]1CC[C@@H]1[NH2+]c1ccc2c(c1)CCCN2C ZINC000806156831 582458753 /nfs/dbraw/zinc/45/87/53/582458753.db2.gz KPYMKQFQBYKUSN-WFASDCNBSA-N 1 2 244.382 3.670 20 0 BHADLO CC[C@@H]1CC[C@H]1[NH2+]c1ccc2c(c1)CCCO2 ZINC000806157105 586406271 /nfs/dbraw/zinc/40/62/71/586406271.db2.gz OKULSOAOCMTEAA-BXUZGUMPSA-N 1 2 231.339 3.612 20 0 BHADLO CC[C@H]1CC[C@@H]1[NH2+]c1ccc2c(c1)CCCO2 ZINC000806157106 586406035 /nfs/dbraw/zinc/40/60/35/586406035.db2.gz OKULSOAOCMTEAA-FZMZJTMJSA-N 1 2 231.339 3.612 20 0 BHADLO CC[C@@H]1CC[C@@H]1[NH2+]c1ccc2c(c1)CCCO2 ZINC000806157107 586405856 /nfs/dbraw/zinc/40/58/56/586405856.db2.gz OKULSOAOCMTEAA-RISCZKNCSA-N 1 2 231.339 3.612 20 0 BHADLO CC[C@H]1CC[C@H]1[NH2+]c1ccc2c(c1)CCCO2 ZINC000806157108 586406123 /nfs/dbraw/zinc/40/61/23/586406123.db2.gz OKULSOAOCMTEAA-SMDDNHRTSA-N 1 2 231.339 3.612 20 0 BHADLO c1cc2c(cc1[NH2+][C@H]1CC[C@@H]1C1CC1)CCCO2 ZINC000806157745 586406114 /nfs/dbraw/zinc/40/61/14/586406114.db2.gz UIQCPVKMVPQFQK-CABCVRRESA-N 1 2 243.350 3.612 20 0 BHADLO c1cc2c(cc1[NH2+][C@H]1CC[C@H]1C1CC1)CCCO2 ZINC000806157746 586406110 /nfs/dbraw/zinc/40/61/10/586406110.db2.gz UIQCPVKMVPQFQK-GJZGRUSLSA-N 1 2 243.350 3.612 20 0 BHADLO c1cc2c(cc1[NH2+][C@@H]1CC[C@@H]1C1CC1)CCCO2 ZINC000806157747 586406125 /nfs/dbraw/zinc/40/61/25/586406125.db2.gz UIQCPVKMVPQFQK-HUUCEWRRSA-N 1 2 243.350 3.612 20 0 BHADLO c1cc2c(cc1[NH2+][C@@H]1CC[C@H]1C1CC1)CCCO2 ZINC000806157748 582461088 /nfs/dbraw/zinc/46/10/88/582461088.db2.gz UIQCPVKMVPQFQK-LSDHHAIUSA-N 1 2 243.350 3.612 20 0 BHADLO Cc1cc(N[C@H]2CC[C@@H]2C2CC2)ccc1[NH+](C)C ZINC000806158232 586405777 /nfs/dbraw/zinc/40/57/77/586405777.db2.gz WFIQEXWGBRCDOS-CABCVRRESA-N 1 2 244.382 3.662 20 0 BHADLO Cc1cc([NH2+][C@H]2CC[C@@H]2C2CC2)ccc1N(C)C ZINC000806158232 586405774 /nfs/dbraw/zinc/40/57/74/586405774.db2.gz WFIQEXWGBRCDOS-CABCVRRESA-N 1 2 244.382 3.662 20 0 BHADLO Cc1cc(N[C@H]2CC[C@H]2C2CC2)ccc1[NH+](C)C ZINC000806158234 586406179 /nfs/dbraw/zinc/40/61/79/586406179.db2.gz WFIQEXWGBRCDOS-GJZGRUSLSA-N 1 2 244.382 3.662 20 0 BHADLO Cc1cc([NH2+][C@H]2CC[C@H]2C2CC2)ccc1N(C)C ZINC000806158234 586406176 /nfs/dbraw/zinc/40/61/76/586406176.db2.gz WFIQEXWGBRCDOS-GJZGRUSLSA-N 1 2 244.382 3.662 20 0 BHADLO Cc1cc(N[C@@H]2CC[C@@H]2C2CC2)ccc1[NH+](C)C ZINC000806158235 586406107 /nfs/dbraw/zinc/40/61/07/586406107.db2.gz WFIQEXWGBRCDOS-HUUCEWRRSA-N 1 2 244.382 3.662 20 0 BHADLO Cc1cc([NH2+][C@@H]2CC[C@@H]2C2CC2)ccc1N(C)C ZINC000806158235 586406106 /nfs/dbraw/zinc/40/61/06/586406106.db2.gz WFIQEXWGBRCDOS-HUUCEWRRSA-N 1 2 244.382 3.662 20 0 BHADLO Cc1cc(N[C@@H]2CC[C@H]2C2CC2)ccc1[NH+](C)C ZINC000806158237 586406100 /nfs/dbraw/zinc/40/61/00/586406100.db2.gz WFIQEXWGBRCDOS-LSDHHAIUSA-N 1 2 244.382 3.662 20 0 BHADLO Cc1cc([NH2+][C@@H]2CC[C@H]2C2CC2)ccc1N(C)C ZINC000806158237 586406099 /nfs/dbraw/zinc/40/60/99/586406099.db2.gz WFIQEXWGBRCDOS-LSDHHAIUSA-N 1 2 244.382 3.662 20 0 BHADLO C[N@@H+](C/C=C\Cl)Cc1ccccc1Cl ZINC000807256916 586430794 /nfs/dbraw/zinc/43/07/94/586430794.db2.gz CKCIHOHTBTWXBX-DAXSKMNVSA-N 1 2 230.138 3.524 20 0 BHADLO C[N@H+](C/C=C\Cl)Cc1ccccc1Cl ZINC000807256916 586430792 /nfs/dbraw/zinc/43/07/92/586430792.db2.gz CKCIHOHTBTWXBX-DAXSKMNVSA-N 1 2 230.138 3.524 20 0 BHADLO Fc1ccccc1C[N@@H+](C/C=C\Cl)C1CC1 ZINC000807275190 586431882 /nfs/dbraw/zinc/43/18/82/586431882.db2.gz BUOBAVITDLAHKH-BAQGIRSFSA-N 1 2 239.721 3.543 20 0 BHADLO Fc1ccccc1C[N@H+](C/C=C\Cl)C1CC1 ZINC000807275190 586431881 /nfs/dbraw/zinc/43/18/81/586431881.db2.gz BUOBAVITDLAHKH-BAQGIRSFSA-N 1 2 239.721 3.543 20 0 BHADLO Fc1ccccc1C[N@@H+](C/C=C/Cl)C1CC1 ZINC000807275191 586431573 /nfs/dbraw/zinc/43/15/73/586431573.db2.gz BUOBAVITDLAHKH-FPYGCLRLSA-N 1 2 239.721 3.543 20 0 BHADLO Fc1ccccc1C[N@H+](C/C=C/Cl)C1CC1 ZINC000807275191 586431572 /nfs/dbraw/zinc/43/15/72/586431572.db2.gz BUOBAVITDLAHKH-FPYGCLRLSA-N 1 2 239.721 3.543 20 0 BHADLO CC(C)=CCn1cc[nH+]c1-c1ccnc(Cl)c1 ZINC000808257025 586468731 /nfs/dbraw/zinc/46/87/31/586468731.db2.gz ZXNPQEMKIYUYEG-UHFFFAOYSA-N 1 2 247.729 3.565 20 0 BHADLO Cc1cc(C[NH2+]C2(C(F)F)CCCC2)c(C)o1 ZINC000808452106 586473017 /nfs/dbraw/zinc/47/30/17/586473017.db2.gz YEEVUCGQWKAOCY-UHFFFAOYSA-N 1 2 243.297 3.564 20 0 BHADLO COc1cc(C)c([NH2+]CCCCF)c(C)c1C ZINC000809193360 586501146 /nfs/dbraw/zinc/50/11/46/586501146.db2.gz ZGBWSBJTDCUUTJ-UHFFFAOYSA-N 1 2 239.334 3.782 20 0 BHADLO Clc1cccc2c1C[N@@H+](Cc1ccsc1)C2 ZINC000809770907 586519381 /nfs/dbraw/zinc/51/93/81/586519381.db2.gz AQAIJBVYVLWKRS-UHFFFAOYSA-N 1 2 249.766 3.917 20 0 BHADLO Clc1cccc2c1C[N@H+](Cc1ccsc1)C2 ZINC000809770907 586519379 /nfs/dbraw/zinc/51/93/79/586519379.db2.gz AQAIJBVYVLWKRS-UHFFFAOYSA-N 1 2 249.766 3.917 20 0 BHADLO Cc1ccoc1C[N@H+]1Cc2cccc(Cl)c2C1 ZINC000809771697 586518938 /nfs/dbraw/zinc/51/89/38/586518938.db2.gz MUTIZDOAJHUNHE-UHFFFAOYSA-N 1 2 247.725 3.757 20 0 BHADLO Cc1ccoc1C[N@@H+]1Cc2cccc(Cl)c2C1 ZINC000809771697 586518936 /nfs/dbraw/zinc/51/89/36/586518936.db2.gz MUTIZDOAJHUNHE-UHFFFAOYSA-N 1 2 247.725 3.757 20 0 BHADLO Cc1ccc(C[N@H+]2Cc3cccc(Cl)c3C2)o1 ZINC000809771898 586519238 /nfs/dbraw/zinc/51/92/38/586519238.db2.gz PHZRUXHVTZEUJP-UHFFFAOYSA-N 1 2 247.725 3.757 20 0 BHADLO Cc1ccc(C[N@@H+]2Cc3cccc(Cl)c3C2)o1 ZINC000809771898 586519237 /nfs/dbraw/zinc/51/92/37/586519237.db2.gz PHZRUXHVTZEUJP-UHFFFAOYSA-N 1 2 247.725 3.757 20 0 BHADLO CCc1ccc([N@@H+](C[C@@H]2CCOC2)C(C)C)cc1 ZINC000810032078 586532170 /nfs/dbraw/zinc/53/21/70/586532170.db2.gz BIDLSOMNGVLCOM-HNNXBMFYSA-N 1 2 247.382 3.500 20 0 BHADLO CCc1ccc([N@H+](C[C@@H]2CCOC2)C(C)C)cc1 ZINC000810032078 586532169 /nfs/dbraw/zinc/53/21/69/586532169.db2.gz BIDLSOMNGVLCOM-HNNXBMFYSA-N 1 2 247.382 3.500 20 0 BHADLO CCc1ccc([N@@H+](C[C@H]2CCOC2)C(C)C)cc1 ZINC000810032079 586531774 /nfs/dbraw/zinc/53/17/74/586531774.db2.gz BIDLSOMNGVLCOM-OAHLLOKOSA-N 1 2 247.382 3.500 20 0 BHADLO CCc1ccc([N@H+](C[C@H]2CCOC2)C(C)C)cc1 ZINC000810032079 586531773 /nfs/dbraw/zinc/53/17/73/586531773.db2.gz BIDLSOMNGVLCOM-OAHLLOKOSA-N 1 2 247.382 3.500 20 0 BHADLO CCc1ccc([N@@H+](CCCCOC)C(C)C)cc1 ZINC000810032567 586532039 /nfs/dbraw/zinc/53/20/39/586532039.db2.gz YUWBUBHYGOEDAH-UHFFFAOYSA-N 1 2 249.398 3.890 20 0 BHADLO CCc1ccc([N@H+](CCCCOC)C(C)C)cc1 ZINC000810032567 586532037 /nfs/dbraw/zinc/53/20/37/586532037.db2.gz YUWBUBHYGOEDAH-UHFFFAOYSA-N 1 2 249.398 3.890 20 0 BHADLO CCc1ccc([N@@H+](CC2(C)COC2)C(C)C)cc1 ZINC000810032743 586532144 /nfs/dbraw/zinc/53/21/44/586532144.db2.gz HRUCWDCMQUSYHW-UHFFFAOYSA-N 1 2 247.382 3.500 20 0 BHADLO CCc1ccc([N@H+](CC2(C)COC2)C(C)C)cc1 ZINC000810032743 586532143 /nfs/dbraw/zinc/53/21/43/586532143.db2.gz HRUCWDCMQUSYHW-UHFFFAOYSA-N 1 2 247.382 3.500 20 0 BHADLO CCc1ccc([N@@H+](CCC[C@H](C)O)C(C)C)cc1 ZINC000810032924 586531828 /nfs/dbraw/zinc/53/18/28/586531828.db2.gz QFUUWVOXHJYTJD-AWEZNQCLSA-N 1 2 249.398 3.625 20 0 BHADLO CCc1ccc([N@H+](CCC[C@H](C)O)C(C)C)cc1 ZINC000810032924 586531826 /nfs/dbraw/zinc/53/18/26/586531826.db2.gz QFUUWVOXHJYTJD-AWEZNQCLSA-N 1 2 249.398 3.625 20 0 BHADLO CCc1ccc([N@@H+](CCC[C@@H](C)O)C(C)C)cc1 ZINC000810032925 586532159 /nfs/dbraw/zinc/53/21/59/586532159.db2.gz QFUUWVOXHJYTJD-CQSZACIVSA-N 1 2 249.398 3.625 20 0 BHADLO CCc1ccc([N@H+](CCC[C@@H](C)O)C(C)C)cc1 ZINC000810032925 586532158 /nfs/dbraw/zinc/53/21/58/586532158.db2.gz QFUUWVOXHJYTJD-CQSZACIVSA-N 1 2 249.398 3.625 20 0 BHADLO Cc1cc([NH2+][C@@H]2C[C@@H](C)[C@H]2C)ccc1N(C)C ZINC000813865483 586608362 /nfs/dbraw/zinc/60/83/62/586608362.db2.gz YHOBKPOGDJWXPB-MPKXVKKWSA-N 1 2 232.371 3.517 20 0 BHADLO Cc1cc(N[C@@H]2C[C@@H](C)[C@H]2C)ccc1[NH+](C)C ZINC000813865483 586608361 /nfs/dbraw/zinc/60/83/61/586608361.db2.gz YHOBKPOGDJWXPB-MPKXVKKWSA-N 1 2 232.371 3.517 20 0 BHADLO Cc1cc([NH2+][C@@H]2C[C@@H](C)[C@@H]2C)ccc1N(C)C ZINC000813865484 586608312 /nfs/dbraw/zinc/60/83/12/586608312.db2.gz YHOBKPOGDJWXPB-SCDSUCTJSA-N 1 2 232.371 3.517 20 0 BHADLO Cc1cc(N[C@@H]2C[C@@H](C)[C@@H]2C)ccc1[NH+](C)C ZINC000813865484 586608311 /nfs/dbraw/zinc/60/83/11/586608311.db2.gz YHOBKPOGDJWXPB-SCDSUCTJSA-N 1 2 232.371 3.517 20 0 BHADLO Cc1cc([NH2+][C@@H]2C[C@H](C)[C@@H]2C)ccc1N(C)C ZINC000813865485 586608449 /nfs/dbraw/zinc/60/84/49/586608449.db2.gz YHOBKPOGDJWXPB-VHRBIJSZSA-N 1 2 232.371 3.517 20 0 BHADLO Cc1cc(N[C@@H]2C[C@H](C)[C@@H]2C)ccc1[NH+](C)C ZINC000813865485 586608448 /nfs/dbraw/zinc/60/84/48/586608448.db2.gz YHOBKPOGDJWXPB-VHRBIJSZSA-N 1 2 232.371 3.517 20 0 BHADLO Cc1cc([NH2+][C@@H]2C[C@H](C)[C@H]2C)ccc1N(C)C ZINC000813865486 586608319 /nfs/dbraw/zinc/60/83/19/586608319.db2.gz YHOBKPOGDJWXPB-ZKYQVNSYSA-N 1 2 232.371 3.517 20 0 BHADLO Cc1cc(N[C@@H]2C[C@H](C)[C@H]2C)ccc1[NH+](C)C ZINC000813865486 586608318 /nfs/dbraw/zinc/60/83/18/586608318.db2.gz YHOBKPOGDJWXPB-ZKYQVNSYSA-N 1 2 232.371 3.517 20 0 BHADLO C[C@@H]1C[C@H](Nc2ccc3c(c2)CCC[N@@H+]3C)[C@@H]1C ZINC000813868628 586608431 /nfs/dbraw/zinc/60/84/31/586608431.db2.gz XGEQFARNQOLBGK-JMSVASOKSA-N 1 2 244.382 3.525 20 0 BHADLO C[C@@H]1C[C@H](Nc2ccc3c(c2)CCC[N@H+]3C)[C@@H]1C ZINC000813868628 586608430 /nfs/dbraw/zinc/60/84/30/586608430.db2.gz XGEQFARNQOLBGK-JMSVASOKSA-N 1 2 244.382 3.525 20 0 BHADLO C[C@@H]1C[C@H]([NH2+]c2ccc3c(c2)CCCN3C)[C@@H]1C ZINC000813868628 586608429 /nfs/dbraw/zinc/60/84/29/586608429.db2.gz XGEQFARNQOLBGK-JMSVASOKSA-N 1 2 244.382 3.525 20 0 BHADLO C[C@@H]1C[C@@H](Nc2ccc3c(c2)CCC[N@@H+]3C)[C@@H]1C ZINC000813868629 586608235 /nfs/dbraw/zinc/60/82/35/586608235.db2.gz XGEQFARNQOLBGK-LALPHHSUSA-N 1 2 244.382 3.525 20 0 BHADLO C[C@@H]1C[C@@H](Nc2ccc3c(c2)CCC[N@H+]3C)[C@@H]1C ZINC000813868629 586608234 /nfs/dbraw/zinc/60/82/34/586608234.db2.gz XGEQFARNQOLBGK-LALPHHSUSA-N 1 2 244.382 3.525 20 0 BHADLO C[C@@H]1C[C@@H]([NH2+]c2ccc3c(c2)CCCN3C)[C@@H]1C ZINC000813868629 586608233 /nfs/dbraw/zinc/60/82/33/586608233.db2.gz XGEQFARNQOLBGK-LALPHHSUSA-N 1 2 244.382 3.525 20 0 BHADLO C[C@@H]1C[C@@H](Nc2ccc3c(c2)CCC[N@@H+]3C)[C@H]1C ZINC000813868630 586608461 /nfs/dbraw/zinc/60/84/61/586608461.db2.gz XGEQFARNQOLBGK-TYNCELHUSA-N 1 2 244.382 3.525 20 0 BHADLO C[C@@H]1C[C@@H](Nc2ccc3c(c2)CCC[N@H+]3C)[C@H]1C ZINC000813868630 586608460 /nfs/dbraw/zinc/60/84/60/586608460.db2.gz XGEQFARNQOLBGK-TYNCELHUSA-N 1 2 244.382 3.525 20 0 BHADLO C[C@@H]1C[C@@H]([NH2+]c2ccc3c(c2)CCCN3C)[C@H]1C ZINC000813868630 586608459 /nfs/dbraw/zinc/60/84/59/586608459.db2.gz XGEQFARNQOLBGK-TYNCELHUSA-N 1 2 244.382 3.525 20 0 BHADLO C[C@@H]1C[C@H](Nc2ccc3c(c2)CCC[N@@H+]3C)[C@H]1C ZINC000813868631 586608228 /nfs/dbraw/zinc/60/82/28/586608228.db2.gz XGEQFARNQOLBGK-XUJVJEKNSA-N 1 2 244.382 3.525 20 0 BHADLO C[C@@H]1C[C@H](Nc2ccc3c(c2)CCC[N@H+]3C)[C@H]1C ZINC000813868631 586608227 /nfs/dbraw/zinc/60/82/27/586608227.db2.gz XGEQFARNQOLBGK-XUJVJEKNSA-N 1 2 244.382 3.525 20 0 BHADLO C[C@@H]1C[C@H]([NH2+]c2ccc3c(c2)CCCN3C)[C@H]1C ZINC000813868631 586608226 /nfs/dbraw/zinc/60/82/26/586608226.db2.gz XGEQFARNQOLBGK-XUJVJEKNSA-N 1 2 244.382 3.525 20 0 BHADLO Cc1cc(Cl)ccc1COc1cc[nH+]cc1 ZINC000814265232 586621073 /nfs/dbraw/zinc/62/10/73/586621073.db2.gz IIVZDWANJAZQRX-UHFFFAOYSA-N 1 2 233.698 3.622 20 0 BHADLO Cc1ccc([N@@H+](C)CCC2CCOCC2)c(C)c1 ZINC000814619276 586626689 /nfs/dbraw/zinc/62/66/89/586626689.db2.gz LRLABUNWEWNVKZ-UHFFFAOYSA-N 1 2 247.382 3.556 20 0 BHADLO Cc1ccc([N@H+](C)CCC2CCOCC2)c(C)c1 ZINC000814619276 586626687 /nfs/dbraw/zinc/62/66/87/586626687.db2.gz LRLABUNWEWNVKZ-UHFFFAOYSA-N 1 2 247.382 3.556 20 0 BHADLO Cc1ccc([N@@H+](C)CCC2CCOCC2)cc1C ZINC000814619811 586626993 /nfs/dbraw/zinc/62/69/93/586626993.db2.gz VHQMCCZMUOZSCL-UHFFFAOYSA-N 1 2 247.382 3.556 20 0 BHADLO Cc1ccc([N@H+](C)CCC2CCOCC2)cc1C ZINC000814619811 586626992 /nfs/dbraw/zinc/62/69/92/586626992.db2.gz VHQMCCZMUOZSCL-UHFFFAOYSA-N 1 2 247.382 3.556 20 0 BHADLO CC[N@@H+](CCC1CCOCC1)c1ccc(C)cc1 ZINC000814626290 586627031 /nfs/dbraw/zinc/62/70/31/586627031.db2.gz PWCZYLYKYIRWOC-UHFFFAOYSA-N 1 2 247.382 3.638 20 0 BHADLO CC[N@H+](CCC1CCOCC1)c1ccc(C)cc1 ZINC000814626290 586627030 /nfs/dbraw/zinc/62/70/30/586627030.db2.gz PWCZYLYKYIRWOC-UHFFFAOYSA-N 1 2 247.382 3.638 20 0 BHADLO Cc1[nH+]c(C(C)C)ccc1COC(=O)C(C)(C)C ZINC000815193440 586673553 /nfs/dbraw/zinc/67/35/53/586673553.db2.gz VLLWINVXFRPEKV-UHFFFAOYSA-N 1 2 249.354 3.603 20 0 BHADLO C/C=C(\C)C(=O)OCc1ccc(C(C)C)[nH+]c1C ZINC000815217804 586673924 /nfs/dbraw/zinc/67/39/24/586673924.db2.gz JGBFIMSJHBSAGL-IZZDOVSWSA-N 1 2 247.338 3.523 20 0 BHADLO C/C=C(/C)C(=O)OCc1ccc(C(C)C)[nH+]c1C ZINC000815217805 586673872 /nfs/dbraw/zinc/67/38/72/586673872.db2.gz JGBFIMSJHBSAGL-WDZFZDKYSA-N 1 2 247.338 3.523 20 0 BHADLO Cc1cc(F)ccc1[C@@H](C)[NH2+]C1(C(F)F)CC1 ZINC000815622933 586689484 /nfs/dbraw/zinc/68/94/84/586689484.db2.gz IWFFFAZINSPBKJ-SECBINFHSA-N 1 2 243.272 3.582 20 0 BHADLO Cc1cc(F)ccc1[C@H](C)[NH2+]C1(C(F)F)CC1 ZINC000815622934 586689061 /nfs/dbraw/zinc/68/90/61/586689061.db2.gz IWFFFAZINSPBKJ-VIFPVBQESA-N 1 2 243.272 3.582 20 0 BHADLO CCOc1ccc([NH2+][C@H](C)Cc2ccoc2)cc1 ZINC000823490064 587225939 /nfs/dbraw/zinc/22/59/39/587225939.db2.gz SVFVKXLVFZXAPN-GFCCVEGCSA-N 1 2 245.322 3.721 20 0 BHADLO CCOc1ccc([NH2+][C@@H](C)Cc2ccoc2)cc1 ZINC000823490065 587226314 /nfs/dbraw/zinc/22/63/14/587226314.db2.gz SVFVKXLVFZXAPN-LBPRGKRZSA-N 1 2 245.322 3.721 20 0 BHADLO C/C(=C/C(=O)Nc1c(C)cc[nH+]c1C)C(C)(C)C ZINC000823836055 587241734 /nfs/dbraw/zinc/24/17/34/587241734.db2.gz ARUUXRHIZGYWOJ-LUAWRHEFSA-N 1 2 246.354 3.629 20 0 BHADLO C/C(=C\C(=O)Nc1c(C)cc[nH+]c1C)C(C)(C)C ZINC000823836056 587241592 /nfs/dbraw/zinc/24/15/92/587241592.db2.gz ARUUXRHIZGYWOJ-PKNBQFBNSA-N 1 2 246.354 3.629 20 0 BHADLO C/C(=C/C(C)(C)C)C(=O)Nc1c(C)cc[nH+]c1C ZINC000823836368 587242238 /nfs/dbraw/zinc/24/22/38/587242238.db2.gz JNXKZLPXGFFWPX-LUAWRHEFSA-N 1 2 246.354 3.629 20 0 BHADLO C/C(=C\C(C)(C)C)C(=O)Nc1c(C)cc[nH+]c1C ZINC000823836370 587241990 /nfs/dbraw/zinc/24/19/90/587241990.db2.gz JNXKZLPXGFFWPX-PKNBQFBNSA-N 1 2 246.354 3.629 20 0 BHADLO CCCCCCC(=O)Nc1c(C)cc[nH+]c1C ZINC000823840567 587242411 /nfs/dbraw/zinc/24/24/11/587242411.db2.gz AJHMSYMJRFHIQJ-UHFFFAOYSA-N 1 2 234.343 3.607 20 0 BHADLO Cc1cc[nH+]c(C)c1NC(=O)C=C1CCCCC1 ZINC000823841181 587241909 /nfs/dbraw/zinc/24/19/09/587241909.db2.gz HJNQJSONXFUFBG-UHFFFAOYSA-N 1 2 244.338 3.527 20 0 BHADLO C[C@@]1(F)CCC[N@@H+](Cc2cscc2Cl)C1 ZINC000824471963 587271291 /nfs/dbraw/zinc/27/12/91/587271291.db2.gz KZZHNPTUJNNIJJ-LLVKDONJSA-N 1 2 247.766 3.726 20 0 BHADLO C[C@@]1(F)CCC[N@H+](Cc2cscc2Cl)C1 ZINC000824471963 587271290 /nfs/dbraw/zinc/27/12/90/587271290.db2.gz KZZHNPTUJNNIJJ-LLVKDONJSA-N 1 2 247.766 3.726 20 0 BHADLO C[C@]1(F)CCC[N@@H+](Cc2cscc2Cl)C1 ZINC000824471964 587271523 /nfs/dbraw/zinc/27/15/23/587271523.db2.gz KZZHNPTUJNNIJJ-NSHDSACASA-N 1 2 247.766 3.726 20 0 BHADLO C[C@]1(F)CCC[N@H+](Cc2cscc2Cl)C1 ZINC000824471964 587271522 /nfs/dbraw/zinc/27/15/22/587271522.db2.gz KZZHNPTUJNNIJJ-NSHDSACASA-N 1 2 247.766 3.726 20 0 BHADLO CC[N@@H+](CC1CCC(=O)CC1)c1ccc(C)cc1 ZINC000828172483 587423016 /nfs/dbraw/zinc/42/30/16/587423016.db2.gz FGLBGPQJIKJKNO-UHFFFAOYSA-N 1 2 245.366 3.581 20 0 BHADLO CC[N@H+](CC1CCC(=O)CC1)c1ccc(C)cc1 ZINC000828172483 587423015 /nfs/dbraw/zinc/42/30/15/587423015.db2.gz FGLBGPQJIKJKNO-UHFFFAOYSA-N 1 2 245.366 3.581 20 0 BHADLO Clc1cc(C[N@H+]2CC[C@H]3C[C@H]32)c(Cl)s1 ZINC000828534086 587449006 /nfs/dbraw/zinc/44/90/06/587449006.db2.gz YLXREOJKJVLDBZ-POYBYMJQSA-N 1 2 248.178 3.649 20 0 BHADLO Clc1cc(C[N@@H+]2CC[C@H]3C[C@H]32)c(Cl)s1 ZINC000828534086 587449005 /nfs/dbraw/zinc/44/90/05/587449005.db2.gz YLXREOJKJVLDBZ-POYBYMJQSA-N 1 2 248.178 3.649 20 0 BHADLO Clc1cc(C[N@H+]2CC[C@@H]3C[C@@H]32)c(Cl)s1 ZINC000828534087 587448895 /nfs/dbraw/zinc/44/88/95/587448895.db2.gz YLXREOJKJVLDBZ-SVRRBLITSA-N 1 2 248.178 3.649 20 0 BHADLO Clc1cc(C[N@@H+]2CC[C@@H]3C[C@@H]32)c(Cl)s1 ZINC000828534087 587448894 /nfs/dbraw/zinc/44/88/94/587448894.db2.gz YLXREOJKJVLDBZ-SVRRBLITSA-N 1 2 248.178 3.649 20 0 BHADLO Cl/C=C/C[N@H+]1CCc2sc(Cl)cc2C1 ZINC000828993775 587478172 /nfs/dbraw/zinc/47/81/72/587478172.db2.gz QACZAKRNVUSMFQ-HNQUOIGGSA-N 1 2 248.178 3.512 20 0 BHADLO Cl/C=C/C[N@@H+]1CCc2sc(Cl)cc2C1 ZINC000828993775 587478171 /nfs/dbraw/zinc/47/81/71/587478171.db2.gz QACZAKRNVUSMFQ-HNQUOIGGSA-N 1 2 248.178 3.512 20 0 BHADLO Cl/C=C\C[N@H+]1CCc2sc(Cl)cc2C1 ZINC000828993776 587478214 /nfs/dbraw/zinc/47/82/14/587478214.db2.gz QACZAKRNVUSMFQ-IWQZZHSRSA-N 1 2 248.178 3.512 20 0 BHADLO Cl/C=C\C[N@@H+]1CCc2sc(Cl)cc2C1 ZINC000828993776 587478213 /nfs/dbraw/zinc/47/82/13/587478213.db2.gz QACZAKRNVUSMFQ-IWQZZHSRSA-N 1 2 248.178 3.512 20 0 BHADLO c1cc(N2CCCCCCCC2)nc(C2CC2)[nH+]1 ZINC000829077636 587482254 /nfs/dbraw/zinc/48/22/54/587482254.db2.gz KIVGATACJQFCRF-UHFFFAOYSA-N 1 2 245.370 3.515 20 0 BHADLO Cl/C=C\C[N@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000832225365 587651729 /nfs/dbraw/zinc/65/17/29/587651729.db2.gz LKPUBBSQFGSSFO-AUXFESMGSA-N 1 2 237.730 3.559 20 0 BHADLO Cl/C=C\C[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000832225365 587651728 /nfs/dbraw/zinc/65/17/28/587651728.db2.gz LKPUBBSQFGSSFO-AUXFESMGSA-N 1 2 237.730 3.559 20 0 BHADLO Cl/C=C\C[N@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000832225366 587651167 /nfs/dbraw/zinc/65/11/67/587651167.db2.gz LKPUBBSQFGSSFO-MIBUCLJRSA-N 1 2 237.730 3.559 20 0 BHADLO Cl/C=C\C[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000832225366 587651165 /nfs/dbraw/zinc/65/11/65/587651165.db2.gz LKPUBBSQFGSSFO-MIBUCLJRSA-N 1 2 237.730 3.559 20 0 BHADLO Cl/C=C/C[N@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000832225367 587651373 /nfs/dbraw/zinc/65/13/73/587651373.db2.gz LKPUBBSQFGSSFO-QBODLPLBSA-N 1 2 237.730 3.559 20 0 BHADLO Cl/C=C/C[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000832225367 587651372 /nfs/dbraw/zinc/65/13/72/587651372.db2.gz LKPUBBSQFGSSFO-QBODLPLBSA-N 1 2 237.730 3.559 20 0 BHADLO Cl/C=C/C[N@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000832225368 587651850 /nfs/dbraw/zinc/65/18/50/587651850.db2.gz LKPUBBSQFGSSFO-QDBLGGKGSA-N 1 2 237.730 3.559 20 0 BHADLO Cl/C=C/C[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000832225368 587651848 /nfs/dbraw/zinc/65/18/48/587651848.db2.gz LKPUBBSQFGSSFO-QDBLGGKGSA-N 1 2 237.730 3.559 20 0 BHADLO Cc1ccc(COC(=O)CCCC(C)C)c(C)[nH+]1 ZINC000837826788 587898441 /nfs/dbraw/zinc/89/84/41/587898441.db2.gz IXSCGTJIEIDLBZ-UHFFFAOYSA-N 1 2 249.354 3.568 20 0 BHADLO CC[C@H](C)C[NH2+]c1ccc(OC)c(SC)c1 ZINC000839149110 585092498 /nfs/dbraw/zinc/09/24/98/585092498.db2.gz AXHQYSACWSVHOJ-JTQLQIEISA-N 1 2 239.384 3.875 20 0 BHADLO CC[C@@H](C)C[NH2+]c1ccc(OC)c(SC)c1 ZINC000839149112 585092374 /nfs/dbraw/zinc/09/23/74/585092374.db2.gz AXHQYSACWSVHOJ-SNVBAGLBSA-N 1 2 239.384 3.875 20 0 BHADLO COc1ccc([NH2+]CC2(C)CC2)cc1SC ZINC000839149607 585092458 /nfs/dbraw/zinc/09/24/58/585092458.db2.gz DMFXFZIAUNWXHE-UHFFFAOYSA-N 1 2 237.368 3.629 20 0 BHADLO COc1ccc([NH2+]CC(C)(C)C)cc1SC ZINC000839149637 585092247 /nfs/dbraw/zinc/09/22/47/585092247.db2.gz DTXFOHJZEIZQHJ-UHFFFAOYSA-N 1 2 239.384 3.875 20 0 BHADLO COc1ccc([NH2+]CCC(C)C)cc1SC ZINC000839151309 585092528 /nfs/dbraw/zinc/09/25/28/585092528.db2.gz XBEJMNDIMVRVDG-UHFFFAOYSA-N 1 2 239.384 3.875 20 0 BHADLO CC[N@@H+](C/C(Cl)=C/Cl)Cc1occc1C ZINC000839664024 585334624 /nfs/dbraw/zinc/33/46/24/585334624.db2.gz WXHPILNMGGJKLK-POHAHGRESA-N 1 2 248.153 3.729 20 0 BHADLO CC[N@H+](C/C(Cl)=C/Cl)Cc1occc1C ZINC000839664024 585334623 /nfs/dbraw/zinc/33/46/23/585334623.db2.gz WXHPILNMGGJKLK-POHAHGRESA-N 1 2 248.153 3.729 20 0 BHADLO CC[N@@H+](C/C(Cl)=C\Cl)Cc1occc1C ZINC000839664025 585334454 /nfs/dbraw/zinc/33/44/54/585334454.db2.gz WXHPILNMGGJKLK-UXBLZVDNSA-N 1 2 248.153 3.729 20 0 BHADLO CC[N@H+](C/C(Cl)=C\Cl)Cc1occc1C ZINC000839664025 585334453 /nfs/dbraw/zinc/33/44/53/585334453.db2.gz WXHPILNMGGJKLK-UXBLZVDNSA-N 1 2 248.153 3.729 20 0 BHADLO COc1ccc([NH2+][C@@H](C)C(C)C)cc1SC ZINC000840774088 584989732 /nfs/dbraw/zinc/98/97/32/584989732.db2.gz ISKZJSLOXUAVLS-JTQLQIEISA-N 1 2 239.384 3.874 20 0 BHADLO COc1ccc([NH2+][C@H](C)C(C)C)cc1SC ZINC000840774094 584989770 /nfs/dbraw/zinc/98/97/70/584989770.db2.gz ISKZJSLOXUAVLS-SNVBAGLBSA-N 1 2 239.384 3.874 20 0 BHADLO COc1ccc([NH2+]C2CCCC2)cc1SC ZINC000840775113 584991467 /nfs/dbraw/zinc/99/14/67/584991467.db2.gz LZFGADZCLQQYOA-UHFFFAOYSA-N 1 2 237.368 3.772 20 0 BHADLO Cc1occc1CNc1ccc([NH+](C)C)c(C)c1 ZINC000840909497 587929485 /nfs/dbraw/zinc/92/94/85/587929485.db2.gz SQMICFWPHFTNKY-UHFFFAOYSA-N 1 2 244.338 3.575 20 0 BHADLO COc1ccc([NH2+]C[C@H]2CCC[C@@H](C)C2)cc1N ZINC000841039714 587938584 /nfs/dbraw/zinc/93/85/84/587938584.db2.gz AIUHDAFWKIYLGE-NEPJUHHUSA-N 1 2 248.370 3.516 20 0 BHADLO COc1ccc([NH2+]C[C@@H]2CCC[C@H](C)C2)cc1N ZINC000841039715 587938740 /nfs/dbraw/zinc/93/87/40/587938740.db2.gz AIUHDAFWKIYLGE-NWDGAFQWSA-N 1 2 248.370 3.516 20 0 BHADLO COc1ccc([NH2+]C[C@H]2CCC[C@H](C)C2)cc1N ZINC000841039716 587938443 /nfs/dbraw/zinc/93/84/43/587938443.db2.gz AIUHDAFWKIYLGE-RYUDHWBXSA-N 1 2 248.370 3.516 20 0 BHADLO COc1ccc([NH2+]C[C@@H]2CCC[C@@H](C)C2)cc1N ZINC000841039717 587938538 /nfs/dbraw/zinc/93/85/38/587938538.db2.gz AIUHDAFWKIYLGE-VXGBXAGGSA-N 1 2 248.370 3.516 20 0 BHADLO COc1ccc([NH2+]CC2CCCCCC2)cc1N ZINC000841039802 587938326 /nfs/dbraw/zinc/93/83/26/587938326.db2.gz BWWOJCUNEHXBJK-UHFFFAOYSA-N 1 2 248.370 3.660 20 0 BHADLO COc1ccc([NH2+]CCC2CCCCC2)cc1N ZINC000841040776 587938261 /nfs/dbraw/zinc/93/82/61/587938261.db2.gz SMTWAROSEGXTBT-UHFFFAOYSA-N 1 2 248.370 3.660 20 0 BHADLO COc1ccc([NH2+]C[C@@H]2CCCC[C@H]2C)cc1N ZINC000841040933 587938291 /nfs/dbraw/zinc/93/82/91/587938291.db2.gz WGJHNZGRRNMEPX-NEPJUHHUSA-N 1 2 248.370 3.516 20 0 BHADLO COc1ccc([NH2+]C[C@H]2CCCC[C@@H]2C)cc1N ZINC000841040934 587938710 /nfs/dbraw/zinc/93/87/10/587938710.db2.gz WGJHNZGRRNMEPX-NWDGAFQWSA-N 1 2 248.370 3.516 20 0 BHADLO COc1ccc([NH2+]C[C@@H]2CCCC[C@@H]2C)cc1N ZINC000841040938 587938545 /nfs/dbraw/zinc/93/85/45/587938545.db2.gz WGJHNZGRRNMEPX-RYUDHWBXSA-N 1 2 248.370 3.516 20 0 BHADLO COc1ccc([NH2+]C[C@H]2CCCC[C@H]2C)cc1N ZINC000841040940 587938581 /nfs/dbraw/zinc/93/85/81/587938581.db2.gz WGJHNZGRRNMEPX-VXGBXAGGSA-N 1 2 248.370 3.516 20 0 BHADLO COc1ccc([NH2+][C@H](C)C2CCCCC2)cc1N ZINC000841040970 587938769 /nfs/dbraw/zinc/93/87/69/587938769.db2.gz WNAKZBYVHKKEHT-LLVKDONJSA-N 1 2 248.370 3.658 20 0 BHADLO COc1ccc([NH2+][C@@H](C)C2CCCCC2)cc1N ZINC000841040971 587938387 /nfs/dbraw/zinc/93/83/87/587938387.db2.gz WNAKZBYVHKKEHT-NSHDSACASA-N 1 2 248.370 3.658 20 0 BHADLO CCCC[NH2+]c1ccc(OC)c(SC)c1 ZINC000841697744 583207612 /nfs/dbraw/zinc/20/76/12/583207612.db2.gz AAURPTISIMNWCB-UHFFFAOYSA-N 1 2 225.357 3.629 20 0 BHADLO Cc1ccc(N[C@@H](C)c2[nH]cc[nH+]2)c(Cl)c1C ZINC000842892361 588071000 /nfs/dbraw/zinc/07/10/00/588071000.db2.gz BVEBKDOGWCBRPT-JTQLQIEISA-N 1 2 249.745 3.853 20 0 BHADLO Cc1ccc(N[C@H](C)c2[nH]cc[nH+]2)c(Cl)c1C ZINC000842892365 588070913 /nfs/dbraw/zinc/07/09/13/588070913.db2.gz BVEBKDOGWCBRPT-SNVBAGLBSA-N 1 2 249.745 3.853 20 0 BHADLO Cc1cc(-c2ccc(OC3CCC3)cc2)cc[nH+]1 ZINC000844232286 588175419 /nfs/dbraw/zinc/17/54/19/588175419.db2.gz LTWTYCMYCSTPFK-UHFFFAOYSA-N 1 2 239.318 3.988 20 0 BHADLO CCCC(C)(C)C(=O)OCc1ccc(C)[nH+]c1C ZINC000845356496 588227868 /nfs/dbraw/zinc/22/78/68/588227868.db2.gz GEDKHZHNPCPNIE-UHFFFAOYSA-N 1 2 249.354 3.568 20 0 BHADLO CCCCC[C@@H](C)Nc1cc(COC)cc[nH+]1 ZINC000846117278 588257701 /nfs/dbraw/zinc/25/77/01/588257701.db2.gz MFRUYEYGNUKGFF-GFCCVEGCSA-N 1 2 236.359 3.609 20 0 BHADLO CCCCC[C@H](C)Nc1cc(COC)cc[nH+]1 ZINC000846117279 588257910 /nfs/dbraw/zinc/25/79/10/588257910.db2.gz MFRUYEYGNUKGFF-LBPRGKRZSA-N 1 2 236.359 3.609 20 0 BHADLO CSc1cc(N[C@@H](C)c2[nH]cc[nH+]2)ccc1C ZINC000846215022 588260565 /nfs/dbraw/zinc/26/05/65/588260565.db2.gz IPZVOAAGKUQHIT-JTQLQIEISA-N 1 2 247.367 3.613 20 0 BHADLO CSc1cc(N[C@H](C)c2[nH]cc[nH+]2)ccc1C ZINC000846215023 588260324 /nfs/dbraw/zinc/26/03/24/588260324.db2.gz IPZVOAAGKUQHIT-SNVBAGLBSA-N 1 2 247.367 3.613 20 0 BHADLO CC(C)c1ccccc1C[NH2+]CC(C)(F)F ZINC000848553707 588396275 /nfs/dbraw/zinc/39/62/75/588396275.db2.gz PJCYIOOOZQXJRI-UHFFFAOYSA-N 1 2 227.298 3.555 20 0 BHADLO Cc1cc(N[C@H](C)c2[nH]cc[nH+]2)ccc1Cl ZINC000848567709 588398313 /nfs/dbraw/zinc/39/83/13/588398313.db2.gz LNGWPSUXBMVVKA-SECBINFHSA-N 1 2 235.718 3.545 20 0 BHADLO Cc1cc(N[C@@H](C)c2[nH]cc[nH+]2)ccc1Cl ZINC000848567710 588398168 /nfs/dbraw/zinc/39/81/68/588398168.db2.gz LNGWPSUXBMVVKA-VIFPVBQESA-N 1 2 235.718 3.545 20 0 BHADLO C=COc1ccc([NH2+]CC[C@@H]2CCCCO2)cc1 ZINC000849317515 588472024 /nfs/dbraw/zinc/47/20/24/588472024.db2.gz SDZKFMWHNZWHQR-AWEZNQCLSA-N 1 2 247.338 3.580 20 0 BHADLO C=COc1ccc([NH2+]CC[C@H]2CCCCO2)cc1 ZINC000849317516 588472161 /nfs/dbraw/zinc/47/21/61/588472161.db2.gz SDZKFMWHNZWHQR-CQSZACIVSA-N 1 2 247.338 3.580 20 0 BHADLO C=COc1ccc([NH2+][C@@H]2CCCSCC2)cc1 ZINC000850474537 588549527 /nfs/dbraw/zinc/54/95/27/588549527.db2.gz OOMWKDASSCCUOQ-GFCCVEGCSA-N 1 2 249.379 3.907 20 0 BHADLO C=COc1ccc([NH2+][C@H]2CCCSCC2)cc1 ZINC000850474538 588548629 /nfs/dbraw/zinc/54/86/29/588548629.db2.gz OOMWKDASSCCUOQ-LBPRGKRZSA-N 1 2 249.379 3.907 20 0 BHADLO C[N@@H+](CC=C(Cl)Cl)Cc1ccccc1F ZINC000851712428 588615765 /nfs/dbraw/zinc/61/57/65/588615765.db2.gz OHMBRLZMVJBTAX-UHFFFAOYSA-N 1 2 248.128 3.577 20 0 BHADLO C[N@H+](CC=C(Cl)Cl)Cc1ccccc1F ZINC000851712428 588615764 /nfs/dbraw/zinc/61/57/64/588615764.db2.gz OHMBRLZMVJBTAX-UHFFFAOYSA-N 1 2 248.128 3.577 20 0 BHADLO C[N@@H+](CC=C(Cl)Cl)Cc1ccc(F)cc1 ZINC000851712449 588615825 /nfs/dbraw/zinc/61/58/25/588615825.db2.gz OQBJLZRDAUCMTG-UHFFFAOYSA-N 1 2 248.128 3.577 20 0 BHADLO C[N@H+](CC=C(Cl)Cl)Cc1ccc(F)cc1 ZINC000851712449 588615824 /nfs/dbraw/zinc/61/58/24/588615824.db2.gz OQBJLZRDAUCMTG-UHFFFAOYSA-N 1 2 248.128 3.577 20 0 BHADLO C[N@@H+](CC=C(Cl)Cl)Cc1cccc(F)c1 ZINC000851718617 588616865 /nfs/dbraw/zinc/61/68/65/588616865.db2.gz NAWFOXIVBHTSRA-UHFFFAOYSA-N 1 2 248.128 3.577 20 0 BHADLO C[N@H+](CC=C(Cl)Cl)Cc1cccc(F)c1 ZINC000851718617 588616864 /nfs/dbraw/zinc/61/68/64/588616864.db2.gz NAWFOXIVBHTSRA-UHFFFAOYSA-N 1 2 248.128 3.577 20 0 BHADLO CC(C)[N@@H+](CC=C(Cl)Cl)Cc1ccco1 ZINC000851738402 588621001 /nfs/dbraw/zinc/62/10/01/588621001.db2.gz FUHQIRDFWDYRCM-UHFFFAOYSA-N 1 2 248.153 3.809 20 0 BHADLO CC(C)[N@H+](CC=C(Cl)Cl)Cc1ccco1 ZINC000851738402 588621000 /nfs/dbraw/zinc/62/10/00/588621000.db2.gz FUHQIRDFWDYRCM-UHFFFAOYSA-N 1 2 248.153 3.809 20 0 BHADLO C[C@H](c1ccco1)[N@@H+](C)CC=C(Cl)Cl ZINC000851738746 588620922 /nfs/dbraw/zinc/62/09/22/588620922.db2.gz QHQYSRZFKMGXIP-MRVPVSSYSA-N 1 2 234.126 3.591 20 0 BHADLO C[C@H](c1ccco1)[N@H+](C)CC=C(Cl)Cl ZINC000851738746 588620921 /nfs/dbraw/zinc/62/09/21/588620921.db2.gz QHQYSRZFKMGXIP-MRVPVSSYSA-N 1 2 234.126 3.591 20 0 BHADLO C[C@@H](c1ccco1)[N@@H+](C)CC=C(Cl)Cl ZINC000851738747 588620731 /nfs/dbraw/zinc/62/07/31/588620731.db2.gz QHQYSRZFKMGXIP-QMMMGPOBSA-N 1 2 234.126 3.591 20 0 BHADLO C[C@@H](c1ccco1)[N@H+](C)CC=C(Cl)Cl ZINC000851738747 588620730 /nfs/dbraw/zinc/62/07/30/588620730.db2.gz QHQYSRZFKMGXIP-QMMMGPOBSA-N 1 2 234.126 3.591 20 0 BHADLO ClC(Cl)=CC[N@H+]1CC[C@@H]1c1ccccc1 ZINC000851799448 588630375 /nfs/dbraw/zinc/63/03/75/588630375.db2.gz AJEPYGFOKNXMGJ-LLVKDONJSA-N 1 2 242.149 3.752 20 0 BHADLO ClC(Cl)=CC[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000851799448 588630374 /nfs/dbraw/zinc/63/03/74/588630374.db2.gz AJEPYGFOKNXMGJ-LLVKDONJSA-N 1 2 242.149 3.752 20 0 BHADLO ClC(Cl)=CC[N@H+]1CC[C@H]1c1ccccc1 ZINC000851799452 588630448 /nfs/dbraw/zinc/63/04/48/588630448.db2.gz AJEPYGFOKNXMGJ-NSHDSACASA-N 1 2 242.149 3.752 20 0 BHADLO ClC(Cl)=CC[N@@H+]1CC[C@H]1c1ccccc1 ZINC000851799452 588630447 /nfs/dbraw/zinc/63/04/47/588630447.db2.gz AJEPYGFOKNXMGJ-NSHDSACASA-N 1 2 242.149 3.752 20 0 BHADLO CC[C@@H]1CCC[C@H](C)[N@H+]1CC(F)(F)C(F)F ZINC000852711779 588696950 /nfs/dbraw/zinc/69/69/50/588696950.db2.gz HRGYHBSLXAHARN-DTWKUNHWSA-N 1 2 241.272 3.540 20 0 BHADLO CC[C@@H]1CCC[C@H](C)[N@@H+]1CC(F)(F)C(F)F ZINC000852711779 588696949 /nfs/dbraw/zinc/69/69/49/588696949.db2.gz HRGYHBSLXAHARN-DTWKUNHWSA-N 1 2 241.272 3.540 20 0 BHADLO CCCCCCc1csc(Cn2cc[nH+]c2)n1 ZINC000853002307 588715242 /nfs/dbraw/zinc/71/52/42/588715242.db2.gz KVPRWMQWMYEIDV-UHFFFAOYSA-N 1 2 249.383 3.511 20 0 BHADLO COc1ccc([NH2+]CC2CC=CC2)cc1SC ZINC000853062997 588718338 /nfs/dbraw/zinc/71/83/38/588718338.db2.gz YBKIKMDLCUNOTC-UHFFFAOYSA-N 1 2 249.379 3.795 20 0 BHADLO Cc1cc(-c2ccc(N)c(C(C)C)c2)cc[nH+]1 ZINC000854176661 588778082 /nfs/dbraw/zinc/77/80/82/588778082.db2.gz SSTQHOKIADBFGD-UHFFFAOYSA-N 1 2 226.323 3.763 20 0 BHADLO FC(F)[C@H]([NH2+]C/C=C\Cl)C1CCCCC1 ZINC000856825228 588879159 /nfs/dbraw/zinc/87/91/59/588879159.db2.gz ZVKIAVBHHPUCSO-ISGFRBBESA-N 1 2 237.721 3.543 20 0 BHADLO FC(F)[C@H]([NH2+]C/C=C/Cl)C1CCCCC1 ZINC000856825229 588879211 /nfs/dbraw/zinc/87/92/11/588879211.db2.gz ZVKIAVBHHPUCSO-LJJSCBMDSA-N 1 2 237.721 3.543 20 0 BHADLO FC(F)[C@@H]([NH2+]C/C=C/Cl)C1CCCCC1 ZINC000856825230 588879106 /nfs/dbraw/zinc/87/91/06/588879106.db2.gz ZVKIAVBHHPUCSO-QBBOHKLWSA-N 1 2 237.721 3.543 20 0 BHADLO FC(F)[C@@H]([NH2+]C/C=C\Cl)C1CCCCC1 ZINC000856825231 588879223 /nfs/dbraw/zinc/87/92/23/588879223.db2.gz ZVKIAVBHHPUCSO-VAWSOJLPSA-N 1 2 237.721 3.543 20 0 BHADLO CC[C@@H](C)c1cccc(NCc2cn(C)c[nH+]2)c1 ZINC000858213163 588938882 /nfs/dbraw/zinc/93/88/82/588938882.db2.gz HBBZPYOXOIIOEO-GFCCVEGCSA-N 1 2 243.354 3.546 20 0 BHADLO CC[C@H](C)c1cccc(NCc2cn(C)c[nH+]2)c1 ZINC000858213164 588938949 /nfs/dbraw/zinc/93/89/49/588938949.db2.gz HBBZPYOXOIIOEO-LBPRGKRZSA-N 1 2 243.354 3.546 20 0 BHADLO C[C@]1(F)CCCN(c2[nH+]ccc3ccccc32)C1 ZINC000858555914 588965208 /nfs/dbraw/zinc/96/52/08/588965208.db2.gz BRSXBSNWJZOWSE-HNNXBMFYSA-N 1 2 244.313 3.563 20 0 BHADLO C[C@@]1(F)CCCN(c2[nH+]ccc3ccccc32)C1 ZINC000858555918 588965152 /nfs/dbraw/zinc/96/51/52/588965152.db2.gz BRSXBSNWJZOWSE-OAHLLOKOSA-N 1 2 244.313 3.563 20 0 BHADLO CC(C)SCSc1[nH+]cc2ccccn21 ZINC000863259622 589275237 /nfs/dbraw/zinc/27/52/37/589275237.db2.gz BNQQRVILZQXZNM-UHFFFAOYSA-N 1 2 238.381 3.526 20 0 BHADLO c1cc2cccc(-c3c[nH+]c4n3CCCC4)c2o1 ZINC000863974388 589331070 /nfs/dbraw/zinc/33/10/70/589331070.db2.gz FUOAARCUWGRMNK-UHFFFAOYSA-N 1 2 238.290 3.633 20 0 BHADLO c1[nH+]c2n(c1-c1cc3ccccc3o1)CCCC2 ZINC000863974692 589330851 /nfs/dbraw/zinc/33/08/51/589330851.db2.gz MTXKEGPJYSFFIM-UHFFFAOYSA-N 1 2 238.290 3.633 20 0 BHADLO CC(C)c1[nH+]cc(-c2cccc3ccoc32)n1C ZINC000863974702 589331163 /nfs/dbraw/zinc/33/11/63/589331163.db2.gz NHPVYNVJILWLGI-UHFFFAOYSA-N 1 2 240.306 3.957 20 0 BHADLO CC(C)c1[nH+]cc(-c2cccc3cc[nH]c32)n1C ZINC000863974905 589331239 /nfs/dbraw/zinc/33/12/39/589331239.db2.gz WGTOYIWRLMZVQG-UHFFFAOYSA-N 1 2 239.322 3.692 20 0 BHADLO c1cc2ccc(-c3c[nH+]c4n3CCCC4)cc2o1 ZINC000863975004 589331196 /nfs/dbraw/zinc/33/11/96/589331196.db2.gz ARDCIFMPJXHNCK-UHFFFAOYSA-N 1 2 238.290 3.633 20 0 BHADLO Cc1ccc(F)cc1-c1c[nH+]c(C(C)C)n1C ZINC000863975096 589330889 /nfs/dbraw/zinc/33/08/89/589330889.db2.gz FQUFQRNSMZFQMP-UHFFFAOYSA-N 1 2 232.302 3.658 20 0 BHADLO CC(C)c1[nH+]cc(-c2ccc3ccoc3c2)n1C ZINC000863975422 589331125 /nfs/dbraw/zinc/33/11/25/589331125.db2.gz PKXVCKXMHOIHRM-UHFFFAOYSA-N 1 2 240.306 3.957 20 0 BHADLO CCOc1cccc(-c2c[nH+]c(C(C)C)n2C)c1 ZINC000863975993 589331609 /nfs/dbraw/zinc/33/16/09/589331609.db2.gz RTMWMFDQOIFQAV-UHFFFAOYSA-N 1 2 244.338 3.609 20 0 BHADLO CC(C)Cc1cc(N[C@@H](C(C)C)C2CC2)nc[nH+]1 ZINC000864093979 589344239 /nfs/dbraw/zinc/34/42/39/589344239.db2.gz YZOXEUMDNQWVJS-HNNXBMFYSA-N 1 2 247.386 3.522 20 0 BHADLO CC(C)Cc1cc(N[C@H](C(C)C)C2CC2)nc[nH+]1 ZINC000864093980 589344265 /nfs/dbraw/zinc/34/42/65/589344265.db2.gz YZOXEUMDNQWVJS-OAHLLOKOSA-N 1 2 247.386 3.522 20 0 BHADLO CC(C)(C)c1cn(CCC(F)=C(F)F)c[nH+]1 ZINC000865376240 589428342 /nfs/dbraw/zinc/42/83/42/589428342.db2.gz FWLZVPJYUZGJIT-UHFFFAOYSA-N 1 2 232.249 3.648 20 0 BHADLO CC[C@@H](CC(F)F)Cn1c[nH+]c(C(C)(C)C)c1 ZINC000865376427 589428401 /nfs/dbraw/zinc/42/84/01/589428401.db2.gz MWUIBUYLTNHIPR-JTQLQIEISA-N 1 2 244.329 3.862 20 0 BHADLO CC[C@H](CC(F)F)Cn1c[nH+]c(C(C)(C)C)c1 ZINC000865376428 589428501 /nfs/dbraw/zinc/42/85/01/589428501.db2.gz MWUIBUYLTNHIPR-SNVBAGLBSA-N 1 2 244.329 3.862 20 0 BHADLO CC(C)(C)c1cn(CCCCC(F)(F)F)c[nH+]1 ZINC000865376563 589428763 /nfs/dbraw/zinc/42/87/63/589428763.db2.gz TVVDGLSAAWFNLX-UHFFFAOYSA-N 1 2 248.292 3.913 20 0 BHADLO CC(C)(C)c1cn(Cc2ccc(CF)cc2)c[nH+]1 ZINC000865376660 589428709 /nfs/dbraw/zinc/42/87/09/589428709.db2.gz XSPIMRLOFPPZQN-UHFFFAOYSA-N 1 2 246.329 3.698 20 0 BHADLO CC(C)(C)SCCn1c[nH+]c(C(C)(C)C)c1 ZINC000865376704 636813158 /nfs/dbraw/zinc/81/31/58/636813158.db2.gz ZNMVKVGPBHFMES-UHFFFAOYSA-N 1 2 240.416 3.712 20 0 BHADLO CC[C@H]1CC[C@H](Nc2ccc([C@H](C)O)c[nH+]2)CC1 ZINC000865830841 589463745 /nfs/dbraw/zinc/46/37/45/589463745.db2.gz QIOSTRAZBCZWPV-OBJOEFQTSA-N 1 2 248.370 3.516 20 0 BHADLO CC[C@H]1CC[C@H](Nc2ccc([C@@H](C)O)c[nH+]2)CC1 ZINC000865830842 589463732 /nfs/dbraw/zinc/46/37/32/589463732.db2.gz QIOSTRAZBCZWPV-YRGRVCCFSA-N 1 2 248.370 3.516 20 0 BHADLO CC(C)=CCC[C@@H](C)Nc1ccc([C@@H](C)O)c[nH+]1 ZINC000865849524 589464854 /nfs/dbraw/zinc/46/48/54/589464854.db2.gz ZVGXRALLWVQOKC-CHWSQXEVSA-N 1 2 248.370 3.682 20 0 BHADLO CC(C)=CCC[C@@H](C)Nc1ccc([C@H](C)O)c[nH+]1 ZINC000865849525 589465030 /nfs/dbraw/zinc/46/50/30/589465030.db2.gz ZVGXRALLWVQOKC-OLZOCXBDSA-N 1 2 248.370 3.682 20 0 BHADLO CC(C)=CCC[C@H](C)Nc1ccc([C@@H](C)O)c[nH+]1 ZINC000865849526 589465018 /nfs/dbraw/zinc/46/50/18/589465018.db2.gz ZVGXRALLWVQOKC-QWHCGFSZSA-N 1 2 248.370 3.682 20 0 BHADLO CC(C)=CCC[C@H](C)Nc1ccc([C@H](C)O)c[nH+]1 ZINC000865849527 589464998 /nfs/dbraw/zinc/46/49/98/589464998.db2.gz ZVGXRALLWVQOKC-STQMWFEESA-N 1 2 248.370 3.682 20 0 BHADLO CC(C)(C)OC1CCC(Nc2cccc[nH+]2)CC1 ZINC000866049874 589474255 /nfs/dbraw/zinc/47/42/55/589474255.db2.gz TUONSXWPLABYIR-UHFFFAOYSA-N 1 2 248.370 3.620 20 0 BHADLO C[C@@H](Nc1ccc(C2CC2)cc1F)c1[nH]cc[nH+]1 ZINC000866610213 589504439 /nfs/dbraw/zinc/50/44/39/589504439.db2.gz XPSNQGWTVGCZAM-SECBINFHSA-N 1 2 245.301 3.599 20 0 BHADLO C[C@H](Nc1ccc(C2CC2)cc1F)c1[nH]cc[nH+]1 ZINC000866610215 589504477 /nfs/dbraw/zinc/50/44/77/589504477.db2.gz XPSNQGWTVGCZAM-VIFPVBQESA-N 1 2 245.301 3.599 20 0 BHADLO CCC(CC)SCc1[nH+]ccn1CC(F)F ZINC000871651706 589782109 /nfs/dbraw/zinc/78/21/09/589782109.db2.gz LHXGTLYFTWGLHY-UHFFFAOYSA-N 1 2 248.342 3.570 20 0 BHADLO CCCCCSCc1[nH+]ccn1CC(F)F ZINC000871664806 589784656 /nfs/dbraw/zinc/78/46/56/589784656.db2.gz HAQCURNAEJLHJE-UHFFFAOYSA-N 1 2 248.342 3.572 20 0 BHADLO CC(C)(C)SCn1c[nH+]c(C(C)(C)C)c1 ZINC000871680568 589789971 /nfs/dbraw/zinc/78/99/71/589789971.db2.gz CUKAAZLRZMGLKS-UHFFFAOYSA-N 1 2 226.389 3.670 20 0 BHADLO CC[N@@H+](Cc1c(Cl)cncc1Cl)C(C)C ZINC000876559679 584886302 /nfs/dbraw/zinc/88/63/02/584886302.db2.gz AALOEYNLDWJILO-UHFFFAOYSA-N 1 2 247.169 3.619 20 0 BHADLO CC[N@H+](Cc1c(Cl)cncc1Cl)C(C)C ZINC000876559679 584886300 /nfs/dbraw/zinc/88/63/00/584886300.db2.gz AALOEYNLDWJILO-UHFFFAOYSA-N 1 2 247.169 3.619 20 0 BHADLO CSC(C)(C)CCNc1cc2cc[nH]c2c[nH+]1 ZINC000877617720 590375808 /nfs/dbraw/zinc/37/58/08/590375808.db2.gz SXPYPDOGAOLMJT-UHFFFAOYSA-N 1 2 249.383 3.507 20 0 BHADLO C[N@@H+](Cc1c(Cl)cncc1Cl)C(C)(C)C ZINC000878769341 590620290 /nfs/dbraw/zinc/62/02/90/590620290.db2.gz OHKKFQRRZHCXBN-UHFFFAOYSA-N 1 2 247.169 3.619 20 0 BHADLO C[N@H+](Cc1c(Cl)cncc1Cl)C(C)(C)C ZINC000878769341 590620289 /nfs/dbraw/zinc/62/02/89/590620289.db2.gz OHKKFQRRZHCXBN-UHFFFAOYSA-N 1 2 247.169 3.619 20 0 BHADLO Cc1ccc([C@@H](C)Nc2nc[nH+]c(C)c2C)s1 ZINC000881837031 591274134 /nfs/dbraw/zinc/27/41/34/591274134.db2.gz MQYWIAMHCZTDBH-LLVKDONJSA-N 1 2 247.367 3.636 20 0 BHADLO Cc1ccc([C@H](C)Nc2nc[nH+]c(C)c2C)s1 ZINC000881837032 591273714 /nfs/dbraw/zinc/27/37/14/591273714.db2.gz MQYWIAMHCZTDBH-NSHDSACASA-N 1 2 247.367 3.636 20 0 BHADLO FCCCCNc1cc2ccc(F)cc2c[nH+]1 ZINC000882388689 591341054 /nfs/dbraw/zinc/34/10/54/591341054.db2.gz QZEXBROVHMQRBC-UHFFFAOYSA-N 1 2 236.265 3.536 20 0 BHADLO Cc1ccc(NCc2[nH]cc(C(C)C)[nH+]2)c(C)c1 ZINC000882905356 591472679 /nfs/dbraw/zinc/47/26/79/591472679.db2.gz BFUWQNCULVAYPZ-UHFFFAOYSA-N 1 2 243.354 3.762 20 0 BHADLO CCc1ccccc1NCc1[nH]cc(C(C)C)[nH+]1 ZINC000882905688 591472708 /nfs/dbraw/zinc/47/27/08/591472708.db2.gz PLVZEEJTDONHGL-UHFFFAOYSA-N 1 2 243.354 3.708 20 0 BHADLO Cc1cccc(NCc2[nH]cc(C(C)C)[nH+]2)c1C ZINC000882905828 591472230 /nfs/dbraw/zinc/47/22/30/591472230.db2.gz VSVWDQBAUUWUSQ-UHFFFAOYSA-N 1 2 243.354 3.762 20 0 BHADLO Cc1cc(F)ccc1NCc1[nH]cc(C(C)C)[nH+]1 ZINC000882906306 591472770 /nfs/dbraw/zinc/47/27/70/591472770.db2.gz XVXFXYPXWCINOZ-UHFFFAOYSA-N 1 2 247.317 3.593 20 0 BHADLO Cc1cc(C)cc(NCc2[nH]cc(C(C)C)[nH+]2)c1 ZINC000882906459 591473634 /nfs/dbraw/zinc/47/36/34/591473634.db2.gz HBCMVWQSCVXIKY-UHFFFAOYSA-N 1 2 243.354 3.762 20 0 BHADLO CCc1ccc(NCc2[nH]cc(C(C)C)[nH+]2)cc1 ZINC000882906558 591473307 /nfs/dbraw/zinc/47/33/07/591473307.db2.gz LZZDXBYCPFGRDJ-UHFFFAOYSA-N 1 2 243.354 3.708 20 0 BHADLO Cc1ccc(NCc2[nH]cc(C(C)C)[nH+]2)cc1C ZINC000882906643 591473554 /nfs/dbraw/zinc/47/35/54/591473554.db2.gz PQHXVPAFCPRHNN-UHFFFAOYSA-N 1 2 243.354 3.762 20 0 BHADLO CCc1cccc(NCc2[nH]cc(C(C)C)[nH+]2)c1 ZINC000882907397 591473864 /nfs/dbraw/zinc/47/38/64/591473864.db2.gz ZAHYZHKTTVGPNA-UHFFFAOYSA-N 1 2 243.354 3.708 20 0 BHADLO Cc1ccc(NCc2[nH]cc(C(C)C)[nH+]2)cc1F ZINC000882907409 591473374 /nfs/dbraw/zinc/47/33/74/591473374.db2.gz ZPQVDCUERWQWLQ-UHFFFAOYSA-N 1 2 247.317 3.593 20 0 BHADLO CC(C)c1c[nH]c(CNc2cccc(Cl)c2)[nH+]1 ZINC000882942464 591479748 /nfs/dbraw/zinc/47/97/48/591479748.db2.gz DDHHYTTYXHGEGO-UHFFFAOYSA-N 1 2 249.745 3.799 20 0 BHADLO F[C@H]1CCc2ccccc2[C@H]1Nc1cccc[nH+]1 ZINC000882990815 591498090 /nfs/dbraw/zinc/49/80/90/591498090.db2.gz BCBYPCWTHAETJU-DZGCQCFKSA-N 1 2 242.297 3.519 20 0 BHADLO F[C@@H]1CCc2ccccc2[C@@H]1Nc1cccc[nH+]1 ZINC000882990816 591498193 /nfs/dbraw/zinc/49/81/93/591498193.db2.gz BCBYPCWTHAETJU-HIFRSBDPSA-N 1 2 242.297 3.519 20 0 BHADLO F[C@@H]1CCc2ccccc2[C@H]1Nc1cccc[nH+]1 ZINC000882990817 591497497 /nfs/dbraw/zinc/49/74/97/591497497.db2.gz BCBYPCWTHAETJU-UKRRQHHQSA-N 1 2 242.297 3.519 20 0 BHADLO F[C@H]1CCc2ccccc2[C@@H]1Nc1cccc[nH+]1 ZINC000882990818 591498166 /nfs/dbraw/zinc/49/81/66/591498166.db2.gz BCBYPCWTHAETJU-ZFWWWQNUSA-N 1 2 242.297 3.519 20 0 BHADLO c1ccc(N2C[C@@H]3CC[C@H]2c2ccccc23)[nH+]c1 ZINC000882993226 591497463 /nfs/dbraw/zinc/49/74/63/591497463.db2.gz MDYZIGHXZKLVGS-WFASDCNBSA-N 1 2 236.318 3.520 20 0 BHADLO CC(C)c1c[nH]c(CNc2ccc(Cl)cc2)[nH+]1 ZINC000883051649 591529012 /nfs/dbraw/zinc/52/90/12/591529012.db2.gz JLMKJUBZKWDZHI-UHFFFAOYSA-N 1 2 249.745 3.799 20 0 BHADLO Cc1ccc(C)c(NCc2[nH]cc(C(C)C)[nH+]2)c1 ZINC000883051767 591529218 /nfs/dbraw/zinc/52/92/18/591529218.db2.gz NBVGWDCMTUMUTE-UHFFFAOYSA-N 1 2 243.354 3.762 20 0 BHADLO CC(C)c1c[nH]c(CNc2ccccc2Cl)[nH+]1 ZINC000883051869 591529505 /nfs/dbraw/zinc/52/95/05/591529505.db2.gz QZIMGKZTFJHRHA-UHFFFAOYSA-N 1 2 249.745 3.799 20 0 BHADLO Cc1ccc(F)cc1NCc1[nH]cc(C(C)C)[nH+]1 ZINC000883052038 591529042 /nfs/dbraw/zinc/52/90/42/591529042.db2.gz WMFMILLIZDVRJS-UHFFFAOYSA-N 1 2 247.317 3.593 20 0 BHADLO Cc1cc(F)cc(NCc2[nH]cc(C(C)C)[nH+]2)c1 ZINC000883053030 591530587 /nfs/dbraw/zinc/53/05/87/591530587.db2.gz IQTXRQKSPBLGRV-UHFFFAOYSA-N 1 2 247.317 3.593 20 0 BHADLO Cc1c(F)cccc1NCc1[nH]cc(C(C)C)[nH+]1 ZINC000883053856 591530615 /nfs/dbraw/zinc/53/06/15/591530615.db2.gz NWAZSVGIYUNSCX-UHFFFAOYSA-N 1 2 247.317 3.593 20 0 BHADLO Cc1cc(NCc2[nH]cc(C(C)C)[nH+]2)ccc1F ZINC000883077176 591535954 /nfs/dbraw/zinc/53/59/54/591535954.db2.gz BCRXCKBCSLYLET-UHFFFAOYSA-N 1 2 247.317 3.593 20 0 BHADLO Cc1ccc(NCc2[nH]cc(C(C)C)[nH+]2)c(F)c1 ZINC000883077913 591536001 /nfs/dbraw/zinc/53/60/01/591536001.db2.gz ATCWDAYSGAZOIV-UHFFFAOYSA-N 1 2 247.317 3.593 20 0 BHADLO Cc1ccc(F)c(NCc2[nH]cc(C(C)C)[nH+]2)c1 ZINC000883078359 591535353 /nfs/dbraw/zinc/53/53/53/591535353.db2.gz OIOPDQKMUDSZRA-UHFFFAOYSA-N 1 2 247.317 3.593 20 0 BHADLO Cc1cccc(NCc2[nH]cc(C(C)C)[nH+]2)c1F ZINC000883083699 591536799 /nfs/dbraw/zinc/53/67/99/591536799.db2.gz VWDQOXRKVXXPRJ-UHFFFAOYSA-N 1 2 247.317 3.593 20 0 BHADLO FC(F)(F)[C@H]([NH2+][C@@H]1CCCC2(CC2)C1)C1CC1 ZINC000883223008 591578078 /nfs/dbraw/zinc/57/80/78/591578078.db2.gz GMNMJQKZNMLWFW-GHMZBOCLSA-N 1 2 247.304 3.640 20 0 BHADLO FC(F)(F)[C@@H]([NH2+][C@@H]1CCCC2(CC2)C1)C1CC1 ZINC000883223009 591577541 /nfs/dbraw/zinc/57/75/41/591577541.db2.gz GMNMJQKZNMLWFW-MNOVXSKESA-N 1 2 247.304 3.640 20 0 BHADLO FC(F)(F)[C@@H]([NH2+][C@H]1CCCC2(CC2)C1)C1CC1 ZINC000883223010 591577799 /nfs/dbraw/zinc/57/77/99/591577799.db2.gz GMNMJQKZNMLWFW-QWRGUYRKSA-N 1 2 247.304 3.640 20 0 BHADLO FC(F)(F)[C@H]([NH2+][C@H]1CCCC2(CC2)C1)C1CC1 ZINC000883223011 591577860 /nfs/dbraw/zinc/57/78/60/591577860.db2.gz GMNMJQKZNMLWFW-WDEREUQCSA-N 1 2 247.304 3.640 20 0 BHADLO Cc1cc(N[C@H](C)c2ccsc2)c[nH+]c1C ZINC000883341300 591620317 /nfs/dbraw/zinc/62/03/17/591620317.db2.gz MRZFCXIREZOPIC-LLVKDONJSA-N 1 2 232.352 3.933 20 0 BHADLO Cc1cc(N[C@@H](C)c2ccsc2)c[nH+]c1C ZINC000883341301 591615878 /nfs/dbraw/zinc/61/58/78/591615878.db2.gz MRZFCXIREZOPIC-NSHDSACASA-N 1 2 232.352 3.933 20 0 BHADLO Cc1ccc([C@@H](C)Nc2c[nH+]c(C)c(C)c2)o1 ZINC000883341361 591620349 /nfs/dbraw/zinc/62/03/49/591620349.db2.gz OJECGKYPZGNOQS-GFCCVEGCSA-N 1 2 230.311 3.773 20 0 BHADLO Cc1ccc([C@H](C)Nc2c[nH+]c(C)c(C)c2)o1 ZINC000883341362 591620281 /nfs/dbraw/zinc/62/02/81/591620281.db2.gz OJECGKYPZGNOQS-LBPRGKRZSA-N 1 2 230.311 3.773 20 0 BHADLO CSc1ccc(CNc2c[nH+]c(C)c(C)c2)o1 ZINC000883341545 591620045 /nfs/dbraw/zinc/62/00/45/591620045.db2.gz SSRHOOGASLFINW-UHFFFAOYSA-N 1 2 248.351 3.625 20 0 BHADLO Cc1cc(N[C@H](C)c2cccs2)c[nH+]c1C ZINC000883341716 591620192 /nfs/dbraw/zinc/62/01/92/591620192.db2.gz YDUIPHGDCVLYRT-LLVKDONJSA-N 1 2 232.352 3.933 20 0 BHADLO Cc1cc(N[C@@H](C)c2cccs2)c[nH+]c1C ZINC000883341717 591620730 /nfs/dbraw/zinc/62/07/30/591620730.db2.gz YDUIPHGDCVLYRT-NSHDSACASA-N 1 2 232.352 3.933 20 0 BHADLO Cc1cc(NCc2ccc(Cl)o2)c[nH+]c1C ZINC000883341851 591620244 /nfs/dbraw/zinc/62/02/44/591620244.db2.gz BHRWZCLFMHQESQ-UHFFFAOYSA-N 1 2 236.702 3.557 20 0 BHADLO Cc1nc([C@H](C)Nc2c[nH+]c(C)c(C)c2)cs1 ZINC000883341959 591617447 /nfs/dbraw/zinc/61/74/47/591617447.db2.gz FTYVWBUQLNYMEE-JTQLQIEISA-N 1 2 247.367 3.636 20 0 BHADLO Cc1nc([C@@H](C)Nc2c[nH+]c(C)c(C)c2)cs1 ZINC000883341960 591617775 /nfs/dbraw/zinc/61/77/75/591617775.db2.gz FTYVWBUQLNYMEE-SNVBAGLBSA-N 1 2 247.367 3.636 20 0 BHADLO Cc1cc(N[C@H](C)c2cccc(O)c2)c[nH+]c1C ZINC000883342180 591621417 /nfs/dbraw/zinc/62/14/17/591621417.db2.gz NJOFOBWWPZPSNM-GFCCVEGCSA-N 1 2 242.322 3.577 20 0 BHADLO Cc1cc(N[C@@H](C)c2cccc(O)c2)c[nH+]c1C ZINC000883342181 591621908 /nfs/dbraw/zinc/62/19/08/591621908.db2.gz NJOFOBWWPZPSNM-LBPRGKRZSA-N 1 2 242.322 3.577 20 0 BHADLO Cc1ccncc1[C@@H](C)Nc1c[nH+]c(C)c(C)c1 ZINC000883342240 591621667 /nfs/dbraw/zinc/62/16/67/591621667.db2.gz PMJHPKMAPQOUIC-CYBMUJFWSA-N 1 2 241.338 3.575 20 0 BHADLO Cc1ccncc1[C@H](C)Nc1c[nH+]c(C)c(C)c1 ZINC000883342241 591621381 /nfs/dbraw/zinc/62/13/81/591621381.db2.gz PMJHPKMAPQOUIC-ZDUSSCGKSA-N 1 2 241.338 3.575 20 0 BHADLO Cc1ncc([C@H](C)Nc2c[nH+]c(C)c(C)c2)s1 ZINC000883342291 591621673 /nfs/dbraw/zinc/62/16/73/591621673.db2.gz RKLZTHCUCHJJOT-JTQLQIEISA-N 1 2 247.367 3.636 20 0 BHADLO Cc1ncc([C@@H](C)Nc2c[nH+]c(C)c(C)c2)s1 ZINC000883342292 591622208 /nfs/dbraw/zinc/62/22/08/591622208.db2.gz RKLZTHCUCHJJOT-SNVBAGLBSA-N 1 2 247.367 3.636 20 0 BHADLO CC[C@H](Nc1c[nH+]c(C)c(C)c1)c1ccncc1 ZINC000883342503 591622124 /nfs/dbraw/zinc/62/21/24/591622124.db2.gz ARONWQLZDYWSRQ-HNNXBMFYSA-N 1 2 241.338 3.657 20 0 BHADLO CC[C@@H](Nc1c[nH+]c(C)c(C)c1)c1ccncc1 ZINC000883342504 591622296 /nfs/dbraw/zinc/62/22/96/591622296.db2.gz ARONWQLZDYWSRQ-OAHLLOKOSA-N 1 2 241.338 3.657 20 0 BHADLO Cc1csc([C@@H](C)Nc2c[nH+]c(C)c(C)c2)n1 ZINC000883342672 591622044 /nfs/dbraw/zinc/62/20/44/591622044.db2.gz HSVBWSNCBSAMAJ-LLVKDONJSA-N 1 2 247.367 3.636 20 0 BHADLO Cc1csc([C@H](C)Nc2c[nH+]c(C)c(C)c2)n1 ZINC000883342673 591621914 /nfs/dbraw/zinc/62/19/14/591621914.db2.gz HSVBWSNCBSAMAJ-NSHDSACASA-N 1 2 247.367 3.636 20 0 BHADLO Cc1cncc([C@@H](C)Nc2c[nH+]c(C)c(C)c2)c1 ZINC000883342688 591621243 /nfs/dbraw/zinc/62/12/43/591621243.db2.gz IGYUTAPSZAHXPI-CYBMUJFWSA-N 1 2 241.338 3.575 20 0 BHADLO Cc1cncc([C@H](C)Nc2c[nH+]c(C)c(C)c2)c1 ZINC000883342689 591622162 /nfs/dbraw/zinc/62/21/62/591622162.db2.gz IGYUTAPSZAHXPI-ZDUSSCGKSA-N 1 2 241.338 3.575 20 0 BHADLO Cc1cc(N[C@@H](C)C(C)(C)C(F)F)c[nH+]c1C ZINC000883342869 591622992 /nfs/dbraw/zinc/62/29/92/591622992.db2.gz OWNRWAQZXRCAAD-JTQLQIEISA-N 1 2 242.313 3.790 20 0 BHADLO Cc1cc(N[C@H](C)C(C)(C)C(F)F)c[nH+]c1C ZINC000883342870 591623885 /nfs/dbraw/zinc/62/38/85/591623885.db2.gz OWNRWAQZXRCAAD-SNVBAGLBSA-N 1 2 242.313 3.790 20 0 BHADLO Cc1cc(NC2CCC(F)(F)CC2)c[nH+]c1C ZINC000883342871 591623823 /nfs/dbraw/zinc/62/38/23/591623823.db2.gz OXKULQDKYKBKIL-UHFFFAOYSA-N 1 2 240.297 3.688 20 0 BHADLO Cc1cc(N[C@H](C)CCC(F)(F)F)c[nH+]c1C ZINC000883343012 591623056 /nfs/dbraw/zinc/62/30/56/591623056.db2.gz WMFFFJPSPZIDPB-SECBINFHSA-N 1 2 246.276 3.841 20 0 BHADLO Cc1cc(N[C@@H](C)CCC(F)(F)F)c[nH+]c1C ZINC000883343013 591623407 /nfs/dbraw/zinc/62/34/07/591623407.db2.gz WMFFFJPSPZIDPB-VIFPVBQESA-N 1 2 246.276 3.841 20 0 BHADLO CCSCc1ccc[nH+]c1NCc1ccoc1 ZINC000883378318 591637546 /nfs/dbraw/zinc/63/75/46/591637546.db2.gz HLWGHZBVIIFVKC-UHFFFAOYSA-N 1 2 248.351 3.540 20 0 BHADLO CCSCc1ccc[nH+]c1NCc1ccco1 ZINC000883378565 591638143 /nfs/dbraw/zinc/63/81/43/591638143.db2.gz QUTIKLUYEBATGT-UHFFFAOYSA-N 1 2 248.351 3.540 20 0 BHADLO Cc1coc(C[NH2+]C2(c3ccccc3F)CC2)c1 ZINC000885992547 592123980 /nfs/dbraw/zinc/12/39/80/592123980.db2.gz KGDITPCHYUXHLZ-UHFFFAOYSA-N 1 2 245.297 3.506 20 0 BHADLO Cc1coc(CNc2ccc([NH+](C)C)c(C)c2)c1 ZINC000886030053 592136111 /nfs/dbraw/zinc/13/61/11/592136111.db2.gz FSXLIHGVKFSOGZ-UHFFFAOYSA-N 1 2 244.338 3.575 20 0 BHADLO CC(C)c1cccc(C[NH2+][C@H](C)c2ncco2)c1 ZINC000886272108 592193036 /nfs/dbraw/zinc/19/30/36/592193036.db2.gz HESJYGOOKPNAAV-GFCCVEGCSA-N 1 2 244.338 3.649 20 0 BHADLO CC(C)c1cccc(C[NH2+][C@@H](C)c2ncco2)c1 ZINC000886272109 592192967 /nfs/dbraw/zinc/19/29/67/592192967.db2.gz HESJYGOOKPNAAV-LBPRGKRZSA-N 1 2 244.338 3.649 20 0 BHADLO CC(C)c1ccc(C[NH2+][C@H](C)c2ncco2)cc1 ZINC000886275566 592195562 /nfs/dbraw/zinc/19/55/62/592195562.db2.gz DXGGGJUKKSMZIN-GFCCVEGCSA-N 1 2 244.338 3.649 20 0 BHADLO CC(C)c1ccc(C[NH2+][C@@H](C)c2ncco2)cc1 ZINC000886275567 592195396 /nfs/dbraw/zinc/19/53/96/592195396.db2.gz DXGGGJUKKSMZIN-LBPRGKRZSA-N 1 2 244.338 3.649 20 0 BHADLO CC[C@@H]1CCCC[C@@H]1Nc1cccc([C@@H](C)O)[nH+]1 ZINC000891792827 582721734 /nfs/dbraw/zinc/72/17/34/582721734.db2.gz FWXPUZMXWBOANR-BZPMIXESSA-N 1 2 248.370 3.516 20 0 BHADLO CC[C@@H]1CCCC[C@H]1Nc1cccc([C@H](C)O)[nH+]1 ZINC000891792828 582722439 /nfs/dbraw/zinc/72/24/39/582722439.db2.gz FWXPUZMXWBOANR-OUCADQQQSA-N 1 2 248.370 3.516 20 0 BHADLO CC[C@@H]1CCCC[C@@H]1Nc1cccc([C@H](C)O)[nH+]1 ZINC000891792829 582721813 /nfs/dbraw/zinc/72/18/13/582721813.db2.gz FWXPUZMXWBOANR-SCRDCRAPSA-N 1 2 248.370 3.516 20 0 BHADLO CC[C@@H]1CCCC[C@H]1Nc1cccc([C@@H](C)O)[nH+]1 ZINC000891792830 582722298 /nfs/dbraw/zinc/72/22/98/582722298.db2.gz FWXPUZMXWBOANR-YRGRVCCFSA-N 1 2 248.370 3.516 20 0 BHADLO CCCCC[C@@H](C)Nc1cccc([C@H](C)O)[nH+]1 ZINC000891993671 582756261 /nfs/dbraw/zinc/75/62/61/582756261.db2.gz WFACSFAHHYNBAT-NEPJUHHUSA-N 1 2 236.359 3.516 20 0 BHADLO CCCCC[C@H](C)Nc1cccc([C@@H](C)O)[nH+]1 ZINC000891993672 582755969 /nfs/dbraw/zinc/75/59/69/582755969.db2.gz WFACSFAHHYNBAT-NWDGAFQWSA-N 1 2 236.359 3.516 20 0 BHADLO CCCCC[C@H](C)Nc1cccc([C@H](C)O)[nH+]1 ZINC000891993673 582756281 /nfs/dbraw/zinc/75/62/81/582756281.db2.gz WFACSFAHHYNBAT-RYUDHWBXSA-N 1 2 236.359 3.516 20 0 BHADLO CCCCC[C@@H](C)Nc1cccc([C@@H](C)O)[nH+]1 ZINC000891993674 582755944 /nfs/dbraw/zinc/75/59/44/582755944.db2.gz WFACSFAHHYNBAT-VXGBXAGGSA-N 1 2 236.359 3.516 20 0 BHADLO CC[C@@H]1CCC[C@@H](Nc2cccc([C@@H](C)O)[nH+]2)C1 ZINC000892648936 582938439 /nfs/dbraw/zinc/93/84/39/582938439.db2.gz HMKFKEFOVSNJHY-JHJVBQTASA-N 1 2 248.370 3.516 20 0 BHADLO CC[C@@H]1CCC[C@H](Nc2cccc([C@@H](C)O)[nH+]2)C1 ZINC000892648937 582938867 /nfs/dbraw/zinc/93/88/67/582938867.db2.gz HMKFKEFOVSNJHY-UPJWGTAASA-N 1 2 248.370 3.516 20 0 BHADLO CC[C@@H]1CCC[C@H](Nc2cccc([C@H](C)O)[nH+]2)C1 ZINC000892648938 582938843 /nfs/dbraw/zinc/93/88/43/582938843.db2.gz HMKFKEFOVSNJHY-XQQFMLRXSA-N 1 2 248.370 3.516 20 0 BHADLO CC[C@@H]1CCC[C@@H](Nc2cccc([C@H](C)O)[nH+]2)C1 ZINC000892648939 582938562 /nfs/dbraw/zinc/93/85/62/582938562.db2.gz HMKFKEFOVSNJHY-YNEHKIRRSA-N 1 2 248.370 3.516 20 0 BHADLO C[C@@H](Nc1cccc([C@H](C)O)[nH+]1)C1CCCCC1 ZINC000892667972 582946307 /nfs/dbraw/zinc/94/63/07/582946307.db2.gz FTHXACMCUUSHIL-NEPJUHHUSA-N 1 2 248.370 3.516 20 0 BHADLO C[C@@H](O)c1cccc(N[C@@H](C)C2CCCCC2)[nH+]1 ZINC000892667973 582946254 /nfs/dbraw/zinc/94/62/54/582946254.db2.gz FTHXACMCUUSHIL-NWDGAFQWSA-N 1 2 248.370 3.516 20 0 BHADLO C[C@H](O)c1cccc(N[C@@H](C)C2CCCCC2)[nH+]1 ZINC000892667974 582946179 /nfs/dbraw/zinc/94/61/79/582946179.db2.gz FTHXACMCUUSHIL-RYUDHWBXSA-N 1 2 248.370 3.516 20 0 BHADLO C[C@@H](O)c1cccc(N[C@H](C)C2CCCCC2)[nH+]1 ZINC000892667975 582946147 /nfs/dbraw/zinc/94/61/47/582946147.db2.gz FTHXACMCUUSHIL-VXGBXAGGSA-N 1 2 248.370 3.516 20 0 BHADLO CCCC1(CNc2cccc([C@@H](C)O)[nH+]2)CCC1 ZINC000892899815 583006644 /nfs/dbraw/zinc/00/66/44/583006644.db2.gz IDBATOAVLUOFRR-GFCCVEGCSA-N 1 2 248.370 3.517 20 0 BHADLO CCCC1(CNc2cccc([C@H](C)O)[nH+]2)CCC1 ZINC000892899817 583006709 /nfs/dbraw/zinc/00/67/09/583006709.db2.gz IDBATOAVLUOFRR-LBPRGKRZSA-N 1 2 248.370 3.517 20 0 BHADLO CC[C@H]1CC[C@H](Nc2cccc([C@H](C)O)[nH+]2)CC1 ZINC000893971147 583263818 /nfs/dbraw/zinc/26/38/18/583263818.db2.gz QMWCCCQHBOGIAG-AVGNSLFASA-N 1 2 248.370 3.516 20 0 BHADLO CC[C@H]1CC[C@H](Nc2cccc([C@@H](C)O)[nH+]2)CC1 ZINC000893971148 583263873 /nfs/dbraw/zinc/26/38/73/583263873.db2.gz QMWCCCQHBOGIAG-JHJVBQTASA-N 1 2 248.370 3.516 20 0 BHADLO CSc1ccc(C[NH+]2Cc3ccccc3C2)o1 ZINC000894005058 583272240 /nfs/dbraw/zinc/27/22/40/583272240.db2.gz AGGKWUPWEBACEG-UHFFFAOYSA-N 1 2 245.347 3.517 20 0 BHADLO CC[C@H](Nc1cccc([C@H](C)O)[nH+]1)C1CCCC1 ZINC000894107844 583307090 /nfs/dbraw/zinc/30/70/90/583307090.db2.gz UIDRZTYPWJSCFT-AAEUAGOBSA-N 1 2 248.370 3.516 20 0 BHADLO CC[C@@H](Nc1cccc([C@@H](C)O)[nH+]1)C1CCCC1 ZINC000894107845 583307517 /nfs/dbraw/zinc/30/75/17/583307517.db2.gz UIDRZTYPWJSCFT-DGCLKSJQSA-N 1 2 248.370 3.516 20 0 BHADLO CC[C@@H](Nc1cccc([C@H](C)O)[nH+]1)C1CCCC1 ZINC000894107846 583307312 /nfs/dbraw/zinc/30/73/12/583307312.db2.gz UIDRZTYPWJSCFT-WCQYABFASA-N 1 2 248.370 3.516 20 0 BHADLO CC[C@H](Nc1cccc([C@@H](C)O)[nH+]1)C1CCCC1 ZINC000894107847 583307289 /nfs/dbraw/zinc/30/72/89/583307289.db2.gz UIDRZTYPWJSCFT-YPMHNXCESA-N 1 2 248.370 3.516 20 0 BHADLO CC(C)CCc1ccc(NCc2c[nH]c[nH+]2)cc1 ZINC000894122793 583312080 /nfs/dbraw/zinc/31/20/80/583312080.db2.gz YQXNSBUOXCWEDP-UHFFFAOYSA-N 1 2 243.354 3.610 20 0 BHADLO CC(C)CCc1ccc(NCc2c[nH+]c[nH]2)cc1 ZINC000894122793 583312078 /nfs/dbraw/zinc/31/20/78/583312078.db2.gz YQXNSBUOXCWEDP-UHFFFAOYSA-N 1 2 243.354 3.610 20 0 BHADLO CCC(C)(C)c1ccc(NCc2c[nH]c[nH+]2)cc1 ZINC000894595633 583493287 /nfs/dbraw/zinc/49/32/87/583493287.db2.gz JAYATXAPAQOASZ-UHFFFAOYSA-N 1 2 243.354 3.709 20 0 BHADLO CCC(C)(C)c1ccc(NCc2c[nH+]c[nH]2)cc1 ZINC000894595633 583493285 /nfs/dbraw/zinc/49/32/85/583493285.db2.gz JAYATXAPAQOASZ-UHFFFAOYSA-N 1 2 243.354 3.709 20 0 BHADLO CC[C@@H](C)c1cccc(NCc2c[nH]c[nH+]2)c1 ZINC000895388192 583663545 /nfs/dbraw/zinc/66/35/45/583663545.db2.gz HVJBALGOEHUHFY-LLVKDONJSA-N 1 2 229.327 3.535 20 0 BHADLO CC[C@@H](C)c1cccc(NCc2c[nH+]c[nH]2)c1 ZINC000895388192 583663544 /nfs/dbraw/zinc/66/35/44/583663544.db2.gz HVJBALGOEHUHFY-LLVKDONJSA-N 1 2 229.327 3.535 20 0 BHADLO CC[C@H](C)c1cccc(NCc2c[nH]c[nH+]2)c1 ZINC000895388204 583663541 /nfs/dbraw/zinc/66/35/41/583663541.db2.gz HVJBALGOEHUHFY-NSHDSACASA-N 1 2 229.327 3.535 20 0 BHADLO CC[C@H](C)c1cccc(NCc2c[nH+]c[nH]2)c1 ZINC000895388204 583663540 /nfs/dbraw/zinc/66/35/40/583663540.db2.gz HVJBALGOEHUHFY-NSHDSACASA-N 1 2 229.327 3.535 20 0 BHADLO CC(C)c1cc(Cl)ccc1NCc1c[nH]c[nH+]1 ZINC000895394396 583664788 /nfs/dbraw/zinc/66/47/88/583664788.db2.gz ZVKODZKLBJKOOP-UHFFFAOYSA-N 1 2 249.745 3.799 20 0 BHADLO CC(C)c1cc(Cl)ccc1NCc1c[nH+]c[nH]1 ZINC000895394396 583664786 /nfs/dbraw/zinc/66/47/86/583664786.db2.gz ZVKODZKLBJKOOP-UHFFFAOYSA-N 1 2 249.745 3.799 20 0 BHADLO Cc1cc(N[C@@H](C)C2CC(F)(F)C2)c[nH+]c1C ZINC000895644446 636170915 /nfs/dbraw/zinc/17/09/15/636170915.db2.gz AKHWSWZJEAOZKD-JTQLQIEISA-N 1 2 240.297 3.544 20 0 BHADLO Cc1cc(N[C@H](C)C2CC(F)(F)C2)c[nH+]c1C ZINC000895644447 636171455 /nfs/dbraw/zinc/17/14/55/636171455.db2.gz AKHWSWZJEAOZKD-SNVBAGLBSA-N 1 2 240.297 3.544 20 0 BHADLO COc1ccc([C@@H](C)Nc2cccc[nH+]2)cc1C ZINC000896778300 583832684 /nfs/dbraw/zinc/83/26/84/583832684.db2.gz WVRIJIYVTQYIFV-GFCCVEGCSA-N 1 2 242.322 3.572 20 0 BHADLO CC[C@H]1c2ccccc2CN1c1cccc[nH+]1 ZINC000897354949 583930765 /nfs/dbraw/zinc/93/07/65/583930765.db2.gz XPUKQVGPKPLSAW-AWEZNQCLSA-N 1 2 224.307 3.553 20 0 BHADLO CC[C@@H]1c2ccccc2CN1c1cccc[nH+]1 ZINC000897354950 583930795 /nfs/dbraw/zinc/93/07/95/583930795.db2.gz XPUKQVGPKPLSAW-CQSZACIVSA-N 1 2 224.307 3.553 20 0 BHADLO CC(C)c1c[nH+]cc(N[C@@H]2CCOC(C)(C)C2)c1 ZINC000897705513 584042612 /nfs/dbraw/zinc/04/26/12/584042612.db2.gz CVQCZUNKIRVFHQ-CYBMUJFWSA-N 1 2 248.370 3.575 20 0 BHADLO CC(C)c1c[nH+]cc(N[C@H]2CCOC(C)(C)C2)c1 ZINC000897705516 584042947 /nfs/dbraw/zinc/04/29/47/584042947.db2.gz CVQCZUNKIRVFHQ-ZDUSSCGKSA-N 1 2 248.370 3.575 20 0 BHADLO CC(C)c1c[nH+]cc(NCc2cccc(O)c2)c1 ZINC000897706897 584041800 /nfs/dbraw/zinc/04/18/00/584041800.db2.gz DDROADVNFGWTLW-UHFFFAOYSA-N 1 2 242.322 3.523 20 0 BHADLO CS[C@@H]1CC[C@H]1Nc1c[nH+]cc(C(C)C)c1 ZINC000897707033 584041689 /nfs/dbraw/zinc/04/16/89/584041689.db2.gz FYXRENDMHPDSIH-CHWSQXEVSA-N 1 2 236.384 3.511 20 0 BHADLO CS[C@H]1CC[C@H]1Nc1c[nH+]cc(C(C)C)c1 ZINC000897707034 584041757 /nfs/dbraw/zinc/04/17/57/584041757.db2.gz FYXRENDMHPDSIH-OLZOCXBDSA-N 1 2 236.384 3.511 20 0 BHADLO CS[C@@H]1CC[C@@H]1Nc1c[nH+]cc(C(C)C)c1 ZINC000897707035 584041598 /nfs/dbraw/zinc/04/15/98/584041598.db2.gz FYXRENDMHPDSIH-QWHCGFSZSA-N 1 2 236.384 3.511 20 0 BHADLO CS[C@H]1CC[C@@H]1Nc1c[nH+]cc(C(C)C)c1 ZINC000897707036 584041350 /nfs/dbraw/zinc/04/13/50/584041350.db2.gz FYXRENDMHPDSIH-STQMWFEESA-N 1 2 236.384 3.511 20 0 BHADLO COC1CCC(Nc2c[nH+]cc(C(C)C)c2)CC1 ZINC000897707050 584041473 /nfs/dbraw/zinc/04/14/73/584041473.db2.gz GONSGTFBXCLFKO-UHFFFAOYSA-N 1 2 248.370 3.575 20 0 BHADLO CC(C)c1c[nH+]cc(N[C@@H]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000897707080 584041766 /nfs/dbraw/zinc/04/17/66/584041766.db2.gz HGLJZPZUWHBCOV-DABQJJPHSA-N 1 2 248.370 3.573 20 0 BHADLO CC(C)c1c[nH+]cc(N[C@H]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000897707081 584041535 /nfs/dbraw/zinc/04/15/35/584041535.db2.gz HGLJZPZUWHBCOV-IMRBUKKESA-N 1 2 248.370 3.573 20 0 BHADLO CC[C@@H]1C[C@@H](Nc2c[nH+]cc(C(C)C)c2)CCO1 ZINC000897707296 584041419 /nfs/dbraw/zinc/04/14/19/584041419.db2.gz KZPLOKAHBVLYHK-DZGCQCFKSA-N 1 2 248.370 3.575 20 0 BHADLO CC[C@H]1C[C@H](Nc2c[nH+]cc(C(C)C)c2)CCO1 ZINC000897707297 584041595 /nfs/dbraw/zinc/04/15/95/584041595.db2.gz KZPLOKAHBVLYHK-HIFRSBDPSA-N 1 2 248.370 3.575 20 0 BHADLO CC[C@@H]1C[C@H](Nc2c[nH+]cc(C(C)C)c2)CCO1 ZINC000897707298 584041655 /nfs/dbraw/zinc/04/16/55/584041655.db2.gz KZPLOKAHBVLYHK-UKRRQHHQSA-N 1 2 248.370 3.575 20 0 BHADLO CC[C@H]1C[C@@H](Nc2c[nH+]cc(C(C)C)c2)CCO1 ZINC000897707299 584041559 /nfs/dbraw/zinc/04/15/59/584041559.db2.gz KZPLOKAHBVLYHK-ZFWWWQNUSA-N 1 2 248.370 3.575 20 0 BHADLO CC(C)c1c[nH+]cc(N[C@H](C)[C@H]2CC2(F)F)c1 ZINC000897707385 584041844 /nfs/dbraw/zinc/04/18/44/584041844.db2.gz MSIFNXQNKZREQN-BXKDBHETSA-N 1 2 240.297 3.661 20 0 BHADLO CC(C)c1c[nH+]cc(N[C@@H](C)[C@@H]2CC2(F)F)c1 ZINC000897707386 584041722 /nfs/dbraw/zinc/04/17/22/584041722.db2.gz MSIFNXQNKZREQN-CABZTGNLSA-N 1 2 240.297 3.661 20 0 BHADLO CC(C)c1c[nH+]cc(N[C@@H](C)[C@H]2CC2(F)F)c1 ZINC000897707387 584041477 /nfs/dbraw/zinc/04/14/77/584041477.db2.gz MSIFNXQNKZREQN-JOYOIKCWSA-N 1 2 240.297 3.661 20 0 BHADLO CC(C)c1c[nH+]cc(N[C@H](C)[C@@H]2CC2(F)F)c1 ZINC000897707388 584041861 /nfs/dbraw/zinc/04/18/61/584041861.db2.gz MSIFNXQNKZREQN-SKDRFNHKSA-N 1 2 240.297 3.661 20 0 BHADLO CC(C)c1c[nH+]cc(NC2CC(C(F)F)C2)c1 ZINC000897707391 584041725 /nfs/dbraw/zinc/04/17/25/584041725.db2.gz MUFSEYQAKUBOEB-UHFFFAOYSA-N 1 2 240.297 3.661 20 0 BHADLO CC(C)c1c[nH+]cc(NC2CCSCC2)c1 ZINC000897707661 584042512 /nfs/dbraw/zinc/04/25/12/584042512.db2.gz WUCSOBZNJIZCEG-UHFFFAOYSA-N 1 2 236.384 3.513 20 0 BHADLO CC(C)[C@H]([NH2+]CCCC(C)(F)F)C(F)(F)F ZINC000901413642 584441689 /nfs/dbraw/zinc/44/16/89/584441689.db2.gz YKPTXWIYIJLXIL-QMMMGPOBSA-N 1 2 247.251 3.598 20 0 BHADLO CC(C)(C)c1cn(Cc2ccccc2CF)c[nH+]1 ZINC000901589160 637265324 /nfs/dbraw/zinc/26/53/24/637265324.db2.gz ZQPYPXFWYAIUQI-UHFFFAOYSA-N 1 2 246.329 3.698 20 0 BHADLO Cc1ccc(CSCc2ccncc2)c(C)[nH+]1 ZINC000901631259 584471259 /nfs/dbraw/zinc/47/12/59/584471259.db2.gz VBTQKLJLNJLVCL-UHFFFAOYSA-N 1 2 244.363 3.527 20 0 BHADLO CCn1c[nH+]c(CNc2ccc(C(C)C)cc2)c1 ZINC000902080253 584520845 /nfs/dbraw/zinc/52/08/45/584520845.db2.gz YLLZFICSAHNVAS-UHFFFAOYSA-N 1 2 243.354 3.639 20 0 BHADLO CCn1c[nH+]c(CNc2cccc(C(C)C)c2)c1 ZINC000902083499 584521219 /nfs/dbraw/zinc/52/12/19/584521219.db2.gz SEEXAOPJPFDWAF-UHFFFAOYSA-N 1 2 243.354 3.639 20 0 BHADLO CCn1c[nH+]c(CNc2ccccc2C(C)C)c1 ZINC000902346243 584558575 /nfs/dbraw/zinc/55/85/75/584558575.db2.gz NRFPLIRTZJLZED-UHFFFAOYSA-N 1 2 243.354 3.639 20 0 BHADLO FC1(F)CC(COc2ccc3c[nH+]ccc3c2)C1 ZINC000902636269 584648332 /nfs/dbraw/zinc/64/83/32/584648332.db2.gz AGVVYYJFYNZIFJ-UHFFFAOYSA-N 1 2 249.260 3.659 20 0 BHADLO CC(C)SCCOc1ccc2c[nH+]ccc2c1 ZINC000902637041 584648575 /nfs/dbraw/zinc/64/85/75/584648575.db2.gz GQWOWMHCUUTJPO-UHFFFAOYSA-N 1 2 247.363 3.755 20 0 BHADLO FC(F)c1cccc(C[N@H+]2CCC[C@@H](F)C2)c1 ZINC000902996222 584713967 /nfs/dbraw/zinc/71/39/67/584713967.db2.gz RDCXBQIJZXKKBV-GFCCVEGCSA-N 1 2 243.272 3.558 20 0 BHADLO FC(F)c1cccc(C[N@@H+]2CCC[C@@H](F)C2)c1 ZINC000902996222 584713964 /nfs/dbraw/zinc/71/39/64/584713964.db2.gz RDCXBQIJZXKKBV-GFCCVEGCSA-N 1 2 243.272 3.558 20 0 BHADLO FC(F)c1cccc(C[N@H+]2CCC[C@H](F)C2)c1 ZINC000902996226 584713869 /nfs/dbraw/zinc/71/38/69/584713869.db2.gz RDCXBQIJZXKKBV-LBPRGKRZSA-N 1 2 243.272 3.558 20 0 BHADLO FC(F)c1cccc(C[N@@H+]2CCC[C@H](F)C2)c1 ZINC000902996226 584713868 /nfs/dbraw/zinc/71/38/68/584713868.db2.gz RDCXBQIJZXKKBV-LBPRGKRZSA-N 1 2 243.272 3.558 20 0 BHADLO c1cc2c(cccc2-c2c[nH+]c3n2CCCC3)o1 ZINC000904866023 637513676 /nfs/dbraw/zinc/51/36/76/637513676.db2.gz CMTBIHIKCATRAA-UHFFFAOYSA-N 1 2 238.290 3.633 20 0 BHADLO Clc1cscc1-c1c[nH+]c2n1CCCC2 ZINC000904899676 637526543 /nfs/dbraw/zinc/52/65/43/637526543.db2.gz TVHWLMHNZJCBRN-UHFFFAOYSA-N 1 2 238.743 3.601 20 0 BHADLO Cc1[nH]cc(-c2ccc(C(F)(F)F)cc2C)[nH+]1 ZINC000904908438 637522763 /nfs/dbraw/zinc/52/27/63/637522763.db2.gz CCOKFIBQBOGAOP-UHFFFAOYSA-N 1 2 240.228 3.712 20 0 BHADLO C[C@H](c1cc(F)ccc1F)[N@@H+](C)C/C=C\Cl ZINC000917064138 641998776 /nfs/dbraw/zinc/99/87/76/641998776.db2.gz JOHFTCQFUIEBIR-JVBZPZKUSA-N 1 2 245.700 3.710 20 0 BHADLO C[C@H](c1cc(F)ccc1F)[N@H+](C)C/C=C\Cl ZINC000917064138 641998763 /nfs/dbraw/zinc/99/87/63/641998763.db2.gz JOHFTCQFUIEBIR-JVBZPZKUSA-N 1 2 245.700 3.710 20 0 BHADLO C[C@@H](c1cc(F)ccc1F)[N@@H+](C)C/C=C\Cl ZINC000917064139 641999943 /nfs/dbraw/zinc/99/99/43/641999943.db2.gz JOHFTCQFUIEBIR-RWIWAZIYSA-N 1 2 245.700 3.710 20 0 BHADLO C[C@@H](c1cc(F)ccc1F)[N@H+](C)C/C=C\Cl ZINC000917064139 641999940 /nfs/dbraw/zinc/99/99/40/641999940.db2.gz JOHFTCQFUIEBIR-RWIWAZIYSA-N 1 2 245.700 3.710 20 0 BHADLO c1ccc(N2CCC(C3CCCCC3)CC2)[nH+]c1 ZINC000917082759 642004893 /nfs/dbraw/zinc/00/48/93/642004893.db2.gz RZDQIJJSRGWNPQ-UHFFFAOYSA-N 1 2 244.382 3.878 20 0 BHADLO CC(C)(C)c1cn(CCCC(C)(F)F)c[nH+]1 ZINC000918473526 642202428 /nfs/dbraw/zinc/20/24/28/642202428.db2.gz BZDUTMUQMKOXQT-UHFFFAOYSA-N 1 2 230.302 3.616 20 0 BHADLO Cc1ccnc(SCc2ccc(C)[nH+]c2C)c1 ZINC000918810511 642270822 /nfs/dbraw/zinc/27/08/22/642270822.db2.gz YNSJPBBEKXZOOK-UHFFFAOYSA-N 1 2 244.363 3.694 20 0 BHADLO FCCCCCn1c[nH+]c(Cc2ccccc2)c1 ZINC000919150836 642304611 /nfs/dbraw/zinc/30/46/11/642304611.db2.gz NCTMNJMLHQYNMO-UHFFFAOYSA-N 1 2 246.329 3.614 20 0 BHADLO CC(C)SCn1c[nH+]c(Cc2ccccc2)c1 ZINC000919157527 642302193 /nfs/dbraw/zinc/30/21/93/642302193.db2.gz WCMFXFOJFLXBKA-UHFFFAOYSA-N 1 2 246.379 3.573 20 0 BHADLO CCC/C(C)=C/C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000920219101 642456822 /nfs/dbraw/zinc/45/68/22/642456822.db2.gz GXGRJEZYYACLAA-CSKARUKUSA-N 1 2 246.354 3.692 20 0 BHADLO CCC/C(C)=C\C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000920219104 642457238 /nfs/dbraw/zinc/45/72/38/642457238.db2.gz GXGRJEZYYACLAA-NTMALXAHSA-N 1 2 246.354 3.692 20 0 BHADLO CCc1ccc([C@@H](C)[NH2+][C@@H](C)c2ncco2)cc1 ZINC000924541406 646061826 /nfs/dbraw/zinc/06/18/26/646061826.db2.gz MPIUHVFLNXRJNX-NEPJUHHUSA-N 1 2 244.338 3.649 20 0 BHADLO CCc1ccc([C@H](C)[NH2+][C@H](C)c2ncco2)cc1 ZINC000924541693 646061651 /nfs/dbraw/zinc/06/16/51/646061651.db2.gz MPIUHVFLNXRJNX-NWDGAFQWSA-N 1 2 244.338 3.649 20 0 BHADLO CCc1ccc([C@H](C)[NH2+][C@@H](C)c2ncco2)cc1 ZINC000924541694 646061058 /nfs/dbraw/zinc/06/10/58/646061058.db2.gz MPIUHVFLNXRJNX-RYUDHWBXSA-N 1 2 244.338 3.649 20 0 BHADLO CCc1ccc([C@@H](C)[NH2+][C@H](C)c2ncco2)cc1 ZINC000924541695 646062396 /nfs/dbraw/zinc/06/23/96/646062396.db2.gz MPIUHVFLNXRJNX-VXGBXAGGSA-N 1 2 244.338 3.649 20 0 BHADLO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ncco2)cc1C ZINC000924858692 640491491 /nfs/dbraw/zinc/49/14/91/640491491.db2.gz MCHZXZURELGUGA-CHWSQXEVSA-N 1 2 244.338 3.703 20 0 BHADLO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ncco2)cc1C ZINC000924858693 640492197 /nfs/dbraw/zinc/49/21/97/640492197.db2.gz MCHZXZURELGUGA-OLZOCXBDSA-N 1 2 244.338 3.703 20 0 BHADLO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ncco2)cc1C ZINC000924858694 640492179 /nfs/dbraw/zinc/49/21/79/640492179.db2.gz MCHZXZURELGUGA-QWHCGFSZSA-N 1 2 244.338 3.703 20 0 BHADLO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ncco2)cc1C ZINC000924858696 640491256 /nfs/dbraw/zinc/49/12/56/640491256.db2.gz MCHZXZURELGUGA-STQMWFEESA-N 1 2 244.338 3.703 20 0 BHADLO Cc1cc(C)cc([C@@H](C)[NH2+][C@H](C)c2ncco2)c1 ZINC000924997363 711768055 /nfs/dbraw/zinc/76/80/55/711768055.db2.gz CLEGWLACDARYAQ-CHWSQXEVSA-N 1 2 244.338 3.703 20 0 BHADLO Cc1cc(C)cc([C@@H](C)[NH2+][C@@H](C)c2ncco2)c1 ZINC000924997365 711768010 /nfs/dbraw/zinc/76/80/10/711768010.db2.gz CLEGWLACDARYAQ-OLZOCXBDSA-N 1 2 244.338 3.703 20 0 BHADLO Cc1cc(C)cc([C@H](C)[NH2+][C@H](C)c2ncco2)c1 ZINC000924997367 711767993 /nfs/dbraw/zinc/76/79/93/711767993.db2.gz CLEGWLACDARYAQ-QWHCGFSZSA-N 1 2 244.338 3.703 20 0 BHADLO Cc1cc(C)cc([C@H](C)[NH2+][C@@H](C)c2ncco2)c1 ZINC000924997370 711768108 /nfs/dbraw/zinc/76/81/08/711768108.db2.gz CLEGWLACDARYAQ-STQMWFEESA-N 1 2 244.338 3.703 20 0 BHADLO Cc1cccc([C@@H](C)[NH2+][C@H](C)c2ncco2)c1C ZINC000925081127 635929367 /nfs/dbraw/zinc/92/93/67/635929367.db2.gz PYWSLIJKZAAACE-CHWSQXEVSA-N 1 2 244.338 3.703 20 0 BHADLO Cc1cccc([C@@H](C)[NH2+][C@@H](C)c2ncco2)c1C ZINC000925081130 635928850 /nfs/dbraw/zinc/92/88/50/635928850.db2.gz PYWSLIJKZAAACE-OLZOCXBDSA-N 1 2 244.338 3.703 20 0 BHADLO Cc1cccc([C@H](C)[NH2+][C@H](C)c2ncco2)c1C ZINC000925081132 635930631 /nfs/dbraw/zinc/93/06/31/635930631.db2.gz PYWSLIJKZAAACE-QWHCGFSZSA-N 1 2 244.338 3.703 20 0 BHADLO Cc1cccc([C@H](C)[NH2+][C@@H](C)c2ncco2)c1C ZINC000925081135 635930339 /nfs/dbraw/zinc/93/03/39/635930339.db2.gz PYWSLIJKZAAACE-STQMWFEESA-N 1 2 244.338 3.703 20 0 BHADLO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ncco2)cc1F ZINC000925253029 636522235 /nfs/dbraw/zinc/52/22/35/636522235.db2.gz BKSLJYCYHFHGPB-GHMZBOCLSA-N 1 2 248.301 3.534 20 0 BHADLO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ncco2)cc1F ZINC000925253030 636522087 /nfs/dbraw/zinc/52/20/87/636522087.db2.gz BKSLJYCYHFHGPB-MNOVXSKESA-N 1 2 248.301 3.534 20 0 BHADLO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ncco2)cc1F ZINC000925253032 636521508 /nfs/dbraw/zinc/52/15/08/636521508.db2.gz BKSLJYCYHFHGPB-QWRGUYRKSA-N 1 2 248.301 3.534 20 0 BHADLO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ncco2)cc1F ZINC000925253033 636522605 /nfs/dbraw/zinc/52/26/05/636522605.db2.gz BKSLJYCYHFHGPB-WDEREUQCSA-N 1 2 248.301 3.534 20 0 BHADLO Cc1cc([C@@H](C)[NH2+][C@H](C)c2ncco2)ccc1F ZINC000925504050 646307031 /nfs/dbraw/zinc/30/70/31/646307031.db2.gz MFLOWZUWYODVAO-GHMZBOCLSA-N 1 2 248.301 3.534 20 0 BHADLO Cc1cc([C@@H](C)[NH2+][C@@H](C)c2ncco2)ccc1F ZINC000925504052 646305267 /nfs/dbraw/zinc/30/52/67/646305267.db2.gz MFLOWZUWYODVAO-MNOVXSKESA-N 1 2 248.301 3.534 20 0 BHADLO Cc1cc([C@H](C)[NH2+][C@@H](C)c2ncco2)ccc1F ZINC000925504053 633830250 /nfs/dbraw/zinc/83/02/50/633830250.db2.gz MFLOWZUWYODVAO-QWRGUYRKSA-N 1 2 248.301 3.534 20 0 BHADLO Cc1cc([C@H](C)[NH2+][C@H](C)c2ncco2)ccc1F ZINC000925504056 633830493 /nfs/dbraw/zinc/83/04/93/633830493.db2.gz MFLOWZUWYODVAO-WDEREUQCSA-N 1 2 248.301 3.534 20 0 BHADLO C[C@@H]([NH2+]CC(C)(F)F)c1coc2ccccc12 ZINC000926486761 646657927 /nfs/dbraw/zinc/65/79/27/646657927.db2.gz QMVRABTVCWUXJP-SECBINFHSA-N 1 2 239.265 3.739 20 0 BHADLO C[C@H]([NH2+]CC(C)(F)F)c1coc2ccccc12 ZINC000926486762 646658253 /nfs/dbraw/zinc/65/82/53/646658253.db2.gz QMVRABTVCWUXJP-VIFPVBQESA-N 1 2 239.265 3.739 20 0 BHADLO Cc1cc(NC2C[C@H]3CC[C@@H](C2)S3)c[nH+]c1C ZINC000926854628 645456682 /nfs/dbraw/zinc/45/66/82/645456682.db2.gz DNCCTEXGQYONEV-QXMXGUDHSA-N 1 2 248.395 3.537 20 0 BHADLO Cc1cc(F)ccc1[C@@H](C)[NH2+][C@H](C)c1ncco1 ZINC000926896650 645481474 /nfs/dbraw/zinc/48/14/74/645481474.db2.gz BRXAHVBYWRJYEJ-GHMZBOCLSA-N 1 2 248.301 3.534 20 0 BHADLO Cc1cc(F)ccc1[C@@H](C)[NH2+][C@@H](C)c1ncco1 ZINC000926896651 645479992 /nfs/dbraw/zinc/47/99/92/645479992.db2.gz BRXAHVBYWRJYEJ-MNOVXSKESA-N 1 2 248.301 3.534 20 0 BHADLO Cc1cc(F)ccc1[C@H](C)[NH2+][C@@H](C)c1ncco1 ZINC000926896653 645480642 /nfs/dbraw/zinc/48/06/42/645480642.db2.gz BRXAHVBYWRJYEJ-QWRGUYRKSA-N 1 2 248.301 3.534 20 0 BHADLO Cc1cc(F)ccc1[C@H](C)[NH2+][C@H](C)c1ncco1 ZINC000926896654 645480563 /nfs/dbraw/zinc/48/05/63/645480563.db2.gz BRXAHVBYWRJYEJ-WDEREUQCSA-N 1 2 248.301 3.534 20 0 BHADLO CC1=C(C)C[N@@H+](Cc2coc(C(C)(C)C)n2)CC1 ZINC000930298733 639686577 /nfs/dbraw/zinc/68/65/77/639686577.db2.gz POCQSTLQXIRLIW-UHFFFAOYSA-N 1 2 248.370 3.514 20 0 BHADLO CC1=C(C)C[N@H+](Cc2coc(C(C)(C)C)n2)CC1 ZINC000930298733 639686569 /nfs/dbraw/zinc/68/65/69/639686569.db2.gz POCQSTLQXIRLIW-UHFFFAOYSA-N 1 2 248.370 3.514 20 0 BHADLO