smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+](CC)CCOc1cc(C)ccc1C(C)C ZINC000000002125 350311579 /nfs/dbraw/zinc/31/15/79/350311579.db2.gz NWMFJTRBFZCTSP-UHFFFAOYSA-N 1 0 249.398 3.839 50 0 BHAARO Nc1c2ccccc2[nH+]c2c1CCc1ccccc1-2 ZINC000000003275 368474296 /nfs/dbraw/zinc/47/42/96/368474296.db2.gz FRXXZKCFLLWYIW-UHFFFAOYSA-N 1 0 246.313 3.583 50 0 BHAARO Cc1[nH]c2ccc(Cl)cc2c1C1=CC[NH2+]CC1 ZINC000000009350 342669737 /nfs/dbraw/zinc/66/97/37/342669737.db2.gz BPPGPYJBCVXILI-UHFFFAOYSA-N 1 0 246.741 3.506 50 0 in-vitro BHAARO c1[nH]c2ccccc2c1CC[NH2+]C1CCCCC1 ZINC000000068845 383821514 /nfs/dbraw/zinc/82/15/14/383821514.db2.gz IJHNRNKVSNWVEH-UHFFFAOYSA-N 1 0 242.366 3.633 50 0 BHAARO CC[C@@H]1CSC(Nc2c(C)cccc2C)=N1 ZINC000000071831 171113740 /nfs/dbraw/zinc/11/37/40/171113740.db2.gz MHRQCTPLDAVCIM-LLVKDONJSA-N 1 0 234.368 3.597 50 0 BHAARO [NH3+]CCc1c[nH]c2ccc(C3CCCCC3)cc12 ZINC000000077296 387960274 /nfs/dbraw/zinc/96/02/74/387960274.db2.gz RJUVCCRVXSXQIK-UHFFFAOYSA-N 1 0 242.366 3.717 50 0 BHAARO CC1=[N+](C)c2cc(C(F)(F)F)ccc2C1(C)C ZINC000000086924 168137691 /nfs/dbraw/zinc/13/76/91/168137691.db2.gz FXSPBSHYZGMTBT-UHFFFAOYSA-N 1 0 242.264 3.731 50 0 BHAARO Clc1ccc([C@@H]2[NH2+]CCc3sccc32)cc1 ZINC000000106584 342674756 /nfs/dbraw/zinc/67/47/56/342674756.db2.gz CSDQQAQKBAQLLE-ZDUSSCGKSA-N 1 0 249.766 3.637 50 0 BHAARO Clc1ccc([C@H]2[NH2+]CCc3sccc32)cc1 ZINC000000106586 180585164 /nfs/dbraw/zinc/58/51/64/180585164.db2.gz CSDQQAQKBAQLLE-CYBMUJFWSA-N 1 0 249.766 3.637 50 0 BHAARO Cc1cc(NCc2ccco2)c2ccccc2[nH+]1 ZINC000000120722 178174982 /nfs/dbraw/zinc/17/49/82/178174982.db2.gz GYBMNXQOGHWLQH-UHFFFAOYSA-N 1 0 238.290 3.748 50 0 BHAARO Cc1cc(NCc2cccnc2)c2ccccc2[nH+]1 ZINC000000120735 178175476 /nfs/dbraw/zinc/17/54/76/178175476.db2.gz FOIYPMQRYMSCNE-UHFFFAOYSA-N 1 0 249.317 3.550 50 0 BHAARO CC(C)Nc1c2c([nH+]c3ccccc31)CCC2 ZINC000000122803 167142241 /nfs/dbraw/zinc/14/22/41/167142241.db2.gz PHBZURKMRLEPBX-UHFFFAOYSA-N 1 0 226.323 3.544 50 0 BHAARO C[N@H+](Cc1c[nH]c2ccccc12)C1CCCCC1 ZINC000000142604 383833818 /nfs/dbraw/zinc/83/38/18/383833818.db2.gz XOXQJWBXMAGITH-UHFFFAOYSA-N 1 0 242.366 3.932 50 0 BHAARO C[C@H]1CCCC[N@@H+]1Cc1c[nH]c2ccccc12 ZINC000000142612 177076337 /nfs/dbraw/zinc/07/63/37/177076337.db2.gz YUGZVPKKTDKFMZ-LBPRGKRZSA-N 1 0 228.339 3.542 50 0 BHAARO C[C@@H]1CCCC[N@@H+]1Cc1c[nH]c2ccccc12 ZINC000000142616 176073511 /nfs/dbraw/zinc/07/35/11/176073511.db2.gz YUGZVPKKTDKFMZ-GFCCVEGCSA-N 1 0 228.339 3.542 50 0 BHAARO CC[C@H]1CCCC[N@@H+]1Cc1c[nH]c2ccccc12 ZINC000000142624 344565261 /nfs/dbraw/zinc/56/52/61/344565261.db2.gz QRUIXROOBRASNA-AWEZNQCLSA-N 1 0 242.366 3.932 50 0 BHAARO CC[C@@H]1CCCC[N@@H+]1Cc1c[nH]c2ccccc12 ZINC000000142628 344565256 /nfs/dbraw/zinc/56/52/56/344565256.db2.gz QRUIXROOBRASNA-CQSZACIVSA-N 1 0 242.366 3.932 50 0 BHAARO [NH3+]Cc1c(Cl)cccc1Oc1ccccc1 ZINC000000159665 383836405 /nfs/dbraw/zinc/83/64/05/383836405.db2.gz SNTOZVXKDWQFEW-UHFFFAOYSA-N 1 0 233.698 3.591 50 0 in-vivo BHAARO Cc1ccccc1NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000000173077 179304326 /nfs/dbraw/zinc/30/43/26/179304326.db2.gz SNRYQVKFLGRBFH-UHFFFAOYSA-N 1 0 246.398 3.716 50 0 BHAARO Cc1[nH]c2ccccc2c1C[NH+]1CCCCCC1 ZINC000000200385 177515399 /nfs/dbraw/zinc/51/53/99/177515399.db2.gz ADAQPGHRUBPWHZ-UHFFFAOYSA-N 1 0 242.366 3.852 50 0 BHAARO c1[nH]c2ccccc2c1C[NH2+]C1CCCCCC1 ZINC000000215763 183437941 /nfs/dbraw/zinc/43/79/41/183437941.db2.gz IUQFASBFPJNXNL-UHFFFAOYSA-N 1 0 242.366 3.980 50 0 BHAARO Cn1cc(C[NH2+]C2CCCCC2)c2ccccc21 ZINC000000215765 342680418 /nfs/dbraw/zinc/68/04/18/342680418.db2.gz XPFMACMHFOGRMU-UHFFFAOYSA-N 1 0 242.366 3.601 50 0 BHAARO COc1ccc(C[N@H+](C)C2CCCCC2)cc1C ZINC000000217021 383844356 /nfs/dbraw/zinc/84/43/56/383844356.db2.gz YDCADMWACCNXFD-UHFFFAOYSA-N 1 0 247.382 3.768 50 0 BHAARO COc1ccc(C[NH+]2CCC(C)CC2)c(C)c1C ZINC000000217048 342680414 /nfs/dbraw/zinc/68/04/14/342680414.db2.gz PORJDBLXPJEPLK-UHFFFAOYSA-N 1 0 247.382 3.544 50 0 BHAARO COc1ccc(CC[C@H](C)[NH2+]C2CCCC2)cc1 ZINC000000220612 175093431 /nfs/dbraw/zinc/09/34/31/175093431.db2.gz TVXAYYFRMVHKAK-ZDUSSCGKSA-N 1 0 247.382 3.549 50 0 BHAARO COc1ccc(CC[C@@H](C)[NH2+]C2CCCC2)cc1 ZINC000000220622 175092741 /nfs/dbraw/zinc/09/27/41/175092741.db2.gz TVXAYYFRMVHKAK-CYBMUJFWSA-N 1 0 247.382 3.549 50 0 BHAARO Cc1ccc2[nH]c3c(c2c1)C(C)(C)[NH2+]C(C)(C)C3 ZINC000000226103 178935305 /nfs/dbraw/zinc/93/53/05/178935305.db2.gz HTQJCMOCDKUUMG-UHFFFAOYSA-N 1 0 242.366 3.636 50 0 BHAARO C[C@H](CCCC(C)(C)O)[NH2+]C1CCCCCC1 ZINC000000227524 342680675 /nfs/dbraw/zinc/68/06/75/342680675.db2.gz ROHUHIWEOOVMEQ-CYBMUJFWSA-N 1 0 241.419 3.629 50 0 BHAARO CCC1CCC([N@H+](C)CCc2ccccn2)CC1 ZINC000000229827 356951667 /nfs/dbraw/zinc/95/16/67/356951667.db2.gz NXSLTLAORWDLGA-UHFFFAOYSA-N 1 0 246.398 3.525 50 0 BHAARO c1[nH]c2ccccc2c1C[NH+]1CCCCCC1 ZINC000000237940 383845953 /nfs/dbraw/zinc/84/59/53/383845953.db2.gz PDUPXVBNXBQTQH-UHFFFAOYSA-N 1 0 228.339 3.544 50 0 BHAARO COc1ccc(C[NH+]2CCCCCC2)c(C)c1C ZINC000000240009 383845812 /nfs/dbraw/zinc/84/58/12/383845812.db2.gz XRJDYIVGHNOQNU-UHFFFAOYSA-N 1 0 247.382 3.688 50 0 BHAARO [NH2+]=C1NC2=C(CCCC2)C2(CCCCC2)S1 ZINC000000244424 181337571 /nfs/dbraw/zinc/33/75/71/181337571.db2.gz NQAWQTUJTNVDCW-UHFFFAOYSA-N 1 0 236.384 3.579 50 0 BHAARO C[C@H]([NH2+]Cc1ccccc1F)c1ccccc1 ZINC000000251472 383848423 /nfs/dbraw/zinc/84/84/23/383848423.db2.gz QUVRKGZWNACTOD-LBPRGKRZSA-N 1 0 229.298 3.677 50 0 BHAARO CC[NH+](CC)CCC(=O)c1ccc(C(C)C)cc1 ZINC000000269299 342681952 /nfs/dbraw/zinc/68/19/52/342681952.db2.gz RXXZVGHIGLEKQL-UHFFFAOYSA-N 1 0 247.382 3.725 50 0 BHAARO Cc1ccc2c(c1)sc[n+]2Cc1ccccc1 ZINC000000272618 342681763 /nfs/dbraw/zinc/68/17/63/342681763.db2.gz WGSCUZMYPYSFDI-UHFFFAOYSA-N 1 0 240.351 3.546 50 0 BHAARO Cc1ccc(C)c2c(N)c3c([nH+]c12)CCCCC3 ZINC000000276639 178504562 /nfs/dbraw/zinc/50/45/62/178504562.db2.gz NGBCIYMHXHUPJG-UHFFFAOYSA-N 1 0 240.350 3.703 50 0 BHAARO COc1ccc(C[N@@H+]2CCCC[C@H]2C)c(C)c1C ZINC000000277896 175098953 /nfs/dbraw/zinc/09/89/53/175098953.db2.gz UWRWRXWLLGXKFW-GFCCVEGCSA-N 1 0 247.382 3.686 50 0 BHAARO COc1ccc(C[N@@H+]2CCCC[C@@H]2C)c(C)c1C ZINC000000277898 175098812 /nfs/dbraw/zinc/09/88/12/175098812.db2.gz UWRWRXWLLGXKFW-LBPRGKRZSA-N 1 0 247.382 3.686 50 0 BHAARO CC[C@H]1CCCC[N@@H+]1Cc1ccc(OC)c(C)c1 ZINC000000279401 342682026 /nfs/dbraw/zinc/68/20/26/342682026.db2.gz PMUOMFGRPVAPMX-HNNXBMFYSA-N 1 0 247.382 3.768 50 0 BHAARO CC[C@@H]1CCCC[N@@H+]1Cc1ccc(OC)c(C)c1 ZINC000000279402 342682184 /nfs/dbraw/zinc/68/21/84/342682184.db2.gz PMUOMFGRPVAPMX-OAHLLOKOSA-N 1 0 247.382 3.768 50 0 BHAARO COc1cc(C)c(C[N@@H+]2CCC[C@@H](C)C2)cc1C ZINC000000279437 343269341 /nfs/dbraw/zinc/26/93/41/343269341.db2.gz CBOPVCLWJJSXBV-GFCCVEGCSA-N 1 0 247.382 3.544 50 0 BHAARO COc1cc(C)c(C[N@@H+]2CCC[C@H](C)C2)cc1C ZINC000000279439 174957608 /nfs/dbraw/zinc/95/76/08/174957608.db2.gz CBOPVCLWJJSXBV-LBPRGKRZSA-N 1 0 247.382 3.544 50 0 BHAARO COc1ccccc1C[NH2+]C1CCCCCC1 ZINC000000279756 175329300 /nfs/dbraw/zinc/32/93/00/175329300.db2.gz UACFBBABZWCFMY-UHFFFAOYSA-N 1 0 233.355 3.508 50 0 BHAARO CC(C)(C)C1CCC([NH2+]Cc2ccncc2)CC1 ZINC000000279845 643514496 /nfs/dbraw/zinc/51/44/96/643514496.db2.gz RJFPAYBSJFCLQN-UHFFFAOYSA-N 1 0 246.398 3.776 50 0 BHAARO Fc1ccc(C[NH+]2CCCCCCC2)cc1 ZINC000000282660 180966294 /nfs/dbraw/zinc/96/62/94/180966294.db2.gz CVOVJIPZIIWBKP-UHFFFAOYSA-N 1 0 221.319 3.592 50 0 BHAARO Clc1ccccc1C[NH2+]Cc1ccccc1 ZINC000000290345 342682422 /nfs/dbraw/zinc/68/24/22/342682422.db2.gz RLPZBYLIRBRIPA-UHFFFAOYSA-N 1 0 231.726 3.630 50 0 BHAARO Clc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000000291995 346406818 /nfs/dbraw/zinc/40/68/18/346406818.db2.gz HYVIGCJJIMMLDX-UHFFFAOYSA-N 1 0 223.747 3.716 50 0 BHAARO c1cc(C[NH+]2CCCCCCC2)cs1 ZINC000000292040 183339046 /nfs/dbraw/zinc/33/90/46/183339046.db2.gz LOOLPYZYJXBZPQ-UHFFFAOYSA-N 1 0 209.358 3.514 50 0 BHAARO CSc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000000292276 383851260 /nfs/dbraw/zinc/85/12/60/383851260.db2.gz QEYWEKIGIDEREK-UHFFFAOYSA-N 1 0 235.396 3.785 50 0 BHAARO Fc1cccc(C[NH+]2CCCCCCC2)c1 ZINC000000294232 180996124 /nfs/dbraw/zinc/99/61/24/180996124.db2.gz IUHCHPHJFFVVAN-UHFFFAOYSA-N 1 0 221.319 3.592 50 0 BHAARO CC[n+]1c(C)sc2ccc3ccccc3c21 ZINC000000294944 188099355 /nfs/dbraw/zinc/09/93/55/188099355.db2.gz ATFWYVHOXDEENI-UHFFFAOYSA-N 1 0 228.340 3.670 50 0 BHAARO CCO/C(C)=C/c1sc2ccccc2[n+]1CC ZINC000000320216 170179424 /nfs/dbraw/zinc/17/94/24/170179424.db2.gz VRDIHFWFLTVUMV-ZHACJKMWSA-N 1 0 248.371 3.606 50 0 BHAARO Cc1cc(C)c2[nH+]c3c(c(N)c2c1)CCCCC3 ZINC000000328092 384989153 /nfs/dbraw/zinc/98/91/53/384989153.db2.gz LUSABPPAFHAANK-UHFFFAOYSA-N 1 0 240.350 3.703 50 0 BHAARO Clc1ccc(C[NH2+]Cc2ccccc2)cc1 ZINC000000329435 342683346 /nfs/dbraw/zinc/68/33/46/342683346.db2.gz NLJKKSSMEUWPKM-UHFFFAOYSA-N 1 0 231.726 3.630 50 0 BHAARO C[C@H]1CC2(CCCCC2)[N+](=O)Cc2ccccc21 ZINC000000333270 177067888 /nfs/dbraw/zinc/06/78/88/177067888.db2.gz ARBPNYCSPXVPRZ-ZDUSSCGKSA-N 1 0 243.350 3.826 50 0 BHAARO C[C@@H]1CC2(CCCCC2)[N+](=O)Cc2ccccc21 ZINC000000333274 176057739 /nfs/dbraw/zinc/05/77/39/176057739.db2.gz ARBPNYCSPXVPRZ-CYBMUJFWSA-N 1 0 243.350 3.826 50 0 BHAARO [NH3+]CC1(c2ccc(Cl)s2)CCCCC1 ZINC000000337228 181363004 /nfs/dbraw/zinc/36/30/04/181363004.db2.gz QLHVIUMPSVVQRM-UHFFFAOYSA-N 1 0 229.776 3.562 50 0 BHAARO C[NH+](C)CCc1csc2ccc(Cl)cc12 ZINC000000338877 384318959 /nfs/dbraw/zinc/31/89/59/384318959.db2.gz GXMQCUIDZTUNHV-UHFFFAOYSA-N 1 0 239.771 3.659 50 0 BHAARO Cc1ccc2scc(C[NH+]3CCCC3)c2c1 ZINC000000338882 346417513 /nfs/dbraw/zinc/41/75/13/346417513.db2.gz QTUPAMHEFKJIRX-UHFFFAOYSA-N 1 0 231.364 3.806 50 0 BHAARO CC(C)[C@@H]1[NH2+]CCc2c3ccccc3sc21 ZINC000000338936 188158340 /nfs/dbraw/zinc/15/83/40/188158340.db2.gz GLVTXPPAWNTQFP-ZDUSSCGKSA-N 1 0 231.364 3.744 50 0 BHAARO CC(C)[C@H]1[NH2+]CCc2c3ccccc3sc21 ZINC000000338937 346417433 /nfs/dbraw/zinc/41/74/33/346417433.db2.gz GLVTXPPAWNTQFP-CYBMUJFWSA-N 1 0 231.364 3.744 50 0 BHAARO Cc1sc(C[NH+](C)C)cc1-c1ccccc1 ZINC000000338982 346417133 /nfs/dbraw/zinc/41/71/33/346417133.db2.gz IVPGDYCIWBCHHH-UHFFFAOYSA-N 1 0 231.364 3.785 50 0 BHAARO C[C@H]([NH3+])Cc1ccccc1Sc1ccccc1 ZINC000000346213 176762337 /nfs/dbraw/zinc/76/23/37/176762337.db2.gz YAVMUWLXBUSPSI-LBPRGKRZSA-N 1 0 243.375 3.728 50 0 BHAARO C[C@@H]([NH3+])Cc1ccccc1Sc1ccccc1 ZINC000000346214 175807099 /nfs/dbraw/zinc/80/70/99/175807099.db2.gz YAVMUWLXBUSPSI-GFCCVEGCSA-N 1 0 243.375 3.728 50 0 BHAARO C[NH+](C)Cc1ccccc1Oc1ccccc1 ZINC000000346601 344714087 /nfs/dbraw/zinc/71/40/87/344714087.db2.gz BBLALPDUHCRAKZ-UHFFFAOYSA-N 1 0 227.307 3.541 50 0 in-vivo BHAARO CC(C)[C@@H](C)[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000000352116 167381671 /nfs/dbraw/zinc/38/16/71/167381671.db2.gz CJRGZCNTIHIPSI-SNVBAGLBSA-N 1 0 245.288 3.840 50 0 BHAARO CC(C)[C@H](C)[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000000352117 383856884 /nfs/dbraw/zinc/85/68/84/383856884.db2.gz CJRGZCNTIHIPSI-JTQLQIEISA-N 1 0 245.288 3.840 50 0 BHAARO c1sc2ccccc2c1C[NH+]1CCCCC1 ZINC000000356959 183437925 /nfs/dbraw/zinc/43/79/25/183437925.db2.gz JKRKLHWYSPAZAT-UHFFFAOYSA-N 1 0 231.364 3.887 50 0 BHAARO C[C@H]([NH2+]Cc1ccc(F)cc1)c1ccccc1 ZINC000000357571 383859905 /nfs/dbraw/zinc/85/99/05/383859905.db2.gz HSJNHKWTWTXYLV-LBPRGKRZSA-N 1 0 229.298 3.677 50 0 BHAARO C[C@@H]([NH2+]Cc1ccc(F)cc1)c1ccccc1 ZINC000000357573 383858537 /nfs/dbraw/zinc/85/85/37/383858537.db2.gz HSJNHKWTWTXYLV-GFCCVEGCSA-N 1 0 229.298 3.677 50 0 BHAARO CCn1c(C)[o+]c2ccc(-c3ccccc3)cc21 ZINC000000357716 188453018 /nfs/dbraw/zinc/45/30/18/188453018.db2.gz RCJIJPZYPFGZEW-UHFFFAOYSA-N 1 0 238.310 3.716 50 0 BHAARO c1ccc2c(c1)cccc2C[NH2+]Cc1cccnc1 ZINC000000359784 383858491 /nfs/dbraw/zinc/85/84/91/383858491.db2.gz AXTCUNQBYAOHSZ-UHFFFAOYSA-N 1 0 248.329 3.525 50 0 BHAARO Cc1ccsc1C[NH2+][C@@H](C)c1ccccc1 ZINC000000359919 342684858 /nfs/dbraw/zinc/68/48/58/342684858.db2.gz UDAPQPLIQKPCED-LBPRGKRZSA-N 1 0 231.364 3.907 50 0 BHAARO Cc1ccsc1C[NH2+][C@H](C)c1ccccc1 ZINC000000359921 342684931 /nfs/dbraw/zinc/68/49/31/342684931.db2.gz UDAPQPLIQKPCED-GFCCVEGCSA-N 1 0 231.364 3.907 50 0 BHAARO CCc1ccc(C[NH2+]Cc2cccs2)cc1 ZINC000000360089 383859858 /nfs/dbraw/zinc/85/98/58/383859858.db2.gz NXPRFDWNDBBGDK-UHFFFAOYSA-N 1 0 231.364 3.600 50 0 BHAARO Fc1ccc(C[NH2+]Cc2ccc(Cl)cc2)cc1 ZINC000000360339 342684867 /nfs/dbraw/zinc/68/48/67/342684867.db2.gz BMBNBIAXGOSTJF-UHFFFAOYSA-N 1 0 249.716 3.769 50 0 BHAARO CSc1ccc(C[NH2+]Cc2cccs2)cc1 ZINC000000360548 342684972 /nfs/dbraw/zinc/68/49/72/342684972.db2.gz HIDVBXXWFNQKDB-UHFFFAOYSA-N 1 0 249.404 3.760 50 0 BHAARO CC[n+]1c(C)sc2c1ccc1ccccc21 ZINC000000363038 188158753 /nfs/dbraw/zinc/15/87/53/188158753.db2.gz RKKGTDYEFIQBEB-UHFFFAOYSA-N 1 0 228.340 3.670 50 0 BHAARO CC[n+]1c(C)sc2ccc3sccc3c21 ZINC000000370083 384147889 /nfs/dbraw/zinc/14/78/89/384147889.db2.gz YBMNWNOTOOKYHX-UHFFFAOYSA-N 1 0 234.369 3.732 50 0 BHAARO Cc1ccc(C[NH2+]Cc2ccccc2Cl)cc1 ZINC000000386353 342685715 /nfs/dbraw/zinc/68/57/15/342685715.db2.gz QGGAOVQROCEIFU-UHFFFAOYSA-N 1 0 245.753 3.938 50 0 BHAARO C[C@H]1CC(Nc2ccc(Cl)cc2)=[NH+]C1(C)C ZINC000000386606 177066147 /nfs/dbraw/zinc/06/61/47/177066147.db2.gz ZODTZTHVFWVIJZ-VIFPVBQESA-N 1 0 236.746 3.969 50 0 BHAARO C[C@@H]1CC(Nc2ccc(Cl)cc2)=[NH+]C1(C)C ZINC000000386607 176055535 /nfs/dbraw/zinc/05/55/35/176055535.db2.gz ZODTZTHVFWVIJZ-SECBINFHSA-N 1 0 236.746 3.969 50 0 BHAARO CC[n+]1c(C)sc2c3ccccc3sc21 ZINC000000391766 188158895 /nfs/dbraw/zinc/15/88/95/188158895.db2.gz WVJZELJCDYRMAQ-UHFFFAOYSA-N 1 0 234.369 3.732 50 0 BHAARO Cc1sc2ccccc2[n+]1Cc1ccccc1 ZINC000000394218 180559248 /nfs/dbraw/zinc/55/92/48/180559248.db2.gz GUKBPNZRLOTXKE-UHFFFAOYSA-N 1 0 240.351 3.546 50 0 BHAARO Clc1ccc(-c2csc3cccc[n+]32)cc1 ZINC000000397484 356358191 /nfs/dbraw/zinc/35/81/91/356358191.db2.gz ZUDVHNBZXUFJBS-UHFFFAOYSA-N 1 0 246.742 3.807 50 0 BHAARO CCSc1ccc2cc(C)ccc2[n+]1CC ZINC000000402519 350332305 /nfs/dbraw/zinc/33/23/05/350332305.db2.gz SOVLBOMQTPNGBI-UHFFFAOYSA-N 1 0 232.372 3.568 50 0 BHAARO Cc1ccc(C[n+]2csc3ccccc32)cc1 ZINC000000404878 322809605 /nfs/dbraw/zinc/80/96/05/322809605.db2.gz ZAOGXMLEZJCZBM-UHFFFAOYSA-N 1 0 240.351 3.546 50 0 BHAARO CC[NH+](CC)CCSc1c[nH]c2ccccc12 ZINC000000480364 342688554 /nfs/dbraw/zinc/68/85/54/342688554.db2.gz YSHQTDXZRXKMIX-UHFFFAOYSA-N 1 0 248.395 3.602 50 0 BHAARO CC1=[N+](C)c2cccc(C(F)(F)F)c2C1(C)C ZINC000000495129 168138049 /nfs/dbraw/zinc/13/80/49/168138049.db2.gz JXRFKZZKSXSTNB-UHFFFAOYSA-N 1 0 242.264 3.731 50 0 BHAARO Clc1ccc(NC2=[NH+]CCC2)cc1Cl ZINC000000510381 346951331 /nfs/dbraw/zinc/95/13/31/346951331.db2.gz QJYDWXXPXYARJI-UHFFFAOYSA-N 1 0 229.110 3.598 50 0 BHAARO Cc1ccc(Nc2[nH]c3ccccc3[nH+]2)cc1C ZINC000000513044 385352293 /nfs/dbraw/zinc/35/22/93/385352293.db2.gz SSVYKECSVOMTAZ-UHFFFAOYSA-N 1 0 237.306 3.923 50 0 BHAARO CCc1ccc(Nc2[nH]c3ccccc3[nH+]2)cc1 ZINC000000513050 385351995 /nfs/dbraw/zinc/35/19/95/385351995.db2.gz WEXZUBQPYBQBST-UHFFFAOYSA-N 1 0 237.306 3.869 50 0 BHAARO CCn1c2ccccc2nc1NC1CCCCC1 ZINC000000513462 172146620 /nfs/dbraw/zinc/14/66/20/172146620.db2.gz NJWFKXMAIJGTGY-UHFFFAOYSA-N 1 0 243.354 3.801 50 0 BHAARO CC1=C(c2c[nH]c3ccccc23)C[C@H](C)[N@@H+](C)C1 ZINC000000517759 168088131 /nfs/dbraw/zinc/08/81/31/168088131.db2.gz ZXLLVEXGVISQRV-LBPRGKRZSA-N 1 0 240.350 3.665 50 0 BHAARO CC1=C(c2c[nH]c3ccccc23)C[C@@H](C)[N@@H+](C)C1 ZINC000000517760 168088028 /nfs/dbraw/zinc/08/80/28/168088028.db2.gz ZXLLVEXGVISQRV-GFCCVEGCSA-N 1 0 240.350 3.665 50 0 BHAARO Clc1ccc(NC2=[NH+]CCCCC2)cc1 ZINC000000550257 347000322 /nfs/dbraw/zinc/00/03/22/347000322.db2.gz ZUBMDAMPFXPZTQ-UHFFFAOYSA-N 1 0 222.719 3.724 50 0 BHAARO c1ccc2c(c1)cccc2C[NH2+]Cc1ccncc1 ZINC000000571076 383875539 /nfs/dbraw/zinc/87/55/39/383875539.db2.gz PYVQOXQSSXKSJX-UHFFFAOYSA-N 1 0 248.329 3.525 50 0 BHAARO C[C@H]([NH2+]Cc1cccs1)c1ccccc1 ZINC000000572529 383875531 /nfs/dbraw/zinc/87/55/31/383875531.db2.gz PRHITJFVXXYYRE-NSHDSACASA-N 1 0 217.337 3.599 50 0 BHAARO C[C@@H]([NH2+]Cc1cccs1)c1ccccc1 ZINC000000572530 342690451 /nfs/dbraw/zinc/69/04/51/342690451.db2.gz PRHITJFVXXYYRE-LLVKDONJSA-N 1 0 217.337 3.599 50 0 BHAARO CC(C)Cc1nc2ccccc2n1CC(C)C ZINC000000572580 385569092 /nfs/dbraw/zinc/56/90/92/385569092.db2.gz DVNVBVMBMOUQTF-UHFFFAOYSA-N 1 0 230.355 3.891 50 0 BHAARO Fc1ccc(C[NH2+]Cc2ccccc2Cl)cc1 ZINC000000576406 383877627 /nfs/dbraw/zinc/87/76/27/383877627.db2.gz XZIIOVUWCNGFPS-UHFFFAOYSA-N 1 0 249.716 3.769 50 0 BHAARO Cc1ccc(Nc2[nH]c3ccccc3[nH+]2)cc1 ZINC000000580198 342690733 /nfs/dbraw/zinc/69/07/33/342690733.db2.gz NBVROPPDPDWKLG-UHFFFAOYSA-N 1 0 223.279 3.615 50 0 BHAARO [NH2+]=C(NC1CCCCC1)c1ccc(Cl)cc1 ZINC000000608488 181198981 /nfs/dbraw/zinc/19/89/81/181198981.db2.gz ZMFKHOUYJSTZEL-UHFFFAOYSA-N 1 0 236.746 3.588 50 0 BHAARO COc1ccc(C[N@@H+]2CCC[C@@H](C)C2)c(C)c1C ZINC000000759133 187244940 /nfs/dbraw/zinc/24/49/40/187244940.db2.gz QMBKJKXXFBRETI-GFCCVEGCSA-N 1 0 247.382 3.544 50 0 BHAARO COc1ccc(C[N@@H+]2CCC[C@H](C)C2)c(C)c1C ZINC000000759135 175100288 /nfs/dbraw/zinc/10/02/88/175100288.db2.gz QMBKJKXXFBRETI-LBPRGKRZSA-N 1 0 247.382 3.544 50 0 BHAARO CCC[N@@H+](Cc1c[nH]c2ccccc12)CC1CC1 ZINC000000761365 642804560 /nfs/dbraw/zinc/80/45/60/642804560.db2.gz LRXKUEUDVQRPJV-UHFFFAOYSA-N 1 0 242.366 3.790 50 0 BHAARO COc1ccc([C@H](C)[NH2+]Cc2cccs2)cc1 ZINC000000801780 175189701 /nfs/dbraw/zinc/18/97/01/175189701.db2.gz KDTOMHLXNQRXGH-NSHDSACASA-N 1 0 247.363 3.608 50 0 BHAARO COc1ccc([C@@H](C)[NH2+]Cc2cccs2)cc1 ZINC000000801781 175176973 /nfs/dbraw/zinc/17/69/73/175176973.db2.gz KDTOMHLXNQRXGH-LLVKDONJSA-N 1 0 247.363 3.608 50 0 BHAARO c1coc(C[NH2+]Cc2cccc3ccccc32)c1 ZINC000000810248 322810005 /nfs/dbraw/zinc/81/00/05/322810005.db2.gz FLNWBNLZGZPQSG-UHFFFAOYSA-N 1 0 237.302 3.723 50 0 BHAARO COc1ccc(C[NH2+][C@@H](C)c2ccccc2)cc1 ZINC000000874260 175109247 /nfs/dbraw/zinc/10/92/47/175109247.db2.gz DMMOIEFDHGQJIY-ZDUSSCGKSA-N 1 0 241.334 3.546 50 0 BHAARO COc1ccc(C[NH2+][C@H](C)c2ccccc2)cc1 ZINC000000874263 175110802 /nfs/dbraw/zinc/11/08/02/175110802.db2.gz DMMOIEFDHGQJIY-CYBMUJFWSA-N 1 0 241.334 3.546 50 0 BHAARO C[C@@H](Cc1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000000968305 342694892 /nfs/dbraw/zinc/69/48/92/342694892.db2.gz YXKTVDFXDRQTKV-HNNXBMFYSA-N 1 0 239.362 3.750 50 0 fda BHAARO C[NH+](C)Cc1ccccc1CCc1ccccc1 ZINC000000968674 342695308 /nfs/dbraw/zinc/69/53/08/342695308.db2.gz OOYPHOCDRYIOGZ-UHFFFAOYSA-N 1 0 239.362 3.533 50 0 BHAARO c1ccc(C[n+]2cccc(-c3ccccc3)c2)cc1 ZINC000001021677 383885813 /nfs/dbraw/zinc/88/58/13/383885813.db2.gz VRBJMGMJPXCJSU-UHFFFAOYSA-N 1 0 246.333 3.689 50 0 BHAARO C[C@@H]([NH2+]C1CCCCC1)c1ccccc1 ZINC000001044430 383886190 /nfs/dbraw/zinc/88/61/90/383886190.db2.gz CDGLTZQYNKEYOI-GFCCVEGCSA-N 1 0 203.329 3.670 50 0 BHAARO CC1(C)Cc2c(ccc3ccccc32)C=[NH+]1 ZINC000001056341 350992768 /nfs/dbraw/zinc/99/27/68/350992768.db2.gz RTOLSIPCOCJZSV-UHFFFAOYSA-N 1 0 209.292 3.593 50 0 BHAARO C[C@@H]1[N@H+](Cc2ccccc2)CC12CCCCC2 ZINC000001195261 383891548 /nfs/dbraw/zinc/89/15/48/383891548.db2.gz KDXZIEBCIJZYPX-AWEZNQCLSA-N 1 0 229.367 3.841 50 0 BHAARO C[C@H]1[N@H+](Cc2ccccc2)CC12CCCCC2 ZINC000001195263 177392055 /nfs/dbraw/zinc/39/20/55/177392055.db2.gz KDXZIEBCIJZYPX-CQSZACIVSA-N 1 0 229.367 3.841 50 0 BHAARO CC1=C[C@H](C)[C@H](C[NH2+]Cc2ccco2)[C@H](C)C1 ZINC000001208581 168131698 /nfs/dbraw/zinc/13/16/98/168131698.db2.gz YHIFVIYJGMJLIA-GUTXKFCHSA-N 1 0 233.355 3.608 50 0 BHAARO Cc1c2ccccc2cc(Cc2ccccc2)[n+]1C ZINC000001225192 342698258 /nfs/dbraw/zinc/69/82/58/342698258.db2.gz SRGFBPBBXUXGIJ-UHFFFAOYSA-N 1 0 248.349 3.564 50 0 BHAARO CC[NH+](CC)Cc1cc2ccccc2cc1C ZINC000001248278 353108020 /nfs/dbraw/zinc/10/80/20/353108020.db2.gz PSUOFDPJLBZBNV-UHFFFAOYSA-N 1 0 227.351 3.990 50 0 BHAARO C[C@@H]1[NH2+]C(C)(C)CC(C)(C)c2ccccc21 ZINC000001322254 383893625 /nfs/dbraw/zinc/89/36/25/383893625.db2.gz RQBRKGKGRPCILJ-NSHDSACASA-N 1 0 217.356 3.797 50 0 BHAARO C[C@H]1[NH2+]C(C)(C)CC(C)(C)c2ccccc21 ZINC000001322255 383894428 /nfs/dbraw/zinc/89/44/28/383894428.db2.gz RQBRKGKGRPCILJ-LLVKDONJSA-N 1 0 217.356 3.797 50 0 BHAARO CCCc1nc2ccccc2n1CC(C)C ZINC000001473048 355839558 /nfs/dbraw/zinc/83/95/58/355839558.db2.gz JZPOQAWPKWTIFW-UHFFFAOYSA-N 1 0 216.328 3.645 50 0 BHAARO CCCc1nc2ccccc2n1C(C)C ZINC000001473049 355839620 /nfs/dbraw/zinc/83/96/20/355839620.db2.gz RISXKCXCETVWDF-UHFFFAOYSA-N 1 0 202.301 3.570 50 0 BHAARO CC1=[N+](C)c2c(ccc3ccccc23)C1(C)C ZINC000001496653 168138146 /nfs/dbraw/zinc/13/81/46/168138146.db2.gz AHYVBPINHNTROI-UHFFFAOYSA-N 1 0 224.327 3.866 50 0 BHAARO CC1=[N+](C)c2ccc3ccccc3c2C1(C)C ZINC000001496655 168137799 /nfs/dbraw/zinc/13/77/99/168137799.db2.gz FZBNRFHFAZCQNK-UHFFFAOYSA-N 1 0 224.327 3.866 50 0 BHAARO CC[NH+](CC)Cc1cccc(C(F)(F)F)c1 ZINC000001602969 350475614 /nfs/dbraw/zinc/47/56/14/350475614.db2.gz YVCUDBPKSSZGCY-UHFFFAOYSA-N 1 0 231.261 3.547 50 0 BHAARO O=C(CCCC[NH+]1CCCCC1)c1ccccc1 ZINC000001621782 342706330 /nfs/dbraw/zinc/70/63/30/342706330.db2.gz GWUYQKPGTWRLGK-UHFFFAOYSA-N 1 0 245.366 3.526 50 0 BHAARO c1ccc(C2=[NH+]C[C@H](c3ccccc3)C2)cc1 ZINC000001664197 183389452 /nfs/dbraw/zinc/38/94/52/183389452.db2.gz LFPDKGXXRBKSMO-OAHLLOKOSA-N 1 0 221.303 3.663 50 0 BHAARO CCCC[NH+](CCCC)CCc1ccccn1 ZINC000001675488 383920084 /nfs/dbraw/zinc/92/00/84/383920084.db2.gz FFRAESSYYAXPQG-UHFFFAOYSA-N 1 0 234.387 3.526 50 0 BHAARO C[NH+](C)CCC(c1ccccc1)c1ccccc1 ZINC000001679452 383920805 /nfs/dbraw/zinc/92/08/05/383920805.db2.gz YHDCGYWZEFIUHE-UHFFFAOYSA-N 1 0 239.362 3.770 50 0 in-vivo BHAARO Cc1ccc(N2C=[NH+]c3ccc(C)cc3C2)cc1 ZINC000001683171 132314517 /nfs/dbraw/zinc/31/45/17/132314517.db2.gz KPBHBOKRUJADIW-UHFFFAOYSA-N 1 0 236.318 3.983 50 0 BHAARO CC(C)(C)CC(C)(C)[NH2+]Cc1ccccc1 ZINC000001687220 166553331 /nfs/dbraw/zinc/55/33/31/166553331.db2.gz SRNCZQHDQZRJHU-UHFFFAOYSA-N 1 0 219.372 3.991 50 0 BHAARO c1ccc(C[NH2+]C2CCCCCCC2)cc1 ZINC000001710461 183403273 /nfs/dbraw/zinc/40/32/73/183403273.db2.gz UWJKDQJUCOWTLX-UHFFFAOYSA-N 1 0 217.356 3.889 50 0 BHAARO CN(C)c1cc(C(C)(C)C)[nH+]c(C(C)(C)C)c1 ZINC000001716331 342710853 /nfs/dbraw/zinc/71/08/53/342710853.db2.gz NAUGUUNRDWGECM-UHFFFAOYSA-N 1 0 234.387 3.743 50 0 BHAARO [NH3+][C@@H](c1ccccc1)[C@H]1CCCc2ccccc21 ZINC000001721030 342711067 /nfs/dbraw/zinc/71/10/67/342711067.db2.gz JOOCWBZKFRQWBD-IRXDYDNUSA-N 1 0 237.346 3.807 50 0 BHAARO [NH3+][C@H](c1ccccc1)[C@H]1CCCc2ccccc21 ZINC000001721031 181633782 /nfs/dbraw/zinc/63/37/82/181633782.db2.gz JOOCWBZKFRQWBD-DLBZAZTESA-N 1 0 237.346 3.807 50 0 BHAARO [NH3+][C@@H](c1ccccc1)[C@@H]1CCCc2ccccc21 ZINC000001721032 342711183 /nfs/dbraw/zinc/71/11/83/342711183.db2.gz JOOCWBZKFRQWBD-SJORKVTESA-N 1 0 237.346 3.807 50 0 BHAARO [NH3+][C@H](c1ccccc1)[C@@H]1CCCc2ccccc21 ZINC000001721033 342711180 /nfs/dbraw/zinc/71/11/80/342711180.db2.gz JOOCWBZKFRQWBD-IAGOWNOFSA-N 1 0 237.346 3.807 50 0 BHAARO c1ccc(-c2ccc([C@@H]3CCC[NH2+]3)cc2)cc1 ZINC000001724376 183379976 /nfs/dbraw/zinc/37/99/76/183379976.db2.gz VFTXXPDSXZVEAD-INIZCTEOSA-N 1 0 223.319 3.778 50 0 BHAARO C[C@@H]([NH2+]C1CCCCC1)C1CCCCC1 ZINC000001742351 383933953 /nfs/dbraw/zinc/93/39/53/383933953.db2.gz WJCWAHGTIMSOBP-GFCCVEGCSA-N 1 0 209.377 3.878 50 0 BHAARO CC[NH+](C1CCCCC1)C1CCCCC1 ZINC000001755885 342712213 /nfs/dbraw/zinc/71/22/13/342712213.db2.gz XRKQMIFKHDXFNQ-UHFFFAOYSA-N 1 0 209.377 3.974 50 0 BHAARO CCCCC1=[NH+]CCc2c3ccccc3[nH]c21 ZINC000001843751 187300139 /nfs/dbraw/zinc/30/01/39/187300139.db2.gz WPTGBHBVGHVBDZ-UHFFFAOYSA-N 1 0 226.323 3.703 50 0 BHAARO c1[nH]c2ccccc2c1C[NH+]1CCCCCCC1 ZINC000001852949 387995210 /nfs/dbraw/zinc/99/52/10/387995210.db2.gz KCXDIIFZTRAZDV-UHFFFAOYSA-N 1 0 242.366 3.934 50 0 BHAARO CCCCCC[NH+]1Cc2ccccc2C1 ZINC000001871085 358994828 /nfs/dbraw/zinc/99/48/28/358994828.db2.gz SMPSZNCWLJYMEX-UHFFFAOYSA-N 1 0 203.329 3.583 50 0 BHAARO CCCc1c(CC)c2ccccc2n1CCC[NH3+] ZINC000001872162 169561510 /nfs/dbraw/zinc/56/15/10/169561510.db2.gz LQCRLLCEIIDKJG-UHFFFAOYSA-N 1 0 244.382 3.505 50 0 BHAARO CCCC[N@H+](C)Cc1ccc(Cl)cc1 ZINC000001905345 411217873 /nfs/dbraw/zinc/21/78/73/411217873.db2.gz NLDCEPGWZSZAMV-UHFFFAOYSA-N 1 0 211.736 3.572 50 0 BHAARO c1ccc(C[NH2+]C2C3CC4CC(C3)CC2C4)cc1 ZINC000001995463 383944630 /nfs/dbraw/zinc/94/46/30/383944630.db2.gz ZCXANRFELYORDX-UHFFFAOYSA-N 1 0 241.378 3.601 50 0 BHAARO [NH3+]CCCCCCCc1c[nH]c2ccccc12 ZINC000002010881 181375364 /nfs/dbraw/zinc/37/53/64/181375364.db2.gz QMBZPQLSFZKDBT-UHFFFAOYSA-N 1 0 230.355 3.620 50 0 BHAARO CC[NH+](CC)CCSc1ccc(Cl)cc1 ZINC000002019521 342714389 /nfs/dbraw/zinc/71/43/89/342714389.db2.gz XGTCHKSZCHPKBU-UHFFFAOYSA-N 1 0 243.803 3.774 50 0 BHAARO CC1CCC([NH2+]C2CCC(C)CC2)CC1 ZINC000002022228 520952760 /nfs/dbraw/zinc/95/27/60/520952760.db2.gz MBMYWQZUIRTDLE-UHFFFAOYSA-N 1 0 209.377 3.733 50 0 BHAARO CCCCCC[NH2+][C@@H](C)c1ccccc1 ZINC000002027701 168668332 /nfs/dbraw/zinc/66/83/32/168668332.db2.gz RGSPUCRWIKFBND-ZDUSSCGKSA-N 1 0 205.345 3.918 50 0 BHAARO CCCCCC[NH2+][C@H](C)c1ccccc1 ZINC000002027702 168668369 /nfs/dbraw/zinc/66/83/69/168668369.db2.gz RGSPUCRWIKFBND-CYBMUJFWSA-N 1 0 205.345 3.918 50 0 BHAARO c1ccc(-c2ccc([C@H]3CCC[NH2+]3)cc2)cc1 ZINC000002042811 183379653 /nfs/dbraw/zinc/37/96/53/183379653.db2.gz VFTXXPDSXZVEAD-MRXNPFEDSA-N 1 0 223.319 3.778 50 0 BHAARO C[C@H]([NH2+]C[C@H]1CCOC(C)(C)C1)c1ccccc1 ZINC000002111661 176869075 /nfs/dbraw/zinc/86/90/75/176869075.db2.gz HONDPNUGEGHBGH-KBPBESRZSA-N 1 0 247.382 3.542 50 0 BHAARO C[C@@H]([NH2+]C[C@H]1CCOC(C)(C)C1)c1ccccc1 ZINC000002111663 388636331 /nfs/dbraw/zinc/63/63/31/388636331.db2.gz HONDPNUGEGHBGH-KGLIPLIRSA-N 1 0 247.382 3.542 50 0 BHAARO C[C@H]([NH2+]C[C@@H]1CCOC(C)(C)C1)c1ccccc1 ZINC000002111665 388635755 /nfs/dbraw/zinc/63/57/55/388635755.db2.gz HONDPNUGEGHBGH-UONOGXRCSA-N 1 0 247.382 3.542 50 0 BHAARO C[C@@H]([NH2+]C[C@@H]1CCOC(C)(C)C1)c1ccccc1 ZINC000002111667 388636156 /nfs/dbraw/zinc/63/61/56/388636156.db2.gz HONDPNUGEGHBGH-ZIAGYGMSSA-N 1 0 247.382 3.542 50 0 BHAARO CC(C)CC[C@@H](CC[NH3+])[C@H]1CCOC(C)(C)C1 ZINC000002118098 166893943 /nfs/dbraw/zinc/89/39/43/166893943.db2.gz JTVOKOLBCYUZGT-KBPBESRZSA-N 1 0 241.419 3.593 50 0 BHAARO CC(C)CC[C@H](CC[NH3+])[C@H]1CCOC(C)(C)C1 ZINC000002118100 342716113 /nfs/dbraw/zinc/71/61/13/342716113.db2.gz JTVOKOLBCYUZGT-KGLIPLIRSA-N 1 0 241.419 3.593 50 0 BHAARO CC(C)CC[C@@H](CC[NH3+])[C@@H]1CCOC(C)(C)C1 ZINC000002118102 166894803 /nfs/dbraw/zinc/89/48/03/166894803.db2.gz JTVOKOLBCYUZGT-UONOGXRCSA-N 1 0 241.419 3.593 50 0 BHAARO CC(C)CC[C@H](CC[NH3+])[C@@H]1CCOC(C)(C)C1 ZINC000002118103 342715998 /nfs/dbraw/zinc/71/59/98/342715998.db2.gz JTVOKOLBCYUZGT-ZIAGYGMSSA-N 1 0 241.419 3.593 50 0 BHAARO CC(C)=CCC[C@@H](C)[NH2+]Cc1ccco1 ZINC000002119200 383952106 /nfs/dbraw/zinc/95/21/06/383952106.db2.gz GZZLMYUOYGEEIK-GFCCVEGCSA-N 1 0 207.317 3.504 50 0 BHAARO c1ccc(C[NH2+]CCC2=CCCCC2)cc1 ZINC000002132373 188274698 /nfs/dbraw/zinc/27/46/98/188274698.db2.gz RTJNHLXWVAXRBH-UHFFFAOYSA-N 1 0 215.340 3.667 50 0 BHAARO Cc1ccc(C[NH2+]CCC2=CCCCC2)cc1 ZINC000002132374 342716037 /nfs/dbraw/zinc/71/60/37/342716037.db2.gz YKKABOKSWPNSMV-UHFFFAOYSA-N 1 0 229.367 3.975 50 0 BHAARO Cc1ccccc1C[NH2+]CCC1=CCCCC1 ZINC000002132376 179281496 /nfs/dbraw/zinc/28/14/96/179281496.db2.gz OSVQHCJYCVPPKY-UHFFFAOYSA-N 1 0 229.367 3.975 50 0 BHAARO Fc1ccc(C[NH2+]CCC2=CCCCC2)cc1 ZINC000002132378 342716107 /nfs/dbraw/zinc/71/61/07/342716107.db2.gz XNRWHWFIOLQMQP-UHFFFAOYSA-N 1 0 233.330 3.806 50 0 BHAARO COc1ccc(C[NH2+]CCC2=CCCCC2)cc1 ZINC000002132386 187245393 /nfs/dbraw/zinc/24/53/93/187245393.db2.gz XFIYFOQIPWAJAD-UHFFFAOYSA-N 1 0 245.366 3.675 50 0 BHAARO C[C@H]1CC(C)(C)[NH2+][C@@H](C)c2ccccc21 ZINC000002139012 177064198 /nfs/dbraw/zinc/06/41/98/177064198.db2.gz LXFNHTGMSGTRCK-QWRGUYRKSA-N 1 0 203.329 3.623 50 0 BHAARO C[C@@H]1CC(C)(C)[NH2+][C@@H](C)c2ccccc21 ZINC000002139013 385826891 /nfs/dbraw/zinc/82/68/91/385826891.db2.gz LXFNHTGMSGTRCK-MNOVXSKESA-N 1 0 203.329 3.623 50 0 BHAARO C[C@H]1[NH2+]C(C)(C)C[C@H](C)c2ccccc21 ZINC000002139015 177064244 /nfs/dbraw/zinc/06/42/44/177064244.db2.gz LXFNHTGMSGTRCK-WDEREUQCSA-N 1 0 203.329 3.623 50 0 BHAARO CC(C)=CCC/C(C)=C/C[NH2+]CC(C)C ZINC000002139044 191114207 /nfs/dbraw/zinc/11/42/07/191114207.db2.gz FENJGSXJFWEQKJ-NTEUORMPSA-N 1 0 209.377 3.925 50 0 BHAARO C[C@@H](CCc1ccccc1)[NH2+]Cc1ccccc1 ZINC000002164235 175686209 /nfs/dbraw/zinc/68/62/09/175686209.db2.gz ZASBYHZJHQFLGN-HNNXBMFYSA-N 1 0 239.362 3.798 50 0 BHAARO C[C@H](CCc1ccccc1)[NH2+]Cc1ccccc1 ZINC000002164236 342716523 /nfs/dbraw/zinc/71/65/23/342716523.db2.gz ZASBYHZJHQFLGN-OAHLLOKOSA-N 1 0 239.362 3.798 50 0 BHAARO CC[NH+](CC)CCNc1cccc2ccccc21 ZINC000002169679 169781918 /nfs/dbraw/zinc/78/19/18/169781918.db2.gz AMZRCWDZLLMPBU-UHFFFAOYSA-N 1 0 242.366 3.594 50 0 in-vitro BHAARO CCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000002171756 168826170 /nfs/dbraw/zinc/82/61/70/168826170.db2.gz CUHUGDMIHQEMCP-UHFFFAOYSA-N 1 0 231.383 3.741 50 0 BHAARO CC[NH+](CC)Cc1cccc2ccccc21 ZINC000002173259 363337137 /nfs/dbraw/zinc/33/71/37/363337137.db2.gz JIDHYTMOPLMDLX-UHFFFAOYSA-N 1 0 213.324 3.682 50 0 BHAARO CCCCC[NH2+]Cc1c(F)cccc1Cl ZINC000002178103 342716718 /nfs/dbraw/zinc/71/67/18/342716718.db2.gz PFNAQKIZCDMLAY-UHFFFAOYSA-N 1 0 229.726 3.759 50 0 BHAARO Cc1ccc(C[NH2+]CCc2ccc(F)cc2)s1 ZINC000002181786 342716694 /nfs/dbraw/zinc/71/66/94/342716694.db2.gz YTXTZYUJCUPUSP-UHFFFAOYSA-N 1 0 249.354 3.528 50 0 BHAARO CCCC[NH2+]Cc1cccc(Cl)c1Cl ZINC000002181857 168871673 /nfs/dbraw/zinc/87/16/73/168871673.db2.gz ZGDTYTOWDSIEQR-UHFFFAOYSA-N 1 0 232.154 3.883 50 0 BHAARO Cc1ccccc1OCCCCC[NH+]1CCCC1 ZINC000002183540 383957212 /nfs/dbraw/zinc/95/72/12/383957212.db2.gz QEDYMDGKAITNOS-UHFFFAOYSA-N 1 0 247.382 3.640 50 0 BHAARO Cc1ccc(OCCCCC[NH+]2CCCC2)cc1 ZINC000002183541 178811260 /nfs/dbraw/zinc/81/12/60/178811260.db2.gz BZZGABFEBXYWST-UHFFFAOYSA-N 1 0 247.382 3.640 50 0 BHAARO c1ccc(SCCC[NH2+]C2CCCC2)cc1 ZINC000002191175 342716681 /nfs/dbraw/zinc/71/66/81/342716681.db2.gz KLMDDUWELUKJJZ-UHFFFAOYSA-N 1 0 235.396 3.701 50 0 BHAARO CCc1ccc(OCCC[NH2+]C2CCCC2)cc1 ZINC000002191194 388605480 /nfs/dbraw/zinc/60/54/80/388605480.db2.gz AHHRMRFQHVKTMQ-UHFFFAOYSA-N 1 0 247.382 3.550 50 0 BHAARO Cc1cc(C)c(C)c(OCC[NH2+]C2CCCC2)c1 ZINC000002191216 383957065 /nfs/dbraw/zinc/95/70/65/383957065.db2.gz IKTKBDCLWVCJHF-UHFFFAOYSA-N 1 0 247.382 3.523 50 0 BHAARO Cc1[nH]c2ccccc2c1CC[NH2+]CC(C)(C)C ZINC000002192715 363884264 /nfs/dbraw/zinc/88/42/64/363884264.db2.gz RQLRHZDURKQNSV-UHFFFAOYSA-N 1 0 244.382 3.655 50 0 BHAARO C[NH2+]CCc1ccccc1Sc1ccccc1 ZINC000002193131 173360269 /nfs/dbraw/zinc/36/02/69/173360269.db2.gz RPMTZTCTVQCHMU-UHFFFAOYSA-N 1 0 243.375 3.600 50 0 BHAARO CC(C)[C@@H](CC[NH2+]Cc1ccco1)c1ccco1 ZINC000002198422 363900611 /nfs/dbraw/zinc/90/06/11/363900611.db2.gz DXWPURMMNRJKEM-CQSZACIVSA-N 1 0 247.338 3.792 50 0 BHAARO CC(C)[C@H](CC[NH2+]Cc1ccco1)c1ccco1 ZINC000002198424 363900405 /nfs/dbraw/zinc/90/04/05/363900405.db2.gz DXWPURMMNRJKEM-AWEZNQCLSA-N 1 0 247.338 3.792 50 0 BHAARO CC1=C[C@H](C)[C@@H](C[NH+]2CCCCC2)[C@H](C)C1 ZINC000002285721 168130852 /nfs/dbraw/zinc/13/08/52/168130852.db2.gz WMARFJKDMDFXLH-RRFJBIMHSA-N 1 0 221.388 3.711 50 0 BHAARO Cc1ccc(OCCCC[NH2+]C(C)(C)C)cc1 ZINC000002380014 383960035 /nfs/dbraw/zinc/96/00/35/383960035.db2.gz AKGQHOPWGQUJLY-UHFFFAOYSA-N 1 0 235.371 3.542 50 0 BHAARO c1ccc(C(c2ccccc2)[C@@H]2CCC[NH2+]2)cc1 ZINC000002386288 183387477 /nfs/dbraw/zinc/38/74/77/183387477.db2.gz OXOBKZZXZVFOBB-INIZCTEOSA-N 1 0 237.346 3.571 50 0 in-vitro BHAARO CC(C)[C@H]([NH3+])C(c1ccccc1)c1ccccc1 ZINC000002386289 383961341 /nfs/dbraw/zinc/96/13/41/383961341.db2.gz KJRIVAFIKUXDBL-KRWDZBQOSA-N 1 0 239.362 3.802 50 0 BHAARO Cc1cccc(C[NH2+][C@@H](C)c2ccccc2)c1 ZINC000002390500 179097342 /nfs/dbraw/zinc/09/73/42/179097342.db2.gz RIJGFBBPMPGCJT-AWEZNQCLSA-N 1 0 225.335 3.846 50 0 BHAARO COc1ccc([C@H](CC[NH3+])CCC(C)C)cc1 ZINC000002442762 388717747 /nfs/dbraw/zinc/71/77/47/388717747.db2.gz DXGPDCHFXFMSFG-AWEZNQCLSA-N 1 0 235.371 3.564 50 0 BHAARO COc1ccc([C@@H](CC[NH3+])CCC(C)C)cc1 ZINC000002442764 175178354 /nfs/dbraw/zinc/17/83/54/175178354.db2.gz DXGPDCHFXFMSFG-CQSZACIVSA-N 1 0 235.371 3.564 50 0 BHAARO CC[NH2+]CC[C@@H](Cc1ccccc1)c1ccco1 ZINC000002444786 170117553 /nfs/dbraw/zinc/11/75/53/170117553.db2.gz QJZQTCOCHDBMFH-HNNXBMFYSA-N 1 0 243.350 3.606 50 0 BHAARO CC[NH2+]CC[C@H](Cc1ccccc1)c1ccco1 ZINC000002444789 170117300 /nfs/dbraw/zinc/11/73/00/170117300.db2.gz QJZQTCOCHDBMFH-OAHLLOKOSA-N 1 0 243.350 3.606 50 0 BHAARO CC[NH+](CC)CCCCOc1cc(C)cc(C)c1 ZINC000002465895 169770568 /nfs/dbraw/zinc/77/05/68/169770568.db2.gz ROVIXWUTSJDRMQ-UHFFFAOYSA-N 1 0 249.398 3.804 50 0 BHAARO CCCCCc1ccc(C(=O)CC[NH+](C)C)cc1 ZINC000002471466 371555267 /nfs/dbraw/zinc/55/52/67/371555267.db2.gz ADPVOZXEJPIYPG-UHFFFAOYSA-N 1 0 247.382 3.554 50 0 BHAARO CC(C)c1ccc(OCCC[NH+]2CCCC2)cc1 ZINC000002486293 342721274 /nfs/dbraw/zinc/72/12/74/342721274.db2.gz WMIOZVQQYXWXRB-UHFFFAOYSA-N 1 0 247.382 3.675 50 0 BHAARO C[C@@H](Cc1ccccc1)[NH+]1Cc2ccccc2C1 ZINC000002486729 371559309 /nfs/dbraw/zinc/55/93/09/371559309.db2.gz RUYDSVKPHNJMOS-AWEZNQCLSA-N 1 0 237.346 3.633 50 0 BHAARO C[C@H](Cc1ccccc1)[NH+]1Cc2ccccc2C1 ZINC000002486730 371558400 /nfs/dbraw/zinc/55/84/00/371558400.db2.gz RUYDSVKPHNJMOS-CQSZACIVSA-N 1 0 237.346 3.633 50 0 BHAARO c1ccc(OCCCCCC[NH+]2CCCC2)cc1 ZINC000002493353 133444621 /nfs/dbraw/zinc/44/46/21/133444621.db2.gz BEJCDKTYSDLZBF-UHFFFAOYSA-N 1 0 247.382 3.722 50 0 BHAARO CC[NH+](CC)CCCCCCOc1ccccc1 ZINC000002493383 383965912 /nfs/dbraw/zinc/96/59/12/383965912.db2.gz DHWRSIZXAHTDLF-UHFFFAOYSA-N 1 0 249.398 3.968 50 0 BHAARO Cc1ccccc1OCCCC[NH+]1CCCCC1 ZINC000002493410 383967343 /nfs/dbraw/zinc/96/73/43/383967343.db2.gz AHTOPYJXJBLILF-UHFFFAOYSA-N 1 0 247.382 3.640 50 0 BHAARO Cc1ccc(OCCCC[NH+]2CCCCC2)cc1 ZINC000002493445 383967434 /nfs/dbraw/zinc/96/74/34/383967434.db2.gz WQFKTQZRNSJNPV-UHFFFAOYSA-N 1 0 247.382 3.640 50 0 BHAARO Cc1cccc(OCCCC[NH+]2CCCCC2)c1 ZINC000002493467 179164321 /nfs/dbraw/zinc/16/43/21/179164321.db2.gz LQPLLVVUKAYHDX-UHFFFAOYSA-N 1 0 247.382 3.640 50 0 BHAARO CC[NH+](CC)CCCCCOc1ccc(C)cc1 ZINC000002493538 383966455 /nfs/dbraw/zinc/96/64/55/383966455.db2.gz HMQOAGGLBDAPSQ-UHFFFAOYSA-N 1 0 249.398 3.886 50 0 BHAARO Cc1cccc(OCCC[NH+]2CCCCC2)c1C ZINC000002493541 179165188 /nfs/dbraw/zinc/16/51/88/179165188.db2.gz SCJRWTCTFOLEOQ-UHFFFAOYSA-N 1 0 247.382 3.558 50 0 BHAARO Cc1ccc(OCCCC[NH+]2CCCC2)c(C)c1 ZINC000002494094 642397571 /nfs/dbraw/zinc/39/75/71/642397571.db2.gz IWBDCWAIDITIJT-UHFFFAOYSA-N 1 0 247.382 3.558 50 0 BHAARO Cc1ccc(OCCC[NH+]2CCCCC2)cc1C ZINC000002494154 190973713 /nfs/dbraw/zinc/97/37/13/190973713.db2.gz JMDNTTQEAFPDQI-UHFFFAOYSA-N 1 0 247.382 3.558 50 0 BHAARO Cc1ccc(OCCC[NH+]2CCCCC2)c(C)c1 ZINC000002494259 187245113 /nfs/dbraw/zinc/24/51/13/187245113.db2.gz UMTUJJRTECGBJG-UHFFFAOYSA-N 1 0 247.382 3.558 50 0 BHAARO CC[NH+](CC)CCCOc1cc(C)cc(C)c1C ZINC000002494268 342721291 /nfs/dbraw/zinc/72/12/91/342721291.db2.gz CJQJWSHJZQKOBC-UHFFFAOYSA-N 1 0 249.398 3.723 50 0 BHAARO Cc1ccc(OCCCC[NH+]2CCCC2)cc1C ZINC000002494273 187926871 /nfs/dbraw/zinc/92/68/71/187926871.db2.gz CILPRZCQDSLDBS-UHFFFAOYSA-N 1 0 247.382 3.558 50 0 BHAARO CC[NH+](CC)CCCCOc1ccc(C)cc1C ZINC000002494411 383966806 /nfs/dbraw/zinc/96/68/06/383966806.db2.gz NSSUOMPVHDMIHF-UHFFFAOYSA-N 1 0 249.398 3.804 50 0 BHAARO CC[NH+](CC)CCCCOc1ccc(C)c(C)c1 ZINC000002494461 343270877 /nfs/dbraw/zinc/27/08/77/343270877.db2.gz DPMLMBNTBZDVSC-UHFFFAOYSA-N 1 0 249.398 3.804 50 0 BHAARO CC(C)=CCCC(C)=C=CC(C)(C)[C@H]1[NH2+]CCO1 ZINC000002496317 343270906 /nfs/dbraw/zinc/27/09/06/343270906.db2.gz LROQSEFFFMGVQF-POGJTHQKSA-N 1 0 249.398 3.806 50 0 BHAARO CC(C)=CCCC(C)=C=CC(C)(C)[C@@H]1[NH2+]CCO1 ZINC000002496319 343270775 /nfs/dbraw/zinc/27/07/75/343270775.db2.gz LROQSEFFFMGVQF-NZDRZINCSA-N 1 0 249.398 3.806 50 0 BHAARO CC[NH+](CC)CCCCCOc1ccccc1C ZINC000002496715 342721260 /nfs/dbraw/zinc/72/12/60/342721260.db2.gz IPTVSYDKZYAXAR-UHFFFAOYSA-N 1 0 249.398 3.886 50 0 BHAARO c1ccc(C(c2ccccc2)=C2CC[NH2+]CC2)cc1 ZINC000002507532 183388057 /nfs/dbraw/zinc/38/80/57/183388057.db2.gz UNPKOFGAQOEDMF-UHFFFAOYSA-N 1 0 249.357 3.872 50 0 BHAARO c1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CCc2ccccc21 ZINC000002510337 383968059 /nfs/dbraw/zinc/96/80/59/383968059.db2.gz QWQGGLGOFRUHPH-HDICACEKSA-N 1 0 249.357 3.951 50 0 BHAARO CC(C)C[C@H]([NH3+])c1ccccc1N1CCCCC1 ZINC000002512947 132314830 /nfs/dbraw/zinc/31/48/30/132314830.db2.gz CARYLRSDNWJCJV-HNNXBMFYSA-N 1 0 246.398 3.723 50 0 in-vitro BHAARO Clc1ccc(CC2CC[NH2+]CC2)cc1Cl ZINC000002513151 180579182 /nfs/dbraw/zinc/57/91/82/180579182.db2.gz JROWTKYJKHIRGD-UHFFFAOYSA-N 1 0 244.165 3.536 50 0 BHAARO [NH3+]Cc1ccc(Oc2ccccc2Cl)cc1 ZINC000002513167 383970071 /nfs/dbraw/zinc/97/00/71/383970071.db2.gz LCYFTPJABNHFCH-UHFFFAOYSA-N 1 0 233.698 3.591 50 0 BHAARO C/C(c1[nH]cc(C)c1C)=C1/[NH+]=CC(C)=C1C ZINC000002519574 168080914 /nfs/dbraw/zinc/08/09/14/168080914.db2.gz TUWHDOMVDQKQEP-OWBHPGMISA-N 1 0 214.312 3.783 50 0 BHAARO Cc1cc(C)[n+](-c2cccc(C)c2C)c(C)c1 ZINC000002519821 388834923 /nfs/dbraw/zinc/83/49/23/388834923.db2.gz TYWIRMONXBBCJP-UHFFFAOYSA-N 1 0 226.343 3.505 50 0 BHAARO Cc1ccc(-[n+]2c(C)cc(C)cc2C)c(C)c1 ZINC000002519822 178316232 /nfs/dbraw/zinc/31/62/32/178316232.db2.gz JMYFZIQNXJWGOZ-UHFFFAOYSA-N 1 0 226.343 3.505 50 0 BHAARO Cc1ccc(C)c(-[n+]2c(C)cc(C)cc2C)c1 ZINC000002519823 388835501 /nfs/dbraw/zinc/83/55/01/388835501.db2.gz XTZZNTUYWVLCCE-UHFFFAOYSA-N 1 0 226.343 3.505 50 0 BHAARO Clc1ccc([C@H]2CCCC[NH2+]2)c(Cl)c1 ZINC000002534020 342723164 /nfs/dbraw/zinc/72/31/64/342723164.db2.gz YHDPNUBWYAFEEQ-LLVKDONJSA-N 1 0 230.138 3.808 50 0 BHAARO c1c[n+](C2CCCCC2)cn1C1CCCCC1 ZINC000002540593 183322786 /nfs/dbraw/zinc/32/27/86/183322786.db2.gz OTZSBKIHBGXKOY-UHFFFAOYSA-N 1 0 233.379 3.786 50 0 BHAARO COc1cc2ccccc2cc1[C@H]1CCCC[NH2+]1 ZINC000002545043 175027411 /nfs/dbraw/zinc/02/74/11/175027411.db2.gz PTGITDOOISCMOK-OAHLLOKOSA-N 1 0 241.334 3.663 50 0 BHAARO c1ccc(C2=[NH+]CCc3c4ccccc4[nH]c32)cc1 ZINC000002561770 183388695 /nfs/dbraw/zinc/38/86/95/183388695.db2.gz LDMKQGDSXJEJHC-UHFFFAOYSA-N 1 0 246.313 3.561 50 0 BHAARO c1ccc(C(c2ccccc2)[C@H]2CCC[NH2+]2)cc1 ZINC000002569919 183387709 /nfs/dbraw/zinc/38/77/09/183387709.db2.gz OXOBKZZXZVFOBB-MRXNPFEDSA-N 1 0 237.346 3.571 50 0 BHAARO CC(C)(C)c1ccc(C[NH2+]Cc2ccco2)cc1 ZINC000002574789 187245925 /nfs/dbraw/zinc/24/59/25/187245925.db2.gz YDZHFZGKDAAJJE-UHFFFAOYSA-N 1 0 243.350 3.867 50 0 BHAARO COc1ccccc1C[NH2+][C@H](C)c1ccccc1 ZINC000002575945 175330914 /nfs/dbraw/zinc/33/09/14/175330914.db2.gz LQYLVEYRISLFEZ-CYBMUJFWSA-N 1 0 241.334 3.546 50 0 BHAARO [NH3+]Cc1cccc(Oc2ccc(Cl)cc2)c1 ZINC000002576556 188100801 /nfs/dbraw/zinc/10/08/01/188100801.db2.gz OARRDZAFQFAGKN-UHFFFAOYSA-N 1 0 233.698 3.591 50 0 BHAARO [NH3+]Cc1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000002576557 383977926 /nfs/dbraw/zinc/97/79/26/383977926.db2.gz DUIRKDAXQIVVNZ-UHFFFAOYSA-N 1 0 233.698 3.591 50 0 BHAARO [NH3+]Cc1ccc(-c2ccc(Cl)cc2)s1 ZINC000002576572 383979287 /nfs/dbraw/zinc/97/92/87/383979287.db2.gz IIPNNQZFBHWKAI-UHFFFAOYSA-N 1 0 223.728 3.527 50 0 BHAARO FC(F)(F)c1ccc([C@@H]2CCCC[NH2+]2)cc1 ZINC000002577410 383978702 /nfs/dbraw/zinc/97/87/02/383978702.db2.gz BPIPNPGHOKSKPH-NSHDSACASA-N 1 0 229.245 3.520 50 0 BHAARO FC(F)(F)c1cccc([C@@H]2CCCC[NH2+]2)c1 ZINC000002577411 383978833 /nfs/dbraw/zinc/97/88/33/383978833.db2.gz LNGYJPKFIYPWIT-NSHDSACASA-N 1 0 229.245 3.520 50 0 BHAARO FC(F)(F)c1ccccc1[C@@H]1CCCC[NH2+]1 ZINC000002577412 383978412 /nfs/dbraw/zinc/97/84/12/383978412.db2.gz VCFXQOYIVFTLFP-NSHDSACASA-N 1 0 229.245 3.520 50 0 BHAARO Clc1cccc([C@@H]2CCCC[NH2+]2)c1Cl ZINC000002582623 342725677 /nfs/dbraw/zinc/72/56/77/342725677.db2.gz SVTIFKIPTUYJLE-JTQLQIEISA-N 1 0 230.138 3.808 50 0 BHAARO Clc1ccc(Cl)c([C@@H]2CCCC[NH2+]2)c1 ZINC000002582641 342725737 /nfs/dbraw/zinc/72/57/37/342725737.db2.gz YFDPMXCBDHALDH-NSHDSACASA-N 1 0 230.138 3.808 50 0 BHAARO Clc1ccc([C@@H]2CCCCC[NH2+]2)cc1 ZINC000002582655 180584281 /nfs/dbraw/zinc/58/42/81/180584281.db2.gz QVSTXCOTKAOQEW-LBPRGKRZSA-N 1 0 209.720 3.545 50 0 BHAARO Clc1cccc([C@@H]2CCCCC[NH2+]2)c1 ZINC000002582656 342725870 /nfs/dbraw/zinc/72/58/70/342725870.db2.gz DKVBGAPRKMGQCO-LBPRGKRZSA-N 1 0 209.720 3.545 50 0 BHAARO Cc1ccc(C)n1C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000002641150 371620091 /nfs/dbraw/zinc/62/00/91/371620091.db2.gz PQRFISKNOBJHHQ-UHFFFAOYSA-N 1 0 234.387 3.587 50 0 BHAARO Cc1ccc(C)n1-c1cc(C)[nH+]c2ccccc21 ZINC000002654040 177696784 /nfs/dbraw/zinc/69/67/84/177696784.db2.gz IJAKOAQVRANLSN-UHFFFAOYSA-N 1 0 236.318 3.951 50 0 BHAARO CCCC[n+]1ccccc1CCc1ccccc1 ZINC000002810098 343270694 /nfs/dbraw/zinc/27/06/94/343270694.db2.gz PYLKAXSKUPZEHV-UHFFFAOYSA-N 1 0 240.370 3.559 50 0 BHAARO COc1ccc(C[NH+]2CCCCCCC2)cc1C ZINC000002811278 175098958 /nfs/dbraw/zinc/09/89/58/175098958.db2.gz NTBLWXSXPRPBKO-UHFFFAOYSA-N 1 0 247.382 3.770 50 0 BHAARO CC[C@@H](C)c1ccccc1OCC[NH2+][C@@H](C)CC ZINC000002821944 171340465 /nfs/dbraw/zinc/34/04/65/171340465.db2.gz QYSLGTNIVKGQRX-KGLIPLIRSA-N 1 0 249.398 3.967 50 0 BHAARO CC[C@H](C)[NH2+]CCOc1ccccc1[C@@H](C)CC ZINC000002821945 171340727 /nfs/dbraw/zinc/34/07/27/171340727.db2.gz QYSLGTNIVKGQRX-KBPBESRZSA-N 1 0 249.398 3.967 50 0 BHAARO CC[C@@H](C)[NH2+]CCOc1ccccc1[C@H](C)CC ZINC000002821946 363080272 /nfs/dbraw/zinc/08/02/72/363080272.db2.gz QYSLGTNIVKGQRX-ZIAGYGMSSA-N 1 0 249.398 3.967 50 0 BHAARO CC[C@@H](C)[NH2+]CCOc1ccccc1[C@@H](C)CC ZINC000002821947 388479591 /nfs/dbraw/zinc/47/95/91/388479591.db2.gz QYSLGTNIVKGQRX-UONOGXRCSA-N 1 0 249.398 3.967 50 0 BHAARO Cc1ccc(C(C)C)c(OCCCC[NH+](C)C)c1 ZINC000002822458 178452337 /nfs/dbraw/zinc/45/23/37/178452337.db2.gz BYPOQKCKEYOOLE-UHFFFAOYSA-N 1 0 249.398 3.839 50 0 BHAARO Cc1ccc(OCCC[NH+](C)C)c(C(C)(C)C)c1 ZINC000002822547 188156518 /nfs/dbraw/zinc/15/65/18/188156518.db2.gz XPZBLDLOUQSLOF-UHFFFAOYSA-N 1 0 249.398 3.623 50 0 BHAARO CC(C)c1cccc(OCCCC[NH+](C)C)c1 ZINC000002822597 363080252 /nfs/dbraw/zinc/08/02/52/363080252.db2.gz OOAPZUSKZNTZKO-UHFFFAOYSA-N 1 0 235.371 3.531 50 0 BHAARO CC[C@@H](C)[NH2+]CCOc1ccc(C(C)C)c(C)c1 ZINC000002822907 363080574 /nfs/dbraw/zinc/08/05/74/363080574.db2.gz OYPJURPLTGCCRM-CQSZACIVSA-N 1 0 249.398 3.885 50 0 BHAARO CC[C@H](C)[NH2+]CCOc1ccc(C(C)C)c(C)c1 ZINC000002822908 171339963 /nfs/dbraw/zinc/33/99/63/171339963.db2.gz OYPJURPLTGCCRM-AWEZNQCLSA-N 1 0 249.398 3.885 50 0 BHAARO CC[C@@H](C)[NH2+]CCOc1cc(C)cc(C(C)C)c1 ZINC000002823666 170752032 /nfs/dbraw/zinc/75/20/32/170752032.db2.gz GKXFLDGFEBQJNO-CQSZACIVSA-N 1 0 249.398 3.885 50 0 BHAARO CC[C@H](C)[NH2+]CCOc1cc(C)cc(C(C)C)c1 ZINC000002823667 171340161 /nfs/dbraw/zinc/34/01/61/171340161.db2.gz GKXFLDGFEBQJNO-AWEZNQCLSA-N 1 0 249.398 3.885 50 0 BHAARO CC[C@@H](C)[NH2+]CCCCOc1cc(C)ccc1C ZINC000002823844 522227912 /nfs/dbraw/zinc/22/79/12/522227912.db2.gz MTBJAXNPFALDNI-OAHLLOKOSA-N 1 0 249.398 3.851 50 0 BHAARO CC[C@H](C)[NH2+]CCCCOc1cc(C)ccc1C ZINC000002823845 524003700 /nfs/dbraw/zinc/00/37/00/524003700.db2.gz MTBJAXNPFALDNI-HNNXBMFYSA-N 1 0 249.398 3.851 50 0 BHAARO CC[C@@H](C)c1ccccc1OCCC[NH+](C)C ZINC000002824856 388479880 /nfs/dbraw/zinc/47/98/80/388479880.db2.gz XRRHNBLBGUKSIC-CYBMUJFWSA-N 1 0 235.371 3.531 50 0 BHAARO CC[C@H](C)c1ccccc1OCCC[NH+](C)C ZINC000002824857 388479877 /nfs/dbraw/zinc/47/98/77/388479877.db2.gz XRRHNBLBGUKSIC-ZDUSSCGKSA-N 1 0 235.371 3.531 50 0 BHAARO Cc1cccc(OCCC[NH+]2CCCCCC2)c1 ZINC000002838770 179165002 /nfs/dbraw/zinc/16/50/02/179165002.db2.gz USZCTAGGFGBSBS-UHFFFAOYSA-N 1 0 247.382 3.640 50 0 BHAARO CC[NH+](CC)CCCCCOc1cccc(C)c1 ZINC000002842614 520588723 /nfs/dbraw/zinc/58/87/23/520588723.db2.gz WBFCZXOZORARPJ-UHFFFAOYSA-N 1 0 249.398 3.886 50 0 BHAARO Cc1cccc(OCCCCC[NH+]2CCCC2)c1 ZINC000002848996 524734742 /nfs/dbraw/zinc/73/47/42/524734742.db2.gz IJHWZFIYCATGFF-UHFFFAOYSA-N 1 0 247.382 3.640 50 0 BHAARO Cc1cccc(C)c1OCCC[NH+]1CCCCC1 ZINC000002880539 179046981 /nfs/dbraw/zinc/04/69/81/179046981.db2.gz UZZCGXLIGMETLJ-UHFFFAOYSA-N 1 0 247.382 3.558 50 0 BHAARO CCCCOc1ccc(C[NH+]2CCCCC2)cc1 ZINC000002893833 631948241 /nfs/dbraw/zinc/94/82/41/631948241.db2.gz IROCMWDUEJFAFI-UHFFFAOYSA-N 1 0 247.382 3.851 50 0 BHAARO Cc1ccc(C)c(OCCC[NH+]2CCCCC2)c1 ZINC000002894877 383992828 /nfs/dbraw/zinc/99/28/28/383992828.db2.gz XWNYGHYOWDJWBH-UHFFFAOYSA-N 1 0 247.382 3.558 50 0 BHAARO CC[NH+](CC)CCCCOc1cc(C)ccc1C ZINC000002895251 535503211 /nfs/dbraw/zinc/50/32/11/535503211.db2.gz ZRDXONHOWRNZKU-UHFFFAOYSA-N 1 0 249.398 3.804 50 0 BHAARO Cc1cc(C)cc(OCCC[NH+]2CCCCC2)c1 ZINC000002896197 342727789 /nfs/dbraw/zinc/72/77/89/342727789.db2.gz CHIYDGQRPYBYPA-UHFFFAOYSA-N 1 0 247.382 3.558 50 0 BHAARO Cc1cc(C)cc(OCCCC[NH+]2CCCC2)c1 ZINC000002896592 343272427 /nfs/dbraw/zinc/27/24/27/343272427.db2.gz YCYPWNGVPHGUEJ-UHFFFAOYSA-N 1 0 247.382 3.558 50 0 BHAARO CCCC[NH2+]CCCOc1c(C)cc(C)cc1C ZINC000002897954 168866471 /nfs/dbraw/zinc/86/64/71/168866471.db2.gz NOAYZDPXAWNDRM-UHFFFAOYSA-N 1 0 249.398 3.770 50 0 BHAARO CCc1ccccc1OCCCC[NH2+]C(C)(C)C ZINC000002898079 383993945 /nfs/dbraw/zinc/99/39/45/383993945.db2.gz KCOORHDYOVLCAY-UHFFFAOYSA-N 1 0 249.398 3.796 50 0 BHAARO CC(C)c1ccccc1OCCC[NH2+]C(C)(C)C ZINC000002898502 343138825 /nfs/dbraw/zinc/13/88/25/343138825.db2.gz GPNBWXYTYNABIL-UHFFFAOYSA-N 1 0 249.398 3.967 50 0 BHAARO Cc1cccc(OCCCC[NH2+]C(C)(C)C)c1C ZINC000002898655 179164226 /nfs/dbraw/zinc/16/42/26/179164226.db2.gz UIWFXHRGENQBHO-UHFFFAOYSA-N 1 0 249.398 3.851 50 0 BHAARO CCCC[NH2+]CCCCOc1ccc(C)c(C)c1 ZINC000002898725 136207963 /nfs/dbraw/zinc/20/79/63/136207963.db2.gz SCFLZFKFKXJUKQ-UHFFFAOYSA-N 1 0 249.398 3.852 50 0 BHAARO Cc1cc(C)c(OCCC[NH2+]C(C)(C)C)c(C)c1 ZINC000002899169 631954778 /nfs/dbraw/zinc/95/47/78/631954778.db2.gz RUYQTDNKQTVYCK-UHFFFAOYSA-N 1 0 249.398 3.769 50 0 BHAARO Cc1ccc(C)c(OCCCC[NH2+]C(C)(C)C)c1 ZINC000002899277 383994302 /nfs/dbraw/zinc/99/43/02/383994302.db2.gz MVFJMPWSOUWLOW-UHFFFAOYSA-N 1 0 249.398 3.851 50 0 BHAARO Cc1ccccc1OCCCC[NH2+]C(C)(C)C ZINC000002899307 179309786 /nfs/dbraw/zinc/30/97/86/179309786.db2.gz CRMFTBKHJYWHGL-UHFFFAOYSA-N 1 0 235.371 3.542 50 0 BHAARO CCCC[NH2+]CCCOc1ccccc1C(C)C ZINC000002900003 136207879 /nfs/dbraw/zinc/20/78/79/136207879.db2.gz WVJVONGHOAXOKN-UHFFFAOYSA-N 1 0 249.398 3.969 50 0 BHAARO CCCC[NH2+]CCCCOc1cccc(C)c1C ZINC000002900055 631956877 /nfs/dbraw/zinc/95/68/77/631956877.db2.gz DSSHOUHDMDIWMH-UHFFFAOYSA-N 1 0 249.398 3.852 50 0 BHAARO CCCC[NH2+]CCCCOc1ccc(C)cc1C ZINC000002900162 136207668 /nfs/dbraw/zinc/20/76/68/136207668.db2.gz BJPHRXXKVQHXMO-UHFFFAOYSA-N 1 0 249.398 3.852 50 0 BHAARO Cc1cccc(OCCCC[NH2+]C(C)(C)C)c1 ZINC000002900246 179164916 /nfs/dbraw/zinc/16/49/16/179164916.db2.gz ZWWAQWJSPCGFNH-UHFFFAOYSA-N 1 0 235.371 3.542 50 0 BHAARO CCCC[NH2+]CCCCOc1cccc(C)c1 ZINC000002900421 136207723 /nfs/dbraw/zinc/20/77/23/136207723.db2.gz RFGVPAXZBFGPNH-UHFFFAOYSA-N 1 0 235.371 3.544 50 0 BHAARO CCCC[NH2+]CCCCOc1c(C)cccc1C ZINC000002901132 136207684 /nfs/dbraw/zinc/20/76/84/136207684.db2.gz JTGPJCHHDKBXHV-UHFFFAOYSA-N 1 0 249.398 3.852 50 0 BHAARO CCCC[NH2+]CCCCCOc1cccc(C)c1 ZINC000002901313 136207979 /nfs/dbraw/zinc/20/79/79/136207979.db2.gz IRZHQGBEKLRYBF-UHFFFAOYSA-N 1 0 249.398 3.934 50 0 BHAARO CCCC[NH2+]CCCCOc1ccccc1C ZINC000002901347 136207940 /nfs/dbraw/zinc/20/79/40/136207940.db2.gz LFSGJICSTUMACU-UHFFFAOYSA-N 1 0 235.371 3.544 50 0 BHAARO Cc1ccc(OCCCC[NH2+]C(C)(C)C)c(C)c1 ZINC000002901595 342727763 /nfs/dbraw/zinc/72/77/63/342727763.db2.gz WSNAGUUXFCQFGJ-UHFFFAOYSA-N 1 0 249.398 3.851 50 0 BHAARO CCc1ccc(OCCCC[NH+]2CCCC2)cc1 ZINC000002901598 631963310 /nfs/dbraw/zinc/96/33/10/631963310.db2.gz IYLDLFRRBHSAKH-UHFFFAOYSA-N 1 0 247.382 3.504 50 0 BHAARO CCCC[NH2+]CCCCOc1ccccc1CC ZINC000002901773 383994258 /nfs/dbraw/zinc/99/42/58/383994258.db2.gz NGLFAXPIFXUWKD-UHFFFAOYSA-N 1 0 249.398 3.798 50 0 BHAARO CCCC[NH2+]CCCCCOc1ccc(C)cc1 ZINC000002902530 383992718 /nfs/dbraw/zinc/99/27/18/383992718.db2.gz HATZPGXLPDDTQQ-UHFFFAOYSA-N 1 0 249.398 3.934 50 0 BHAARO CCc1ccc(OCCCC[NH2+]C(C)(C)C)cc1 ZINC000002902546 342727774 /nfs/dbraw/zinc/72/77/74/342727774.db2.gz DOBPXCSPCKRQJQ-UHFFFAOYSA-N 1 0 249.398 3.796 50 0 BHAARO Cc1cc(C)cc(OCCCC[NH2+]C(C)(C)C)c1 ZINC000002902817 634386999 /nfs/dbraw/zinc/38/69/99/634386999.db2.gz WGVQUNMZRXYVDT-UHFFFAOYSA-N 1 0 249.398 3.851 50 0 BHAARO CCCC[NH2+]CCCCOc1ccc(C)cc1 ZINC000002902829 383993024 /nfs/dbraw/zinc/99/30/24/383993024.db2.gz QCNDCUWWUNACHM-UHFFFAOYSA-N 1 0 235.371 3.544 50 0 BHAARO CCCC[NH2+]CCCCOc1cc(C)cc(C)c1 ZINC000002903407 168866968 /nfs/dbraw/zinc/86/69/68/168866968.db2.gz STCFPFAQGURSEB-UHFFFAOYSA-N 1 0 249.398 3.852 50 0 BHAARO Cc1cccc(C)c1OCCCC[NH2+]C(C)(C)C ZINC000002903480 179047088 /nfs/dbraw/zinc/04/70/88/179047088.db2.gz KFJBQVORGQMHMD-UHFFFAOYSA-N 1 0 249.398 3.851 50 0 BHAARO CC[NH+](CC)CCCOc1c(C)cc(C)cc1C ZINC000002903552 342795769 /nfs/dbraw/zinc/79/57/69/342795769.db2.gz NFUFDDGHVACFHA-UHFFFAOYSA-N 1 0 249.398 3.723 50 0 BHAARO CCc1ccc(OCCCC[NH+](CC)CC)cc1 ZINC000002904058 383992215 /nfs/dbraw/zinc/99/22/15/383992215.db2.gz JVYQYOFDYQOEJE-UHFFFAOYSA-N 1 0 249.398 3.750 50 0 BHAARO Cc1ccc(C)c(OCCC[NH2+]C(C)(C)C)c1C ZINC000002931301 383994092 /nfs/dbraw/zinc/99/40/92/383994092.db2.gz QIFNCPVFDVJCQV-UHFFFAOYSA-N 1 0 249.398 3.769 50 0 BHAARO CC[NH+](CC)CCCOc1cccc(C(C)C)c1 ZINC000002931310 631985190 /nfs/dbraw/zinc/98/51/90/631985190.db2.gz HUBNKAOKVKKORY-UHFFFAOYSA-N 1 0 249.398 3.921 50 0 BHAARO CCCC[NH2+]CCOc1ccc2ccccc2c1 ZINC000002931438 383992956 /nfs/dbraw/zinc/99/29/56/383992956.db2.gz OYPMRPQXRMAJEY-UHFFFAOYSA-N 1 0 243.350 3.608 50 0 BHAARO CC(C)(C)[NH2+]CCOc1ccc2ccccc2c1 ZINC000002931553 342728382 /nfs/dbraw/zinc/72/83/82/342728382.db2.gz WKYZEGKWGLAQQR-UHFFFAOYSA-N 1 0 243.350 3.607 50 0 BHAARO CC(C)(C)[NH2+]CCOc1ccc(C(C)(C)C)cc1 ZINC000002931733 634385598 /nfs/dbraw/zinc/38/55/98/634385598.db2.gz XKJUSWCLEMFPKN-UHFFFAOYSA-N 1 0 249.398 3.751 50 0 BHAARO CCCC[NH2+]CCCOc1c(C)ccc(C)c1C ZINC000002931819 383993998 /nfs/dbraw/zinc/99/39/98/383993998.db2.gz HGXFTECJXMIVOR-UHFFFAOYSA-N 1 0 249.398 3.770 50 0 BHAARO CCc1ccccc1OCCCC[NH+]1CCCC1 ZINC000002932104 383992411 /nfs/dbraw/zinc/99/24/11/383992411.db2.gz IFGOXKISHLDSOC-UHFFFAOYSA-N 1 0 247.382 3.504 50 0 BHAARO CC(C)c1ccccc1OCCC[NH+]1CCCC1 ZINC000002932152 342728287 /nfs/dbraw/zinc/72/82/87/342728287.db2.gz BUXYALCOOWVWNX-UHFFFAOYSA-N 1 0 247.382 3.675 50 0 BHAARO CC(C)c1cccc(OCCC[NH2+]C(C)(C)C)c1 ZINC000002932214 342728272 /nfs/dbraw/zinc/72/82/72/342728272.db2.gz AOGILEZGQCVYCI-UHFFFAOYSA-N 1 0 249.398 3.967 50 0 BHAARO Cc1ccc(OCCCC[NH2+]C(C)(C)C)cc1C ZINC000002932229 383992923 /nfs/dbraw/zinc/99/29/23/383992923.db2.gz WNVCXOALVWJGDW-UHFFFAOYSA-N 1 0 249.398 3.851 50 0 BHAARO CCCC[NH2+]CCCOc1cccc(C(C)C)c1 ZINC000002932701 168866739 /nfs/dbraw/zinc/86/67/39/168866739.db2.gz RGRFTSCGORHYRZ-UHFFFAOYSA-N 1 0 249.398 3.969 50 0 BHAARO CC[NH+](CC)CCCOc1ccccc1C(C)C ZINC000002933285 631986574 /nfs/dbraw/zinc/98/65/74/631986574.db2.gz HPUPCSICBWPVBG-UHFFFAOYSA-N 1 0 249.398 3.921 50 0 BHAARO CC(C)c1cccc(OCC[NH2+]C(C)(C)C)c1 ZINC000002933463 343139276 /nfs/dbraw/zinc/13/92/76/343139276.db2.gz IGSKLEGWQKCLLM-UHFFFAOYSA-N 1 0 235.371 3.577 50 0 BHAARO CC1CC[NH+](CCCCOc2ccccc2)CC1 ZINC000002957054 343272781 /nfs/dbraw/zinc/27/27/81/343272781.db2.gz VECIGXYDTIFFHB-UHFFFAOYSA-N 1 0 247.382 3.578 50 0 BHAARO CCCC[NH2+][C@@H](c1ccccc1)c1ccncc1 ZINC000002981423 587825663 /nfs/dbraw/zinc/82/56/63/587825663.db2.gz FRTGFTDPOVXTHJ-INIZCTEOSA-N 1 0 240.350 3.561 50 0 BHAARO CCCC[NH2+][C@H](c1ccccc1)c1ccncc1 ZINC000002981424 587825741 /nfs/dbraw/zinc/82/57/41/587825741.db2.gz FRTGFTDPOVXTHJ-MRXNPFEDSA-N 1 0 240.350 3.561 50 0 BHAARO CCCC[NH2+]CCOc1cc(C(C)C)ccc1C ZINC000003000670 383996961 /nfs/dbraw/zinc/99/69/61/383996961.db2.gz ZTANUOHGDCRLCT-UHFFFAOYSA-N 1 0 249.398 3.887 50 0 BHAARO CCc1cccc(OCCCC[NH+]2CCCC2)c1 ZINC000003001164 171864096 /nfs/dbraw/zinc/86/40/96/171864096.db2.gz QYPZARWYPZKVGJ-UHFFFAOYSA-N 1 0 247.382 3.504 50 0 BHAARO CCc1cccc(OCCC[NH+]2CCCCC2)c1 ZINC000003001327 171864779 /nfs/dbraw/zinc/86/47/79/171864779.db2.gz LUVHOVUBYYUEBK-UHFFFAOYSA-N 1 0 247.382 3.504 50 0 BHAARO CC[C@@H](C)c1ccccc1OCC[NH2+]C(C)C ZINC000003001774 383997872 /nfs/dbraw/zinc/99/78/72/383997872.db2.gz AHPWWFGANJDJDG-CYBMUJFWSA-N 1 0 235.371 3.577 50 0 BHAARO CC[C@H](C)c1ccccc1OCC[NH2+]C(C)C ZINC000003001775 383996660 /nfs/dbraw/zinc/99/66/60/383996660.db2.gz AHPWWFGANJDJDG-ZDUSSCGKSA-N 1 0 235.371 3.577 50 0 BHAARO Cc1cc(OCCC[NH2+]C(C)C)cc(C(C)C)c1 ZINC000003002095 178210674 /nfs/dbraw/zinc/21/06/74/178210674.db2.gz YFLLPCUBMOQHBV-UHFFFAOYSA-N 1 0 249.398 3.885 50 0 BHAARO CCc1cccc(OCCCC[NH+](CC)CC)c1 ZINC000003003236 383997340 /nfs/dbraw/zinc/99/73/40/383997340.db2.gz MZZRGZQDKSSXQR-UHFFFAOYSA-N 1 0 249.398 3.750 50 0 BHAARO CCCC[NH2+]CCOc1ccc(C(C)C)c(C)c1 ZINC000003003273 383996306 /nfs/dbraw/zinc/99/63/06/383996306.db2.gz HCCIRTOZSRACCX-UHFFFAOYSA-N 1 0 249.398 3.887 50 0 BHAARO c1[nH]c2ccccc2c1C[NH2+]C1CCCCC1 ZINC000003018330 383995752 /nfs/dbraw/zinc/99/57/52/383995752.db2.gz MAMUGDCJLAKCPT-UHFFFAOYSA-N 1 0 228.339 3.590 50 0 BHAARO Cc1ccc2c(c1)c(C)cc[n+]2Cc1ccccc1 ZINC000003065376 371862678 /nfs/dbraw/zinc/86/26/78/371862678.db2.gz XGCVRMWOJYNHRT-UHFFFAOYSA-N 1 0 248.349 3.792 50 0 BHAARO C[n+]1c(-c2ccccc2)cccc1-c1ccccc1 ZINC000003091408 363350326 /nfs/dbraw/zinc/35/03/26/363350326.db2.gz QAZQOGYDGVYGHE-UHFFFAOYSA-N 1 0 246.333 3.845 50 0 BHAARO CCCC[NH2+]Cc1[nH]c2ccccc2c1Cl ZINC000003098555 385052405 /nfs/dbraw/zinc/05/24/05/385052405.db2.gz NEJIGPBJXLGERP-UHFFFAOYSA-N 1 0 236.746 3.711 50 0 BHAARO Cc1cccc(C)c1OCCCC[NH+]1CCCC1 ZINC000003106134 179046462 /nfs/dbraw/zinc/04/64/62/179046462.db2.gz SBCIQSYOSCXIPO-UHFFFAOYSA-N 1 0 247.382 3.558 50 0 BHAARO C[NH+](C)[C@H]1CC2c3ccccc3C1c1ccccc12 ZINC000003128019 363351558 /nfs/dbraw/zinc/35/15/58/363351558.db2.gz HUKGTWSKXZFLIC-ADKAHSJRSA-N 1 0 249.357 3.598 50 0 BHAARO C[NH+](C)[C@@H]1CC2c3ccccc3C1c1ccccc12 ZINC000003128020 363351336 /nfs/dbraw/zinc/35/13/36/363351336.db2.gz HUKGTWSKXZFLIC-LXPRWKDFSA-N 1 0 249.357 3.598 50 0 BHAARO CCCC[N+]1=C(C)C(C)(C)c2ccccc21 ZINC000003129838 169015990 /nfs/dbraw/zinc/01/59/90/169015990.db2.gz CTVGDMONACNWIF-UHFFFAOYSA-N 1 0 216.348 3.883 50 0 BHAARO CCCCCCOc1ccc(C(=[NH2+])N(C)C)cc1 ZINC000003159154 346668886 /nfs/dbraw/zinc/66/88/86/346668886.db2.gz ALBBFTJROLYKHN-UHFFFAOYSA-N 1 0 248.370 3.533 50 0 BHAARO CCCCCC[n+]1cccc2ccccc21 ZINC000003168171 187245835 /nfs/dbraw/zinc/24/58/35/187245835.db2.gz KFCMWHHNUDCAQF-UHFFFAOYSA-N 1 0 214.332 3.708 50 0 BHAARO c1cnc2c(c1)cccc2C[NH+]1CCCCCC1 ZINC000003181763 388368369 /nfs/dbraw/zinc/36/83/69/388368369.db2.gz UEIWPYCHEHHYLM-UHFFFAOYSA-N 1 0 240.350 3.611 50 0 BHAARO FC(F)Sc1ccc(NC2=[NH+]CCC2)cc1 ZINC000003202678 371914914 /nfs/dbraw/zinc/91/49/14/371914914.db2.gz XBQJPNQCFLDHFN-UHFFFAOYSA-N 1 0 242.294 3.606 50 0 BHAARO Cc1ccc(NC2=[NH+]CCCCC2)cc1C ZINC000003206795 371915050 /nfs/dbraw/zinc/91/50/50/371915050.db2.gz ZDUMLMVXTSPHJG-UHFFFAOYSA-N 1 0 216.328 3.688 50 0 BHAARO CC/C(=C/c1ccccc1)C[NH+]1CCCCC1 ZINC000003217845 385522740 /nfs/dbraw/zinc/52/27/40/385522740.db2.gz MYWGMOGZXWQSDF-SQFISAMPSA-N 1 0 229.367 3.966 50 0 BHAARO CC[C@@H]1CSC(Nc2ccc(Cl)cc2)=N1 ZINC000003227157 171113461 /nfs/dbraw/zinc/11/34/61/171113461.db2.gz MDPWFUVYQUIMIZ-SECBINFHSA-N 1 0 240.759 3.633 50 0 BHAARO CC[C@@H]1CSC(Nc2ccc(C)cc2C)=N1 ZINC000003228243 171114127 /nfs/dbraw/zinc/11/41/27/171114127.db2.gz NPLBMIRUAWCQIV-LLVKDONJSA-N 1 0 234.368 3.597 50 0 BHAARO CC(C)(C)CC(C)(C)[NH2+]C[C@H](O)c1ccccc1 ZINC000003312227 371951334 /nfs/dbraw/zinc/95/13/34/371951334.db2.gz GSLWWMGTKMAEIV-AWEZNQCLSA-N 1 0 249.398 3.524 50 0 BHAARO CC(C)(C)CC(C)(C)[NH2+]C[C@@H](O)c1ccccc1 ZINC000003312229 371951138 /nfs/dbraw/zinc/95/11/38/371951138.db2.gz GSLWWMGTKMAEIV-CQSZACIVSA-N 1 0 249.398 3.524 50 0 BHAARO CCCC[C@@H](CC)C[NH2+]C[C@H](O)c1ccccc1 ZINC000003312486 371953111 /nfs/dbraw/zinc/95/31/11/371953111.db2.gz RTNFRRSZMYRUJK-ZBFHGGJFSA-N 1 0 249.398 3.526 50 0 BHAARO CCCC[C@H](CC)C[NH2+]C[C@H](O)c1ccccc1 ZINC000003312488 371952677 /nfs/dbraw/zinc/95/26/77/371952677.db2.gz RTNFRRSZMYRUJK-HOCLYGCPSA-N 1 0 249.398 3.526 50 0 BHAARO CCCC[C@@H](CC)C[NH2+]C[C@@H](O)c1ccccc1 ZINC000003312489 371953178 /nfs/dbraw/zinc/95/31/78/371953178.db2.gz RTNFRRSZMYRUJK-GDBMZVCRSA-N 1 0 249.398 3.526 50 0 BHAARO CCCC[C@H](CC)C[NH2+]C[C@@H](O)c1ccccc1 ZINC000003312491 371952326 /nfs/dbraw/zinc/95/23/26/371952326.db2.gz RTNFRRSZMYRUJK-GOEBONIOSA-N 1 0 249.398 3.526 50 0 BHAARO CCCCC[NH2+]Cc1ccc(Cl)cc1 ZINC000003349133 342732654 /nfs/dbraw/zinc/73/26/54/342732654.db2.gz RYXSGPZPYZUXCN-UHFFFAOYSA-N 1 0 211.736 3.620 50 0 BHAARO CC1(C)[C@H]2CC[C@]1(C)[C@H]([NH2+]Cc1ccccc1)C2 ZINC000003637939 168010892 /nfs/dbraw/zinc/01/08/92/168010892.db2.gz RDMPEKVKUMKCOW-ZMSDIMECSA-N 1 0 243.394 3.991 50 0 BHAARO C[C@@H](CCCC(C)(C)O)[NH2+]C1CCCCCC1 ZINC000003684447 342736646 /nfs/dbraw/zinc/73/66/46/342736646.db2.gz ROHUHIWEOOVMEQ-ZDUSSCGKSA-N 1 0 241.419 3.629 50 0 BHAARO C[C@H]([NH3+])c1ccc(Cl)c(Cl)c1Cl ZINC000003705648 342737012 /nfs/dbraw/zinc/73/70/12/342737012.db2.gz UQXMKRKFGMFXPO-BYPYZUCNSA-N 1 0 224.518 3.667 50 0 BHAARO C[C@@H]([NH3+])c1ccc(Cl)c(Cl)c1Cl ZINC000003705649 384025121 /nfs/dbraw/zinc/02/51/21/384025121.db2.gz UQXMKRKFGMFXPO-SCSAIBSYSA-N 1 0 224.518 3.667 50 0 BHAARO FC(F)(F)c1ccc(Cl)c([C@H]2CCC[NH2+]2)c1 ZINC000003732410 346579862 /nfs/dbraw/zinc/57/98/62/346579862.db2.gz BYUYOLSCIFICBO-SNVBAGLBSA-N 1 0 249.663 3.783 50 0 BHAARO Clc1cccc([C@H]2CCCC[NH2+]2)c1Cl ZINC000003734595 342737064 /nfs/dbraw/zinc/73/70/64/342737064.db2.gz SVTIFKIPTUYJLE-SNVBAGLBSA-N 1 0 230.138 3.808 50 0 BHAARO COc1cc2ccccc2cc1[C@@H]1CCCC[NH2+]1 ZINC000003734630 175027580 /nfs/dbraw/zinc/02/75/80/175027580.db2.gz PTGITDOOISCMOK-HNNXBMFYSA-N 1 0 241.334 3.663 50 0 BHAARO c1ccc2c(c1)cccc2C[C@H]1CCCC[NH2+]1 ZINC000003734638 183438625 /nfs/dbraw/zinc/43/86/25/183438625.db2.gz MKNYCCHEHJVUHR-OAHLLOKOSA-N 1 0 225.335 3.524 50 0 BHAARO c1ccc2c(c1)cccc2C[C@@H]1CCCC[NH2+]1 ZINC000003734639 384025563 /nfs/dbraw/zinc/02/55/63/384025563.db2.gz MKNYCCHEHJVUHR-HNNXBMFYSA-N 1 0 225.335 3.524 50 0 BHAARO Clc1ccc([C@@H]2CCCC[NH2+]2)c(Cl)c1 ZINC000003734671 342737141 /nfs/dbraw/zinc/73/71/41/342737141.db2.gz YHDPNUBWYAFEEQ-NSHDSACASA-N 1 0 230.138 3.808 50 0 BHAARO Clc1ccc(Cl)c([C@H]2CCCC[NH2+]2)c1 ZINC000003734675 342737084 /nfs/dbraw/zinc/73/70/84/342737084.db2.gz YFDPMXCBDHALDH-LLVKDONJSA-N 1 0 230.138 3.808 50 0 BHAARO c1ccc2cc([C@H]3CCCC[NH2+]3)ccc2c1 ZINC000003734690 384025827 /nfs/dbraw/zinc/02/58/27/384025827.db2.gz KIKVKRHNBPMOMC-OAHLLOKOSA-N 1 0 211.308 3.654 50 0 BHAARO c1ccc2cc([C@@H]3CCCC[NH2+]3)ccc2c1 ZINC000003734691 384026085 /nfs/dbraw/zinc/02/60/85/384026085.db2.gz KIKVKRHNBPMOMC-HNNXBMFYSA-N 1 0 211.308 3.654 50 0 BHAARO FC(F)(F)c1cccc([C@H]2CCCC[NH2+]2)c1 ZINC000003734693 384025736 /nfs/dbraw/zinc/02/57/36/384025736.db2.gz LNGYJPKFIYPWIT-LLVKDONJSA-N 1 0 229.245 3.520 50 0 BHAARO FC(F)(F)c1ccccc1[C@H]1CCCC[NH2+]1 ZINC000003734726 384025715 /nfs/dbraw/zinc/02/57/15/384025715.db2.gz VCFXQOYIVFTLFP-LLVKDONJSA-N 1 0 229.245 3.520 50 0 BHAARO FC(F)(F)c1ccc([C@H]2CCCC[NH2+]2)cc1 ZINC000003734727 384027025 /nfs/dbraw/zinc/02/70/25/384027025.db2.gz BPIPNPGHOKSKPH-LLVKDONJSA-N 1 0 229.245 3.520 50 0 BHAARO Clc1ccc([C@H]2CCCCC[NH2+]2)cc1 ZINC000003734886 384027197 /nfs/dbraw/zinc/02/71/97/384027197.db2.gz QVSTXCOTKAOQEW-GFCCVEGCSA-N 1 0 209.720 3.545 50 0 BHAARO Clc1cccc([C@H]2CCCCC[NH2+]2)c1 ZINC000003734887 384026110 /nfs/dbraw/zinc/02/61/10/384026110.db2.gz DKVBGAPRKMGQCO-GFCCVEGCSA-N 1 0 209.720 3.545 50 0 BHAARO COc1ccc(Cl)cc1[C@H]1CCCCC[NH2+]1 ZINC000003734927 175122893 /nfs/dbraw/zinc/12/28/93/175122893.db2.gz ORNGGIPWYFRDGN-GFCCVEGCSA-N 1 0 239.746 3.553 50 0 BHAARO COc1ccc(Cl)cc1[C@@H]1CCCCC[NH2+]1 ZINC000003734928 175121600 /nfs/dbraw/zinc/12/16/00/175121600.db2.gz ORNGGIPWYFRDGN-LBPRGKRZSA-N 1 0 239.746 3.553 50 0 BHAARO CC[C@@H](c1ccccc1)[C@H]1CCCCC[NH2+]1 ZINC000003734975 170954807 /nfs/dbraw/zinc/95/48/07/170954807.db2.gz QOWDVQDTBKFJGC-LSDHHAIUSA-N 1 0 217.356 3.712 50 0 BHAARO CC[C@H](c1ccccc1)[C@H]1CCCCC[NH2+]1 ZINC000003734976 171599580 /nfs/dbraw/zinc/59/95/80/171599580.db2.gz QOWDVQDTBKFJGC-HUUCEWRRSA-N 1 0 217.356 3.712 50 0 BHAARO CC[C@@H](c1ccccc1)[C@@H]1CCCCC[NH2+]1 ZINC000003734977 384026717 /nfs/dbraw/zinc/02/67/17/384026717.db2.gz QOWDVQDTBKFJGC-GJZGRUSLSA-N 1 0 217.356 3.712 50 0 BHAARO CC[C@H](c1ccccc1)[C@@H]1CCCCC[NH2+]1 ZINC000003734978 342737358 /nfs/dbraw/zinc/73/73/58/342737358.db2.gz QOWDVQDTBKFJGC-CABCVRRESA-N 1 0 217.356 3.712 50 0 BHAARO CSc1ccccc1[C@H]1CCCCC[NH2+]1 ZINC000003734987 342737378 /nfs/dbraw/zinc/73/73/78/342737378.db2.gz NETSUPARTVOWIS-GFCCVEGCSA-N 1 0 221.369 3.613 50 0 BHAARO CSc1ccccc1[C@@H]1CCCCC[NH2+]1 ZINC000003734988 342737481 /nfs/dbraw/zinc/73/74/81/342737481.db2.gz NETSUPARTVOWIS-LBPRGKRZSA-N 1 0 221.369 3.613 50 0 BHAARO Cc1ccc([C@H]2CCCCC[NH2+]2)c(C)c1 ZINC000003735007 342737324 /nfs/dbraw/zinc/73/73/24/342737324.db2.gz JGZVFMUVNYTNOG-CQSZACIVSA-N 1 0 203.329 3.508 50 0 BHAARO Cc1ccc([C@@H]2CCCCC[NH2+]2)c(C)c1 ZINC000003735008 178870655 /nfs/dbraw/zinc/87/06/55/178870655.db2.gz JGZVFMUVNYTNOG-AWEZNQCLSA-N 1 0 203.329 3.508 50 0 BHAARO FC(F)(F)c1cccc([C@H]2CCCCC[NH2+]2)c1 ZINC000003735038 384026894 /nfs/dbraw/zinc/02/68/94/384026894.db2.gz ATNOGEMZGMOSPA-GFCCVEGCSA-N 1 0 243.272 3.910 50 0 in-vitro BHAARO FC(F)(F)c1cccc([C@@H]2CCCCC[NH2+]2)c1 ZINC000003735039 384026644 /nfs/dbraw/zinc/02/66/44/384026644.db2.gz ATNOGEMZGMOSPA-LBPRGKRZSA-N 1 0 243.272 3.910 50 0 in-vitro BHAARO FC(F)(F)c1ccccc1[C@H]1CCCCC[NH2+]1 ZINC000003735076 384024959 /nfs/dbraw/zinc/02/49/59/384024959.db2.gz ZVGXJOUPJJKPAP-GFCCVEGCSA-N 1 0 243.272 3.910 50 0 BHAARO FC(F)(F)c1ccccc1[C@@H]1CCCCC[NH2+]1 ZINC000003735077 384026495 /nfs/dbraw/zinc/02/64/95/384026495.db2.gz ZVGXJOUPJJKPAP-LBPRGKRZSA-N 1 0 243.272 3.910 50 0 BHAARO FC(F)(F)c1ccc([C@H]2CCCCC[NH2+]2)cc1 ZINC000003735078 384026593 /nfs/dbraw/zinc/02/65/93/384026593.db2.gz UPODCADCMADPLI-GFCCVEGCSA-N 1 0 243.272 3.910 50 0 BHAARO FC(F)(F)c1ccc([C@@H]2CCCCC[NH2+]2)cc1 ZINC000003735079 180893003 /nfs/dbraw/zinc/89/30/03/180893003.db2.gz UPODCADCMADPLI-LBPRGKRZSA-N 1 0 243.272 3.910 50 0 BHAARO c1ccc(C2=[NH+]C[C@@H](c3ccccc3)C2)cc1 ZINC000003846224 183389351 /nfs/dbraw/zinc/38/93/51/183389351.db2.gz LFPDKGXXRBKSMO-HNNXBMFYSA-N 1 0 221.303 3.663 50 0 BHAARO C[C@@H]1CC2(CCCC2)[NH2+]Cc2ccccc21 ZINC000003881308 176057544 /nfs/dbraw/zinc/05/75/44/176057544.db2.gz WMTBEZWEXCXXOQ-GFCCVEGCSA-N 1 0 215.340 3.596 50 0 BHAARO C[C@H]1CC2(CCCC2)[NH2+]Cc2ccccc21 ZINC000003881309 177067514 /nfs/dbraw/zinc/06/75/14/177067514.db2.gz WMTBEZWEXCXXOQ-LBPRGKRZSA-N 1 0 215.340 3.596 50 0 BHAARO C[C@@H]1CC2(CCCCC2)[NH2+]Cc2ccccc21 ZINC000003882926 176057703 /nfs/dbraw/zinc/05/77/03/176057703.db2.gz LRJMQASJCMVYKC-CYBMUJFWSA-N 1 0 229.367 3.986 50 0 BHAARO C[C@H]1CC2(CCCCC2)[NH2+]Cc2ccccc21 ZINC000003882927 177067547 /nfs/dbraw/zinc/06/75/47/177067547.db2.gz LRJMQASJCMVYKC-ZDUSSCGKSA-N 1 0 229.367 3.986 50 0 BHAARO c1csc(C[NH2+]C23CC4CC(CC(C4)C2)C3)c1 ZINC000003888039 342739080 /nfs/dbraw/zinc/73/90/80/342739080.db2.gz KECORQYFDOTJGD-UHFFFAOYSA-N 1 0 247.407 3.807 50 0 BHAARO CCn1c2ccccc2c2cc(C[NH2+]C)ccc21 ZINC000003888893 172148647 /nfs/dbraw/zinc/14/86/47/172148647.db2.gz LBPNOEAFWYTTEB-UHFFFAOYSA-N 1 0 238.334 3.534 50 0 in-vivo BHAARO CC(C)(C)[NH2+]CCC12CC3CC(CC(C3)C1)C2 ZINC000003897583 166630140 /nfs/dbraw/zinc/63/01/40/166630140.db2.gz LCAFKSHODKCIKJ-UHFFFAOYSA-N 1 0 235.415 3.981 50 0 BHAARO CC1=[NH+]C2(CCCCC2)Cc2ccccc21 ZINC000003899464 168133156 /nfs/dbraw/zinc/13/31/56/168133156.db2.gz UUAFDBIZVNOCOK-UHFFFAOYSA-N 1 0 213.324 3.755 50 0 BHAARO CC1(C)[C@@H]2CC[C@@]1(C)[C@H]([NH2+]Cc1ccccc1)C2 ZINC000003903694 168003759 /nfs/dbraw/zinc/00/37/59/168003759.db2.gz RDMPEKVKUMKCOW-INMHGKMJSA-N 1 0 243.394 3.991 50 0 BHAARO C[C@@H]1CC(C)(C)[NH2+][C@H](C)c2ccccc21 ZINC000003903700 176052848 /nfs/dbraw/zinc/05/28/48/176052848.db2.gz LXFNHTGMSGTRCK-GHMZBOCLSA-N 1 0 203.329 3.623 50 0 BHAARO CC1=C[C@H](C)[C@H](C[NH2+]Cc2ccco2)[C@@H](C)C1 ZINC000004011595 168131939 /nfs/dbraw/zinc/13/19/39/168131939.db2.gz YHIFVIYJGMJLIA-YDHLFZDLSA-N 1 0 233.355 3.608 50 0 BHAARO CCCc1[nH+]c2c(C)cc(C)cc2c(N)c1CC ZINC000004011615 169592701 /nfs/dbraw/zinc/59/27/01/169592701.db2.gz CTHMZUGHOXRSPZ-UHFFFAOYSA-N 1 0 242.366 3.949 50 0 BHAARO C1C2CC3CC1CC(NC1=[NH+]CCCCC1)(C2)C3 ZINC000004086314 411190278 /nfs/dbraw/zinc/19/02/78/411190278.db2.gz XFSBHTOAIUGPIW-UHFFFAOYSA-N 1 0 246.398 3.517 50 0 BHAARO C[N@H+](C/C=C/c1ccccc1)C1CCCCC1 ZINC000004105465 372142568 /nfs/dbraw/zinc/14/25/68/372142568.db2.gz JHSPLRHTXFMMHZ-DHZHZOJOSA-N 1 0 229.367 3.964 50 0 BHAARO CCc1ccccc1N1Cc2ccccc2C1=[NH2+] ZINC000004116973 384041893 /nfs/dbraw/zinc/04/18/93/384041893.db2.gz QKTISUUKCPDFFF-UHFFFAOYSA-N 1 0 236.318 3.595 50 0 BHAARO C[C@@H](c1ccc(C2CCCC2)cc1)[NH+](C)C ZINC000004128920 176014258 /nfs/dbraw/zinc/01/42/58/176014258.db2.gz ROPHJFHHQXQHQT-LBPRGKRZSA-N 1 0 217.356 3.967 50 0 BHAARO C[C@H](c1ccc(C2CCCC2)cc1)[NH+](C)C ZINC000004128921 177032736 /nfs/dbraw/zinc/03/27/36/177032736.db2.gz ROPHJFHHQXQHQT-GFCCVEGCSA-N 1 0 217.356 3.967 50 0 BHAARO C[NH+](C)Cc1ccccc1Sc1ccccc1 ZINC000004146757 342743148 /nfs/dbraw/zinc/74/31/48/342743148.db2.gz FUIKDYGWMKMQNR-UHFFFAOYSA-N 1 0 243.375 3.899 50 0 BHAARO Cc1ccc(C[NH2+][C@@H](C)c2ccccc2)cc1 ZINC000004167373 342743418 /nfs/dbraw/zinc/74/34/18/342743418.db2.gz UDQILIFIYSJMCU-AWEZNQCLSA-N 1 0 225.335 3.846 50 0 BHAARO Cc1ccc(C[NH2+][C@H](C)c2ccccc2)cc1 ZINC000004167377 342743368 /nfs/dbraw/zinc/74/33/68/342743368.db2.gz UDQILIFIYSJMCU-CQSZACIVSA-N 1 0 225.335 3.846 50 0 BHAARO C[C@H]([NH2+]CC1CCCCC1)c1ccccc1 ZINC000004167524 384043556 /nfs/dbraw/zinc/04/35/56/384043556.db2.gz UHABCGJJMSQRRP-ZDUSSCGKSA-N 1 0 217.356 3.918 50 0 BHAARO C[C@@H]([NH2+]CC1CCCCC1)c1ccccc1 ZINC000004167527 384041544 /nfs/dbraw/zinc/04/15/44/384041544.db2.gz UHABCGJJMSQRRP-CYBMUJFWSA-N 1 0 217.356 3.918 50 0 BHAARO Cc1ccccc1C[NH2+][C@@H](C)c1ccccc1 ZINC000004167728 179282178 /nfs/dbraw/zinc/28/21/78/179282178.db2.gz KNHPPIQCIOYHFR-AWEZNQCLSA-N 1 0 225.335 3.846 50 0 BHAARO Cc1ccccc1C[NH2+][C@H](C)c1ccccc1 ZINC000004167729 179284443 /nfs/dbraw/zinc/28/44/43/179284443.db2.gz KNHPPIQCIOYHFR-CQSZACIVSA-N 1 0 225.335 3.846 50 0 BHAARO CC[C@@H](C)c1ccc([C@H]([NH3+])C(C)C)cc1 ZINC000004207078 170805512 /nfs/dbraw/zinc/80/55/12/170805512.db2.gz DAKTWDHRBOZHKJ-BXUZGUMPSA-N 1 0 205.345 3.856 50 0 BHAARO CC[C@H](C)c1ccc([C@H]([NH3+])C(C)C)cc1 ZINC000004207079 384045587 /nfs/dbraw/zinc/04/55/87/384045587.db2.gz DAKTWDHRBOZHKJ-SMDDNHRTSA-N 1 0 205.345 3.856 50 0 BHAARO CC[C@@H](C)c1ccc([C@@H]([NH3+])C(C)C)cc1 ZINC000004207080 384044826 /nfs/dbraw/zinc/04/48/26/384044826.db2.gz DAKTWDHRBOZHKJ-RISCZKNCSA-N 1 0 205.345 3.856 50 0 BHAARO CC[C@H](C)c1ccc([C@@H]([NH3+])C(C)C)cc1 ZINC000004207082 171411854 /nfs/dbraw/zinc/41/18/54/171411854.db2.gz DAKTWDHRBOZHKJ-FZMZJTMJSA-N 1 0 205.345 3.856 50 0 BHAARO CC(C)Cc1ccc([C@H]([NH3+])C(C)C)cc1 ZINC000004207084 187246745 /nfs/dbraw/zinc/24/67/45/187246745.db2.gz HFNQOEAJQAHGHO-CQSZACIVSA-N 1 0 205.345 3.541 50 0 BHAARO CC(C)Cc1ccc([C@@H]([NH3+])C(C)C)cc1 ZINC000004207086 187246969 /nfs/dbraw/zinc/24/69/69/187246969.db2.gz HFNQOEAJQAHGHO-AWEZNQCLSA-N 1 0 205.345 3.541 50 0 BHAARO CCCCc1ccc([C@H]([NH3+])C(C)C)cc1 ZINC000004207112 169023777 /nfs/dbraw/zinc/02/37/77/169023777.db2.gz INGQSKTZWKTZJE-CQSZACIVSA-N 1 0 205.345 3.685 50 0 BHAARO CCCCc1ccc([C@@H]([NH3+])C(C)C)cc1 ZINC000004207114 169021757 /nfs/dbraw/zinc/02/17/57/169021757.db2.gz INGQSKTZWKTZJE-AWEZNQCLSA-N 1 0 205.345 3.685 50 0 BHAARO CC(C)Cc1ccc([C@H]([NH3+])c2cccs2)cc1 ZINC000004207196 188101545 /nfs/dbraw/zinc/10/15/45/188101545.db2.gz QDEDRANLVGQQSO-HNNXBMFYSA-N 1 0 245.391 3.995 50 0 BHAARO CC(C)Cc1ccc([C@@H]([NH3+])c2cccs2)cc1 ZINC000004207197 188276245 /nfs/dbraw/zinc/27/62/45/188276245.db2.gz QDEDRANLVGQQSO-OAHLLOKOSA-N 1 0 245.391 3.995 50 0 BHAARO CCCc1ccc([C@H]([NH3+])c2cccs2)cc1 ZINC000004207307 342744281 /nfs/dbraw/zinc/74/42/81/342744281.db2.gz SFXSLECHAPHLNA-AWEZNQCLSA-N 1 0 231.364 3.749 50 0 BHAARO CCCc1ccc([C@@H]([NH3+])c2cccs2)cc1 ZINC000004207309 169573447 /nfs/dbraw/zinc/57/34/47/169573447.db2.gz SFXSLECHAPHLNA-CQSZACIVSA-N 1 0 231.364 3.749 50 0 BHAARO CC(C)[C@H]([NH3+])c1ccc(C(C)(C)C)cc1 ZINC000004207396 188101540 /nfs/dbraw/zinc/10/15/40/188101540.db2.gz XESRPNFEVXAAIN-ZDUSSCGKSA-N 1 0 205.345 3.640 50 0 BHAARO CC(C)[C@@H]([NH3+])c1ccc(C(C)(C)C)cc1 ZINC000004207397 384044318 /nfs/dbraw/zinc/04/43/18/384044318.db2.gz XESRPNFEVXAAIN-CYBMUJFWSA-N 1 0 205.345 3.640 50 0 BHAARO CC(C)c1ccc([C@H]([NH3+])c2cccs2)cc1 ZINC000004218256 342744650 /nfs/dbraw/zinc/74/46/50/342744650.db2.gz MQCDKKPPNBPSIO-AWEZNQCLSA-N 1 0 231.364 3.920 50 0 BHAARO CC(C)c1ccc([C@@H]([NH3+])c2cccs2)cc1 ZINC000004218257 342744657 /nfs/dbraw/zinc/74/46/57/342744657.db2.gz MQCDKKPPNBPSIO-CQSZACIVSA-N 1 0 231.364 3.920 50 0 BHAARO [NH3+][C@@H](CCCc1ccccc1)c1ccccc1 ZINC000004218744 342744682 /nfs/dbraw/zinc/74/46/82/342744682.db2.gz NHFFVYVFZANMOU-INIZCTEOSA-N 1 0 225.335 3.709 50 0 BHAARO [NH3+][C@H](CCCc1ccccc1)c1ccccc1 ZINC000004218745 342744521 /nfs/dbraw/zinc/74/45/21/342744521.db2.gz NHFFVYVFZANMOU-MRXNPFEDSA-N 1 0 225.335 3.709 50 0 BHAARO Cc1ccc([C@@H]2CCCCC[NH2+]2)cc1C ZINC000004234885 178869790 /nfs/dbraw/zinc/86/97/90/178869790.db2.gz KSKVAARLNUFARJ-AWEZNQCLSA-N 1 0 203.329 3.508 50 0 BHAARO Cc1ccc([C@H]2CCCCC[NH2+]2)cc1C ZINC000004234886 342744817 /nfs/dbraw/zinc/74/48/17/342744817.db2.gz KSKVAARLNUFARJ-CQSZACIVSA-N 1 0 203.329 3.508 50 0 BHAARO Cc1cc(C)c(C[C@@H]2CCCCC[NH2+]2)cc1C ZINC000004234909 177863112 /nfs/dbraw/zinc/86/31/12/177863112.db2.gz VZUGKOUHTLHTRU-INIZCTEOSA-N 1 0 231.383 3.687 50 0 BHAARO Cc1cc(C)c(C[C@H]2CCCCC[NH2+]2)cc1C ZINC000004234910 384050765 /nfs/dbraw/zinc/05/07/65/384050765.db2.gz VZUGKOUHTLHTRU-MRXNPFEDSA-N 1 0 231.383 3.687 50 0 BHAARO Clc1ccccc1[C@@H]1CCCCC[NH2+]1 ZINC000004234911 342744949 /nfs/dbraw/zinc/74/49/49/342744949.db2.gz GSPTWJCZHYXZHW-LBPRGKRZSA-N 1 0 209.720 3.545 50 0 BHAARO Clc1ccccc1[C@H]1CCCCC[NH2+]1 ZINC000004234912 342744839 /nfs/dbraw/zinc/74/48/39/342744839.db2.gz GSPTWJCZHYXZHW-GFCCVEGCSA-N 1 0 209.720 3.545 50 0 BHAARO COc1cc(Cl)ccc1[C@@H]1CCCCC[NH2+]1 ZINC000004237894 342745101 /nfs/dbraw/zinc/74/51/01/342745101.db2.gz XGQUKTYNXGRVRD-LBPRGKRZSA-N 1 0 239.746 3.553 50 0 BHAARO COc1cc(Cl)ccc1[C@H]1CCCCC[NH2+]1 ZINC000004237895 342745131 /nfs/dbraw/zinc/74/51/31/342745131.db2.gz XGQUKTYNXGRVRD-GFCCVEGCSA-N 1 0 239.746 3.553 50 0 BHAARO COc1cccc([C@H](C)[NH2+]Cc2ccccc2)c1 ZINC000004240719 136208097 /nfs/dbraw/zinc/20/80/97/136208097.db2.gz AWFLVVVPPDRGCE-ZDUSSCGKSA-N 1 0 241.334 3.546 50 0 BHAARO COc1cccc([C@@H](C)[NH2+]Cc2ccccc2)c1 ZINC000004240722 175286269 /nfs/dbraw/zinc/28/62/69/175286269.db2.gz AWFLVVVPPDRGCE-CYBMUJFWSA-N 1 0 241.334 3.546 50 0 BHAARO COc1ccccc1C[NH2+][C@@H](C)c1ccccc1 ZINC000004267600 175329761 /nfs/dbraw/zinc/32/97/61/175329761.db2.gz LQYLVEYRISLFEZ-ZDUSSCGKSA-N 1 0 241.334 3.546 50 0 BHAARO CCC(CC)[NH2+]Cc1cc(C)c(OC)cc1C ZINC000004309939 168390277 /nfs/dbraw/zinc/39/02/77/168390277.db2.gz POWFDFYIMGJRRL-UHFFFAOYSA-N 1 0 235.371 3.590 50 0 BHAARO Cc1c(C)c(C)c(C[NH+]2CCCC2)c(C)c1C ZINC000004322066 342746718 /nfs/dbraw/zinc/74/67/18/342746718.db2.gz RSABFJRZWWKBQI-UHFFFAOYSA-N 1 0 231.383 3.825 50 0 BHAARO C[N@@H+]1CCC(=C(c2ccccc2)c2ccccc2)C1 ZINC000004336548 342746781 /nfs/dbraw/zinc/74/67/81/342746781.db2.gz KXHUKGKOOUFKQH-UHFFFAOYSA-N 1 0 249.357 3.824 50 0 BHAARO [NH3+][C@@H](c1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000004343197 181564847 /nfs/dbraw/zinc/56/48/47/181564847.db2.gz RKXNBHCKARUOTD-AIWVUANBSA-N 1 0 241.378 3.903 50 0 BHAARO [NH3+][C@H](c1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000004343198 181632075 /nfs/dbraw/zinc/63/20/75/181632075.db2.gz RKXNBHCKARUOTD-QUZGTJOHSA-N 1 0 241.378 3.903 50 0 BHAARO CCn1[nH+]c(C)c2ccc(OC)c3cccc1c23 ZINC000004367968 172249311 /nfs/dbraw/zinc/24/93/11/172249311.db2.gz SETXZYWAYSWZNE-UHFFFAOYSA-N 1 0 240.306 3.526 50 0 BHAARO CCC[N@@H+](Cc1c(F)cccc1F)CC1CC1 ZINC000004477518 169172799 /nfs/dbraw/zinc/17/27/99/169172799.db2.gz KGLSVSJAGOESQY-UHFFFAOYSA-N 1 0 239.309 3.587 50 0 BHAARO C[N@@H+]1Cc2ccccc2[C@H]2CCc3ccccc3[C@H]21 ZINC000004480351 173202221 /nfs/dbraw/zinc/20/22/21/173202221.db2.gz RKUPAUHKGCQAHB-QZTJIDSGSA-N 1 0 249.357 3.903 50 0 BHAARO C[C@H]1CC[C@@]2(C)C3=C(CCCC3)CC[N@@H+]2C1 ZINC000004480491 346249058 /nfs/dbraw/zinc/24/90/58/346249058.db2.gz VVFRNCRIUGQNSU-WFASDCNBSA-N 1 0 219.372 3.751 50 0 BHAARO COc1cc(Nc2ccccc2)ccc1[N+]#N ZINC000004520869 342748616 /nfs/dbraw/zinc/74/86/16/342748616.db2.gz LMVXMJUMQJUKDF-UHFFFAOYSA-N 1 0 226.259 3.923 50 0 BHAARO COc1ccc(Nc2ccc([N+]#N)cc2)cc1 ZINC000004521920 342748587 /nfs/dbraw/zinc/74/85/87/342748587.db2.gz VTTTXQSHPXIRJX-UHFFFAOYSA-N 1 0 226.259 3.923 50 0 BHAARO CC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000004546988 168184876 /nfs/dbraw/zinc/18/48/76/168184876.db2.gz NLPFSQCLMJGXJO-UHFFFAOYSA-N 1 0 223.747 3.572 50 0 BHAARO C[C@@H]1CCC[N@H+](CCSc2ccccc2)C1 ZINC000004568480 176098315 /nfs/dbraw/zinc/09/83/15/176098315.db2.gz AGSGPSNESOQVIV-CYBMUJFWSA-N 1 0 235.396 3.511 50 0 BHAARO C[C@H]1CCC[N@H+](CCSc2ccccc2)C1 ZINC000004568481 177099430 /nfs/dbraw/zinc/09/94/30/177099430.db2.gz AGSGPSNESOQVIV-ZDUSSCGKSA-N 1 0 235.396 3.511 50 0 BHAARO CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000004592558 168184086 /nfs/dbraw/zinc/18/40/86/168184086.db2.gz HSUJZDBBVSUCLW-UHFFFAOYSA-N 1 0 223.747 3.572 50 0 BHAARO Fc1cccc(Cl)c1C[NH2+]C1CCCC1 ZINC000004657433 342750073 /nfs/dbraw/zinc/75/00/73/342750073.db2.gz QQFGEXLRLNHFFJ-UHFFFAOYSA-N 1 0 227.710 3.511 50 0 BHAARO CCc1ccc(C[NH2+]Cc2ccc(F)cc2)cc1 ZINC000004657555 384072025 /nfs/dbraw/zinc/07/20/25/384072025.db2.gz SMKYAUMSQIBMSL-UHFFFAOYSA-N 1 0 243.325 3.678 50 0 BHAARO Fc1ccc(C[NH2+]Cc2cccc(Cl)c2)cc1 ZINC000004657607 342749976 /nfs/dbraw/zinc/74/99/76/342749976.db2.gz ZMEZEUUXRYRJOB-UHFFFAOYSA-N 1 0 249.716 3.769 50 0 BHAARO CCOc1ccccc1C[NH2+]C1CCCCCC1 ZINC000004657612 342749957 /nfs/dbraw/zinc/74/99/57/342749957.db2.gz AQLYRNKLKXYPKU-UHFFFAOYSA-N 1 0 247.382 3.898 50 0 BHAARO FC(F)(F)c1ccc(C[NH2+]C2CCCC2)cc1 ZINC000004681857 384144320 /nfs/dbraw/zinc/14/43/20/384144320.db2.gz JOLZGZTYGULTQA-UHFFFAOYSA-N 1 0 243.272 3.738 50 0 BHAARO COc1cccc(C[NH2+]C2CCCCCC2)c1 ZINC000004685501 175262955 /nfs/dbraw/zinc/26/29/55/175262955.db2.gz HPNXXRIVYAOFFC-UHFFFAOYSA-N 1 0 233.355 3.508 50 0 BHAARO c1ccc2c(c1)cccc2C[NH2+]C1CCCC1 ZINC000004688964 384076009 /nfs/dbraw/zinc/07/60/09/384076009.db2.gz ZWXOZVHFZNBLOU-UHFFFAOYSA-N 1 0 225.335 3.872 50 0 BHAARO CCCC[N@H+](CC)C/C=C/c1ccccc1 ZINC000004688985 343963560 /nfs/dbraw/zinc/96/35/60/343963560.db2.gz LRMRYVILDDKJIT-FMIVXFBMSA-N 1 0 217.356 3.822 50 0 BHAARO CCc1ccc(C[N@H+](C)Cc2ccccc2)cc1 ZINC000004689711 343963607 /nfs/dbraw/zinc/96/36/07/343963607.db2.gz TVQCJJHSBDDVDX-UHFFFAOYSA-N 1 0 239.362 3.881 50 0 BHAARO CCCC[N@H+](C)C[C@@H](C)c1ccccc1 ZINC000004695086 343965157 /nfs/dbraw/zinc/96/51/57/343965157.db2.gz ZTRXIZZDBKBKCK-CYBMUJFWSA-N 1 0 205.345 3.522 50 0 BHAARO CCCC[N@H+](C)C[C@H](C)c1ccccc1 ZINC000004695087 343965391 /nfs/dbraw/zinc/96/53/91/343965391.db2.gz ZTRXIZZDBKBKCK-ZDUSSCGKSA-N 1 0 205.345 3.522 50 0 BHAARO C[C@@H](C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC000004695090 343965396 /nfs/dbraw/zinc/96/53/96/343965396.db2.gz BSOHMAZEWIPCIN-HNNXBMFYSA-N 1 0 239.362 3.922 50 0 BHAARO C[C@H](C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC000004695091 343965092 /nfs/dbraw/zinc/96/50/92/343965092.db2.gz BSOHMAZEWIPCIN-OAHLLOKOSA-N 1 0 239.362 3.922 50 0 BHAARO C[C@H](C[NH+]1CCC(C)CC1)c1ccccc1 ZINC000004695092 168182325 /nfs/dbraw/zinc/18/23/25/168182325.db2.gz LDHZMVLUECRYDU-CQSZACIVSA-N 1 0 217.356 3.522 50 0 BHAARO C[C@@H](C[NH+]1CCC(C)CC1)c1ccccc1 ZINC000004695093 168183335 /nfs/dbraw/zinc/18/33/35/168183335.db2.gz LDHZMVLUECRYDU-AWEZNQCLSA-N 1 0 217.356 3.522 50 0 BHAARO CCC[NH+](Cc1ccc(C)o1)Cc1ccc(C)o1 ZINC000004699252 169176201 /nfs/dbraw/zinc/17/62/01/169176201.db2.gz QOQUJAVJUYJFCZ-UHFFFAOYSA-N 1 0 247.338 3.902 50 0 BHAARO Cc1cccc(C[NH2+]CCC2=CCCCC2)c1 ZINC000004699522 179089320 /nfs/dbraw/zinc/08/93/20/179089320.db2.gz MGZXTXVHBHMHOD-UHFFFAOYSA-N 1 0 229.367 3.975 50 0 BHAARO CC(C)c1ccc(C[NH2+]C2CCCC2)cc1 ZINC000004715394 342751055 /nfs/dbraw/zinc/75/10/55/342751055.db2.gz QDYNGLLQKCKHEO-UHFFFAOYSA-N 1 0 217.356 3.842 50 0 BHAARO CC(C)c1cc(C[NH+](C)C)cc(C(C)C)c1O ZINC000004759246 342751895 /nfs/dbraw/zinc/75/18/95/342751895.db2.gz DEYFSRVIHDNQHT-UHFFFAOYSA-N 1 0 235.371 3.701 50 0 BHAARO CC1=C[C@H](C)[C@H](C[NH+]2CCCCC2)[C@H](C)C1 ZINC000004762731 168132397 /nfs/dbraw/zinc/13/23/97/168132397.db2.gz WMARFJKDMDFXLH-ZNMIVQPWSA-N 1 0 221.388 3.711 50 0 BHAARO CC1=C[C@H](C)[C@H](C[NH+]2CCCCC2)[C@@H](C)C1 ZINC000004762734 168131789 /nfs/dbraw/zinc/13/17/89/168131789.db2.gz WMARFJKDMDFXLH-KKUMJFAQSA-N 1 0 221.388 3.711 50 0 BHAARO C[n+]1ccccc1/C=C/c1cccc2ccccc12 ZINC000004774583 188458053 /nfs/dbraw/zinc/45/80/53/188458053.db2.gz SSNJTEDYJJBNSY-OUKQBFOZSA-N 1 0 246.333 3.835 50 0 BHAARO CCC[NH2+]Cc1ccc(-c2ccc(F)cc2)o1 ZINC000004841602 169266334 /nfs/dbraw/zinc/26/63/34/169266334.db2.gz PRXCCDNWODCBKX-UHFFFAOYSA-N 1 0 233.286 3.585 50 0 BHAARO c1cc(-c2ccccc2)oc1C[NH2+]C1CCCC1 ZINC000004842301 183379702 /nfs/dbraw/zinc/37/97/02/183379702.db2.gz ZNCDKLSESLDMBO-UHFFFAOYSA-N 1 0 241.334 3.979 50 0 BHAARO CC(C)C[NH2+]Cc1ccc(-c2ccccc2F)o1 ZINC000004842806 167008185 /nfs/dbraw/zinc/00/81/85/167008185.db2.gz ZCOWLGOMEPKZBR-UHFFFAOYSA-N 1 0 247.313 3.831 50 0 BHAARO CC(C)C[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000004843156 167007945 /nfs/dbraw/zinc/00/79/45/167007945.db2.gz JYDFXHZNTHNTSS-UHFFFAOYSA-N 1 0 229.323 3.692 50 0 BHAARO CCCC[NH2+]Cc1ccc(-c2ccccc2F)o1 ZINC000004843211 136208132 /nfs/dbraw/zinc/20/81/32/136208132.db2.gz CIKOEUFAUPTGGX-UHFFFAOYSA-N 1 0 247.313 3.975 50 0 BHAARO CC[C@@H](C)c1ccccc1OCC[NH+]1CCCC1 ZINC000004845050 136208134 /nfs/dbraw/zinc/20/81/34/136208134.db2.gz GEUHIKPPWSBLAJ-CQSZACIVSA-N 1 0 247.382 3.675 50 0 BHAARO CC[C@H](C)c1ccccc1OCC[NH+]1CCCC1 ZINC000004845051 384082903 /nfs/dbraw/zinc/08/29/03/384082903.db2.gz GEUHIKPPWSBLAJ-AWEZNQCLSA-N 1 0 247.382 3.675 50 0 BHAARO Cc1ccc(C(C)C)cc1OCC[NH+]1CCCC1 ZINC000004845082 384083009 /nfs/dbraw/zinc/08/30/09/384083009.db2.gz WXJQPCRWHIIFSP-UHFFFAOYSA-N 1 0 247.382 3.593 50 0 BHAARO Cc1cc(OCC[NH+]2CCCC2)cc(C(C)C)c1 ZINC000004845293 178211499 /nfs/dbraw/zinc/21/14/99/178211499.db2.gz FWYHGNSUYCGAQM-UHFFFAOYSA-N 1 0 247.382 3.593 50 0 BHAARO CC[C@@H](C)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000004845296 384086199 /nfs/dbraw/zinc/08/61/99/384086199.db2.gz YSRMSTNSTBBILJ-CQSZACIVSA-N 1 0 247.382 3.675 50 0 BHAARO CC[C@H](C)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000004845297 384086254 /nfs/dbraw/zinc/08/62/54/384086254.db2.gz YSRMSTNSTBBILJ-AWEZNQCLSA-N 1 0 247.382 3.675 50 0 BHAARO Cc1cc(OCC[NH+]2CCCC2)ccc1C(C)C ZINC000004845318 178210582 /nfs/dbraw/zinc/21/05/82/178210582.db2.gz BCKIDIWAYYOCIW-UHFFFAOYSA-N 1 0 247.382 3.593 50 0 BHAARO CCC[NH2+]Cc1ccc(OC2CCCC2)cc1 ZINC000004857957 169266535 /nfs/dbraw/zinc/26/65/35/169266535.db2.gz NAHVXQPEJIMNFE-UHFFFAOYSA-N 1 0 233.355 3.508 50 0 BHAARO CC/C(=C\c1ccccc1)C[NH+]1CCCCC1 ZINC000004863432 167819271 /nfs/dbraw/zinc/81/92/71/167819271.db2.gz MYWGMOGZXWQSDF-FYWRMAATSA-N 1 0 229.367 3.966 50 0 BHAARO C(=C/c1ccccc1)\c1ncc2ccccn12 ZINC000004865131 188333101 /nfs/dbraw/zinc/33/31/01/188333101.db2.gz NBRHMZAOZBNEIA-MDZDMXLPSA-N 1 0 220.275 3.505 50 0 BHAARO CC[NH2+]Cc1cc(Cl)c(OCC)c(Cl)c1 ZINC000004867749 170125115 /nfs/dbraw/zinc/12/51/15/170125115.db2.gz TWRKLKUCYWGSNZ-UHFFFAOYSA-N 1 0 248.153 3.502 50 0 BHAARO C[C@@H]([NH2+]Cc1ccccc1F)c1ccccc1 ZINC000004873981 342753784 /nfs/dbraw/zinc/75/37/84/342753784.db2.gz QUVRKGZWNACTOD-GFCCVEGCSA-N 1 0 229.298 3.677 50 0 BHAARO C(=C/c1ccccc1)\C[NH2+]Cc1cccs1 ZINC000004897301 342754214 /nfs/dbraw/zinc/75/42/14/342754214.db2.gz AGHLYZYIZPGTOM-XBXARRHUSA-N 1 0 229.348 3.551 50 0 BHAARO c1csc(C[NH2+]C2C3CC4CC(C3)CC2C4)c1 ZINC000004897407 342754073 /nfs/dbraw/zinc/75/40/73/342754073.db2.gz LIQMOXDEJXZZNV-UHFFFAOYSA-N 1 0 247.407 3.662 50 0 BHAARO CC[C@@H](C)[NH2+]CCCCOc1ccc(C)cc1 ZINC000004913874 360481092 /nfs/dbraw/zinc/48/10/92/360481092.db2.gz LKRNOKZSLXTROO-CQSZACIVSA-N 1 0 235.371 3.542 50 0 BHAARO CC[C@H](C)[NH2+]CCCCOc1ccc(C)cc1 ZINC000004913876 171340707 /nfs/dbraw/zinc/34/07/07/171340707.db2.gz LKRNOKZSLXTROO-AWEZNQCLSA-N 1 0 235.371 3.542 50 0 BHAARO CC[C@@H](C)c1ccccc1OCCCC[NH+](C)C ZINC000004914181 387474072 /nfs/dbraw/zinc/47/40/72/387474072.db2.gz YLKCJJZXKHPLMA-CQSZACIVSA-N 1 0 249.398 3.921 50 0 BHAARO CC[C@H](C)c1ccccc1OCCCC[NH+](C)C ZINC000004914185 171412102 /nfs/dbraw/zinc/41/21/02/171412102.db2.gz YLKCJJZXKHPLMA-AWEZNQCLSA-N 1 0 249.398 3.921 50 0 BHAARO Cc1ccc(OCC[NH+]2CCCCCC2)c(C)c1 ZINC000004915119 711736298 /nfs/dbraw/zinc/73/62/98/711736298.db2.gz RGFYJSRWEQLPSS-UHFFFAOYSA-N 1 0 247.382 3.558 50 0 BHAARO CC(C)(C)[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000004942833 342754669 /nfs/dbraw/zinc/75/46/69/342754669.db2.gz DPLPMJOBKFRDAY-UHFFFAOYSA-N 1 0 229.323 3.835 50 0 BHAARO CC(C)(C)[NH2+]Cc1ccc(-c2ccccc2F)o1 ZINC000004942849 342754652 /nfs/dbraw/zinc/75/46/52/342754652.db2.gz NMAHHZAQJNSOJV-UHFFFAOYSA-N 1 0 247.313 3.974 50 0 BHAARO CC(C)(C)[NH2+]Cc1ccc(-c2ccc(F)cc2)o1 ZINC000004942859 342754708 /nfs/dbraw/zinc/75/47/08/342754708.db2.gz IMWAWAUHISEEEI-UHFFFAOYSA-N 1 0 247.313 3.974 50 0 BHAARO CC[NH2+]Cc1ccc(-c2cccc(Cl)c2)o1 ZINC000004942891 170126134 /nfs/dbraw/zinc/12/61/34/170126134.db2.gz UWYIIHVPIFARRT-UHFFFAOYSA-N 1 0 235.714 3.710 50 0 BHAARO C[NH2+]Cc1ccc(-c2cccc(Cl)c2C)o1 ZINC000004942922 173387917 /nfs/dbraw/zinc/38/79/17/173387917.db2.gz NDWNNOATYQGSJE-UHFFFAOYSA-N 1 0 235.714 3.628 50 0 BHAARO Clc1ccc(/C=C/C[NH2+]Cc2ccco2)cc1 ZINC000004942997 342754718 /nfs/dbraw/zinc/75/47/18/342754718.db2.gz USSVMOXOYDMUGD-HNQUOIGGSA-N 1 0 247.725 3.736 50 0 BHAARO Clc1cccc(C[NH+]2CCCCCC2)c1 ZINC000004977743 346608858 /nfs/dbraw/zinc/60/88/58/346608858.db2.gz RVGZESGWVBIWFS-UHFFFAOYSA-N 1 0 223.747 3.716 50 0 BHAARO Fc1ccc(C[NH+]2CCCCCCC2)c(F)c1 ZINC000004977768 342755369 /nfs/dbraw/zinc/75/53/69/342755369.db2.gz JFWUGIALVILKQF-UHFFFAOYSA-N 1 0 239.309 3.731 50 0 BHAARO CCc1ccccc1OCC[NH+]1CCCCCC1 ZINC000004978591 171890358 /nfs/dbraw/zinc/89/03/58/171890358.db2.gz ABHDFUINPUWVJU-UHFFFAOYSA-N 1 0 247.382 3.504 50 0 BHAARO CCC1CCC([NH2+]Cc2ccc(OC)cc2)CC1 ZINC000004986135 168521516 /nfs/dbraw/zinc/52/15/16/168521516.db2.gz UIZOCCPJRKFBDZ-UHFFFAOYSA-N 1 0 247.382 3.754 50 0 BHAARO Oc1ccc(C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)cc1 ZINC000004987237 711738429 /nfs/dbraw/zinc/73/84/29/711738429.db2.gz LPZZGKAOEYRCGK-ZBFHGGJFSA-N 1 0 245.366 3.547 50 0 BHAARO Oc1ccc(C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)cc1 ZINC000004987241 711738360 /nfs/dbraw/zinc/73/83/60/711738360.db2.gz LPZZGKAOEYRCGK-HOCLYGCPSA-N 1 0 245.366 3.547 50 0 BHAARO COc1cc(C)c(C[NH+]2CCC(C)CC2)cc1C ZINC000004988879 342755663 /nfs/dbraw/zinc/75/56/63/342755663.db2.gz VVANCGUCQPJIEQ-UHFFFAOYSA-N 1 0 247.382 3.544 50 0 BHAARO COc1ccccc1CC[NH2+]C1CCCCCC1 ZINC000004989197 175323706 /nfs/dbraw/zinc/32/37/06/175323706.db2.gz KIOARZZPWIYGPF-UHFFFAOYSA-N 1 0 247.382 3.550 50 0 BHAARO COc1ccc(C[NH2+]C2CCCCCC2)cc1 ZINC000004989305 175106149 /nfs/dbraw/zinc/10/61/49/175106149.db2.gz RZCUDZSCQFBDTK-UHFFFAOYSA-N 1 0 233.355 3.508 50 0 BHAARO COc1ccc(CC[NH2+]C2CCCCCC2)cc1 ZINC000004989402 175091381 /nfs/dbraw/zinc/09/13/81/175091381.db2.gz MEUTVEJCJODNHT-UHFFFAOYSA-N 1 0 247.382 3.550 50 0 BHAARO COc1ccc(C[NH2+]C2CCCCCCC2)cc1 ZINC000004989520 175106158 /nfs/dbraw/zinc/10/61/58/175106158.db2.gz MANYRUSSZBEUFQ-UHFFFAOYSA-N 1 0 247.382 3.898 50 0 BHAARO Cc1ccc(C)c(OCCCC[NH+]2CCCC2)c1 ZINC000004989572 524173378 /nfs/dbraw/zinc/17/33/78/524173378.db2.gz ZWWQDGQQGZTDLZ-UHFFFAOYSA-N 1 0 247.382 3.558 50 0 BHAARO CC[NH+](CC)CCOc1cccc2ccccc21 ZINC000004989728 169783407 /nfs/dbraw/zinc/78/34/07/169783407.db2.gz ALOFBRSENDRHPV-UHFFFAOYSA-N 1 0 243.350 3.560 50 0 BHAARO CC[NH+](CC)CCOc1ccc2ccccc2c1 ZINC000004989902 342755990 /nfs/dbraw/zinc/75/59/90/342755990.db2.gz BRVNNKQDIMMXLX-UHFFFAOYSA-N 1 0 243.350 3.560 50 0 BHAARO Fc1ccc(C[NH+]2CCCCCCC2)cc1F ZINC000004990134 342756042 /nfs/dbraw/zinc/75/60/42/342756042.db2.gz LBCCNMUAQRKNEU-UHFFFAOYSA-N 1 0 239.309 3.731 50 0 BHAARO Fc1ccccc1C[NH+]1CCCCCCC1 ZINC000004990204 181011486 /nfs/dbraw/zinc/01/14/86/181011486.db2.gz RGYNTNDQIXAVSJ-UHFFFAOYSA-N 1 0 221.319 3.592 50 0 BHAARO CCOc1ccc(C[NH2+]C2CCCCC2)cc1 ZINC000004992652 342756044 /nfs/dbraw/zinc/75/60/44/342756044.db2.gz LLXVUOPWPFJRCT-UHFFFAOYSA-N 1 0 233.355 3.508 50 0 BHAARO CC[C@@H]1CCCC[N@@H+]1Cc1c(F)cccc1F ZINC000004996368 342756364 /nfs/dbraw/zinc/75/63/64/342756364.db2.gz HWIGOOOMPYTLQZ-LLVKDONJSA-N 1 0 239.309 3.729 50 0 BHAARO CC[C@H]1CCCC[N@@H+]1Cc1c(F)cccc1F ZINC000004996369 342756347 /nfs/dbraw/zinc/75/63/47/342756347.db2.gz HWIGOOOMPYTLQZ-NSHDSACASA-N 1 0 239.309 3.729 50 0 BHAARO CCCC[NH2+]CCCCOc1ccc(CC)cc1 ZINC000004996490 343273974 /nfs/dbraw/zinc/27/39/74/343273974.db2.gz BSCCAXKZXXYFMV-UHFFFAOYSA-N 1 0 249.398 3.798 50 0 BHAARO CCCC[NH2+]CCCCCOc1ccccc1 ZINC000004997262 384094640 /nfs/dbraw/zinc/09/46/40/384094640.db2.gz XSFCOMWLZZPTAN-UHFFFAOYSA-N 1 0 235.371 3.625 50 0 BHAARO Cc1ccc(C[NH2+][C@@H](C)c2ccccc2)s1 ZINC000004997842 342756387 /nfs/dbraw/zinc/75/63/87/342756387.db2.gz GCBHJOWYJBACTF-LBPRGKRZSA-N 1 0 231.364 3.907 50 0 BHAARO Cc1ccc(C[NH2+][C@H](C)c2ccccc2)s1 ZINC000004997843 342756371 /nfs/dbraw/zinc/75/63/71/342756371.db2.gz GCBHJOWYJBACTF-GFCCVEGCSA-N 1 0 231.364 3.907 50 0 BHAARO CC[NH2+]Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000004998567 170126703 /nfs/dbraw/zinc/12/67/03/170126703.db2.gz YYYLGDSBLBDEIY-UHFFFAOYSA-N 1 0 235.714 3.710 50 0 BHAARO CCCC[NH2+]CCCCCOc1ccccc1C ZINC000005008266 520691274 /nfs/dbraw/zinc/69/12/74/520691274.db2.gz MHSQOJJAGIEOOP-UHFFFAOYSA-N 1 0 249.398 3.934 50 0 BHAARO Cc1ccc(OCCCC[NH2+]C2CCCC2)cc1 ZINC000005013391 342756642 /nfs/dbraw/zinc/75/66/42/342756642.db2.gz GTYSNUUEQLYULE-UHFFFAOYSA-N 1 0 247.382 3.686 50 0 BHAARO Cc1ccc(C[NH2+]C2CCCCCC2)s1 ZINC000005019399 342756490 /nfs/dbraw/zinc/75/64/90/342756490.db2.gz WJTCOLGYVBDOPC-UHFFFAOYSA-N 1 0 223.385 3.869 50 0 BHAARO c1csc(C[NH2+]C2CCCCCCC2)c1 ZINC000005019439 342756616 /nfs/dbraw/zinc/75/66/16/342756616.db2.gz AYAJDXFMBLNTBK-UHFFFAOYSA-N 1 0 223.385 3.951 50 0 BHAARO Cc1ccc(C[NH2+]Cc2ccc(C)cc2)s1 ZINC000005019538 342756892 /nfs/dbraw/zinc/75/68/92/342756892.db2.gz SLNCZFKZHDRCBO-UHFFFAOYSA-N 1 0 231.364 3.655 50 0 BHAARO Cc1ccsc1C[NH2+]C1CCCCCC1 ZINC000005019947 179547653 /nfs/dbraw/zinc/54/76/53/179547653.db2.gz QBDVVKICMPPLGW-UHFFFAOYSA-N 1 0 223.385 3.869 50 0 BHAARO CC(C)c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000005023788 634529103 /nfs/dbraw/zinc/52/91/03/634529103.db2.gz CPCTZAFMZLICTH-UHFFFAOYSA-N 1 0 247.382 3.675 50 0 BHAARO CC(C)c1cccc(OCC[NH+]2CCCCC2)c1 ZINC000005023917 342756872 /nfs/dbraw/zinc/75/68/72/342756872.db2.gz WXHPSJNJTQQIOI-UHFFFAOYSA-N 1 0 247.382 3.675 50 0 BHAARO CCc1ccccc1OCCCC[NH+](CC)CC ZINC000005024177 711740786 /nfs/dbraw/zinc/74/07/86/711740786.db2.gz BMWZEDFTEIYENF-UHFFFAOYSA-N 1 0 249.398 3.750 50 0 BHAARO CC[NH+](CC)CCOc1ccccc1C(C)C ZINC000005024191 169782799 /nfs/dbraw/zinc/78/27/99/169782799.db2.gz QYNAQVKPPHBYBT-UHFFFAOYSA-N 1 0 235.371 3.531 50 0 BHAARO CC[NH+](CC)CCOc1cccc(C(C)C)c1 ZINC000005024207 342756847 /nfs/dbraw/zinc/75/68/47/342756847.db2.gz HCNLDLXAIBSIPG-UHFFFAOYSA-N 1 0 235.371 3.531 50 0 BHAARO CC[NH+](CC)CCOc1ccc(C(C)C)cc1 ZINC000005024215 342756837 /nfs/dbraw/zinc/75/68/37/342756837.db2.gz LVMXRBDRSDIAKE-UHFFFAOYSA-N 1 0 235.371 3.531 50 0 BHAARO Cc1ccc([C@@H](C)CC[NH+]2CCC(C)CC2)o1 ZINC000005031995 635192638 /nfs/dbraw/zinc/19/26/38/635192638.db2.gz ZHLIZAIZZJBAOF-ZDUSSCGKSA-N 1 0 235.371 3.814 50 0 BHAARO Cc1ccc([C@H](C)CC[NH+]2CCC(C)CC2)o1 ZINC000005031998 635192789 /nfs/dbraw/zinc/19/27/89/635192789.db2.gz ZHLIZAIZZJBAOF-CYBMUJFWSA-N 1 0 235.371 3.814 50 0 BHAARO CC(C)Oc1ccc([C@H](CC[NH3+])C(C)C)cc1 ZINC000005048164 167301296 /nfs/dbraw/zinc/30/12/96/167301296.db2.gz UFIDCGUVRHXCHN-OAHLLOKOSA-N 1 0 235.371 3.562 50 0 BHAARO CC(C)Oc1ccc([C@@H](CC[NH3+])C(C)C)cc1 ZINC000005048167 167298329 /nfs/dbraw/zinc/29/83/29/167298329.db2.gz UFIDCGUVRHXCHN-HNNXBMFYSA-N 1 0 235.371 3.562 50 0 BHAARO CCCc1[nH+]c2c(C)ccc(C)c2c(N)c1CC ZINC000005061007 635197182 /nfs/dbraw/zinc/19/71/82/635197182.db2.gz SSTUPIPLYQHLDC-UHFFFAOYSA-N 1 0 242.366 3.949 50 0 BHAARO c1ccc(C[NH2+]Cc2cccc3ccccc32)nc1 ZINC000005069179 384097296 /nfs/dbraw/zinc/09/72/96/384097296.db2.gz XMKBUKDUNXZFHE-UHFFFAOYSA-N 1 0 248.329 3.525 50 0 BHAARO C[NH2+][C@@H](C)c1ccc(C2CCCC2)cc1 ZINC000005175434 384606935 /nfs/dbraw/zinc/60/69/35/384606935.db2.gz JOKWNDIXBFVGMY-NSHDSACASA-N 1 0 203.329 3.625 50 0 BHAARO C[NH2+][C@H](C)c1ccc(C2CCCC2)cc1 ZINC000005175436 173448745 /nfs/dbraw/zinc/44/87/45/173448745.db2.gz JOKWNDIXBFVGMY-LLVKDONJSA-N 1 0 203.329 3.625 50 0 BHAARO Cc1ccc([C@H]([NH3+])CCc2ccco2)cc1C ZINC000005184951 345822697 /nfs/dbraw/zinc/82/26/97/345822697.db2.gz BTMXXVKVRHJSKU-OAHLLOKOSA-N 1 0 229.323 3.529 50 0 BHAARO Cc1ccc([C@@H]([NH3+])CCc2ccco2)cc1C ZINC000005184958 178857912 /nfs/dbraw/zinc/85/79/12/178857912.db2.gz BTMXXVKVRHJSKU-HNNXBMFYSA-N 1 0 229.323 3.529 50 0 BHAARO [NH2+]=C(Nc1ccc(Cl)cc1)c1ccccc1 ZINC000005257066 181200550 /nfs/dbraw/zinc/20/05/50/181200550.db2.gz JKSMLLRPARGTLT-UHFFFAOYSA-N 1 0 230.698 3.777 50 0 BHAARO C(=C/c1ccccc1)\C[NH2+]CCc1ccccc1 ZINC000005266796 188277758 /nfs/dbraw/zinc/27/77/58/188277758.db2.gz AHPHNOZCAVKCDI-KPKJPENVSA-N 1 0 237.346 3.532 50 0 BHAARO CC(C)(C)[NH2+]Cc1ccc(Cl)cc1Cl ZINC000005292911 342761744 /nfs/dbraw/zinc/76/17/44/342761744.db2.gz ODRCBMAQFLJASG-UHFFFAOYSA-N 1 0 232.154 3.882 50 0 BHAARO c1ccc(-c2ccc(C[NH2+]C3CC3)cc2)cc1 ZINC000005302179 183379953 /nfs/dbraw/zinc/37/99/53/183379953.db2.gz FKMNAWDJSCJFDK-UHFFFAOYSA-N 1 0 223.319 3.606 50 0 BHAARO c1c2ccccc2[nH]c1C[NH+]1CCCCCC1 ZINC000005379666 385051922 /nfs/dbraw/zinc/05/19/22/385051922.db2.gz SYVZFHHTKGHBTL-UHFFFAOYSA-N 1 0 228.339 3.544 50 0 BHAARO CCc1ccc2c(ccc3c2CCCC3)[n+]1CC ZINC000005471506 171851099 /nfs/dbraw/zinc/85/10/99/171851099.db2.gz CMNQNSUBXPHPSJ-UHFFFAOYSA-N 1 0 240.370 3.588 50 0 BHAARO CC[C@@H]1CC[C@@]2(C)C3=C(CCC3)CC[N@@H+]2C1 ZINC000005552610 346251864 /nfs/dbraw/zinc/25/18/64/346251864.db2.gz UAXGFKYRVMZENZ-DOMZBBRYSA-N 1 0 219.372 3.751 50 0 BHAARO CCC[NH+](CCC)Cc1c[nH]c2ccccc12 ZINC000005591211 169149226 /nfs/dbraw/zinc/14/92/26/169149226.db2.gz SMNRKAJNJCCGIQ-UHFFFAOYSA-N 1 0 230.355 3.790 50 0 BHAARO CCc1ccccc1OCCC[NH+]1CCCCC1 ZINC000005658666 384124974 /nfs/dbraw/zinc/12/49/74/384124974.db2.gz FZJVPQRKPGVXNF-UHFFFAOYSA-N 1 0 247.382 3.504 50 0 BHAARO CCc1ccccc1-[n+]1c(C)cc(C)c(C)c1C ZINC000005674508 384123308 /nfs/dbraw/zinc/12/33/08/384123308.db2.gz UKDCPKMHGQLYLI-UHFFFAOYSA-N 1 0 240.370 3.759 50 0 BHAARO C[C@@H]1CCCC[N@@H+]1CCCCOc1ccccc1 ZINC000005699941 176071242 /nfs/dbraw/zinc/07/12/42/176071242.db2.gz QBEWHMLBIJHMBB-OAHLLOKOSA-N 1 0 247.382 3.720 50 0 BHAARO C[C@H]1CCCC[N@@H+]1CCCCOc1ccccc1 ZINC000005699950 177075832 /nfs/dbraw/zinc/07/58/32/177075832.db2.gz QBEWHMLBIJHMBB-HNNXBMFYSA-N 1 0 247.382 3.720 50 0 BHAARO C[NH+](C)C1c2ccccc2Sc2ccccc21 ZINC000005717977 384126708 /nfs/dbraw/zinc/12/67/08/384126708.db2.gz VGENPVCZRZABBP-UHFFFAOYSA-N 1 0 241.359 3.802 50 0 BHAARO C[C@H]([NH2+]Cc1ccccc1)C1C(C)(C)C1(C)C ZINC000005747088 342769439 /nfs/dbraw/zinc/76/94/39/342769439.db2.gz FLHQALYXFTVREL-LBPRGKRZSA-N 1 0 231.383 3.847 50 0 BHAARO C[C@@H]([NH2+]Cc1ccccc1)C1C(C)(C)C1(C)C ZINC000005748071 368371793 /nfs/dbraw/zinc/37/17/93/368371793.db2.gz FLHQALYXFTVREL-GFCCVEGCSA-N 1 0 231.383 3.847 50 0 BHAARO c1ccc(-c2ccc[n+](-c3ccccc3)c2)cc1 ZINC000005775775 491092029 /nfs/dbraw/zinc/09/20/29/491092029.db2.gz VJEGGFMDWIRYDI-UHFFFAOYSA-N 1 0 232.306 3.630 50 0 BHAARO Cc1cc(C)c(-[n+]2c(C)cc(C)cc2C)c(C)c1 ZINC000005792797 384130212 /nfs/dbraw/zinc/13/02/12/384130212.db2.gz ISWJGQQLKBLZDO-UHFFFAOYSA-N 1 0 240.370 3.814 50 0 BHAARO CC(C)(C)[NH2+]Cc1c(Cl)cccc1Cl ZINC000005817166 384132155 /nfs/dbraw/zinc/13/21/55/384132155.db2.gz BXLZNDUQPLUENJ-UHFFFAOYSA-N 1 0 232.154 3.882 50 0 BHAARO CC(C)C[NH2+]Cc1c(Cl)cccc1Cl ZINC000005817281 167008600 /nfs/dbraw/zinc/00/86/00/167008600.db2.gz YEBBJBJSCCPISP-UHFFFAOYSA-N 1 0 232.154 3.739 50 0 BHAARO CC(C)C[NH2+]Cc1ccc(Cl)cc1Cl ZINC000005817294 167008778 /nfs/dbraw/zinc/00/87/78/167008778.db2.gz UNUXXVDUZUZENQ-UHFFFAOYSA-N 1 0 232.154 3.739 50 0 BHAARO c1ccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)cc1 ZINC000005900417 487521673 /nfs/dbraw/zinc/52/16/73/487521673.db2.gz OFNIFAABSYOPSM-UHFFFAOYSA-N 1 0 241.378 3.745 50 0 BHAARO CC[C@H](C)[NH2+]Cc1c(Cl)cccc1Cl ZINC000005907907 171342318 /nfs/dbraw/zinc/34/23/18/171342318.db2.gz BWBKOXATIQAEKS-QMMMGPOBSA-N 1 0 232.154 3.882 50 0 BHAARO CC[C@H](C)[NH2+]Cc1ccc(Cl)cc1Cl ZINC000005907931 171343348 /nfs/dbraw/zinc/34/33/48/171343348.db2.gz VDOLEXDRCMJGEM-QMMMGPOBSA-N 1 0 232.154 3.882 50 0 BHAARO CCCC[NH2+]CCOc1cccc(C(C)C)c1 ZINC000005951511 384139709 /nfs/dbraw/zinc/13/97/09/384139709.db2.gz AWAVBGDHIUFZOW-UHFFFAOYSA-N 1 0 235.371 3.579 50 0 BHAARO COc1ccccc1C[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C ZINC000005954786 175330242 /nfs/dbraw/zinc/33/02/42/175330242.db2.gz AWGXUBZXRCQJNY-KCQAQPDRSA-N 1 0 247.382 3.610 50 0 BHAARO CCCCC[NH2+]Cc1cccc(Cl)c1 ZINC000005973232 384140361 /nfs/dbraw/zinc/14/03/61/384140361.db2.gz QMXXEPWURVQBKU-UHFFFAOYSA-N 1 0 211.736 3.620 50 0 BHAARO CCCC[NH2+]Cc1c(Cl)cccc1Cl ZINC000005973565 384141164 /nfs/dbraw/zinc/14/11/64/384141164.db2.gz AISCXMBITDLEON-UHFFFAOYSA-N 1 0 232.154 3.883 50 0 BHAARO CCCC[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000005973566 168868997 /nfs/dbraw/zinc/86/89/97/168868997.db2.gz VUWWKOKHXXHUED-UHFFFAOYSA-N 1 0 232.154 3.883 50 0 BHAARO CCCC[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000005973574 384141221 /nfs/dbraw/zinc/14/12/21/384141221.db2.gz YVZJVLADBODSAQ-UHFFFAOYSA-N 1 0 232.154 3.883 50 0 BHAARO CCCC[NH2+]Cc1ccc(Cl)cc1Cl ZINC000005973579 384141150 /nfs/dbraw/zinc/14/11/50/384141150.db2.gz IEZQMJPNRQQIPR-UHFFFAOYSA-N 1 0 232.154 3.883 50 0 BHAARO Fc1cccc(Cl)c1C[NH2+]C1CCCCC1 ZINC000005995937 342772269 /nfs/dbraw/zinc/77/22/69/342772269.db2.gz SJNGLJUXYIFMAH-UHFFFAOYSA-N 1 0 241.737 3.901 50 0 BHAARO Clc1ccc(C[NH2+]C2CCCCC2)cc1 ZINC000005996902 180579582 /nfs/dbraw/zinc/57/95/82/180579582.db2.gz BRAAMEFOGGQBFT-UHFFFAOYSA-N 1 0 223.747 3.762 50 0 BHAARO C[C@@H]([NH2+]C[C@H]1CC=CCC1)c1ccccc1 ZINC000006007940 188102900 /nfs/dbraw/zinc/10/29/00/188102900.db2.gz KZKNIXBYYIZQIH-KGLIPLIRSA-N 1 0 215.340 3.694 50 0 BHAARO C[C@@H]([NH2+]C[C@@H]1CC=CCC1)c1ccccc1 ZINC000006007950 384142132 /nfs/dbraw/zinc/14/21/32/384142132.db2.gz KZKNIXBYYIZQIH-ZIAGYGMSSA-N 1 0 215.340 3.694 50 0 BHAARO C[NH2+][C@@H](C)CC(c1ccccc1)c1ccccc1 ZINC000006020409 351378748 /nfs/dbraw/zinc/37/87/48/351378748.db2.gz BYWYKUFIAOQZIV-AWEZNQCLSA-N 1 0 239.362 3.817 50 0 BHAARO C[NH2+][C@H](C)CC(c1ccccc1)c1ccccc1 ZINC000006036150 351390434 /nfs/dbraw/zinc/39/04/34/351390434.db2.gz BYWYKUFIAOQZIV-CQSZACIVSA-N 1 0 239.362 3.817 50 0 BHAARO CC(C)c1ccc(C[NH2+]Cc2ccco2)cc1 ZINC000006050033 342773112 /nfs/dbraw/zinc/77/31/12/342773112.db2.gz WLLHFUVOEQRKOX-UHFFFAOYSA-N 1 0 229.323 3.693 50 0 BHAARO C[C@@H](C[NH2+]CCc1ccccc1)c1ccccc1 ZINC000006175414 175731636 /nfs/dbraw/zinc/73/16/36/175731636.db2.gz ASCNQMRWFQKXSI-HNNXBMFYSA-N 1 0 239.362 3.622 50 0 BHAARO C[C@H](C[NH2+]CCc1ccccc1)c1ccccc1 ZINC000006176187 342774602 /nfs/dbraw/zinc/77/46/02/342774602.db2.gz ASCNQMRWFQKXSI-OAHLLOKOSA-N 1 0 239.362 3.622 50 0 BHAARO C[NH2+][C@H]1c2ccsc2SCc2ccccc21 ZINC000006179260 386770866 /nfs/dbraw/zinc/77/08/66/386770866.db2.gz VZGHHWFXUKTTOM-GFCCVEGCSA-N 1 0 247.388 3.663 50 0 BHAARO C[NH2+][C@@H]1c2ccsc2SCc2ccccc21 ZINC000006179274 386771344 /nfs/dbraw/zinc/77/13/44/386771344.db2.gz VZGHHWFXUKTTOM-LBPRGKRZSA-N 1 0 247.388 3.663 50 0 BHAARO [NH3+]Cc1ccccc1Sc1ccc(Cl)cc1 ZINC000006222373 357193554 /nfs/dbraw/zinc/19/35/54/357193554.db2.gz MSYRESWYJJMUQL-UHFFFAOYSA-N 1 0 249.766 3.950 50 0 BHAARO Cc1cc2[nH]c3cc(C)c(C)cc3c2c[nH+]1 ZINC000006233371 178276907 /nfs/dbraw/zinc/27/69/07/178276907.db2.gz REKSRAPDIUFXHQ-UHFFFAOYSA-N 1 0 210.280 3.641 50 0 BHAARO c1ccc2c(c1)cccc2CNc1cc[nH+]cc1 ZINC000006244098 188102518 /nfs/dbraw/zinc/10/25/18/188102518.db2.gz GGAFOCQQBSECNE-UHFFFAOYSA-N 1 0 234.302 3.847 50 0 BHAARO CCCCCC[NH2+]Cc1ccc(C)cc1 ZINC000006308542 168668267 /nfs/dbraw/zinc/66/82/67/168668267.db2.gz LZHZILOCUSXRDL-UHFFFAOYSA-N 1 0 205.345 3.665 50 0 BHAARO CC(C)(C)[NH2+]Cc1cccc2ccccc21 ZINC000006313427 342776159 /nfs/dbraw/zinc/77/61/59/342776159.db2.gz RZZOMTPKVWOALL-UHFFFAOYSA-N 1 0 213.324 3.728 50 0 BHAARO CCc1ccc(C[NH2+]C2CCCCC2)cc1 ZINC000006356204 171805180 /nfs/dbraw/zinc/80/51/80/171805180.db2.gz ABYMEGWRUNWARE-UHFFFAOYSA-N 1 0 217.356 3.671 50 0 BHAARO CC(C)C[NH2+]Cc1cccc2ccccc21 ZINC000006375954 167010223 /nfs/dbraw/zinc/01/02/23/167010223.db2.gz TVZCPMDWMZEUDM-UHFFFAOYSA-N 1 0 213.324 3.585 50 0 BHAARO CC(C)c1ccc(C[NH2+]C(C)(C)C)cc1 ZINC000006377437 167597952 /nfs/dbraw/zinc/59/79/52/167597952.db2.gz BDFYGZDNMMKPNZ-UHFFFAOYSA-N 1 0 205.345 3.698 50 0 BHAARO CCCCCC[NH2+]C/C=C/c1ccccc1 ZINC000006427124 342777641 /nfs/dbraw/zinc/77/76/41/342777641.db2.gz UZNCNTIAWVOZPZ-FMIVXFBMSA-N 1 0 217.356 3.870 50 0 BHAARO CCCCCC[NH2+]Cc1ccc(C)s1 ZINC000006427147 342777830 /nfs/dbraw/zinc/77/78/30/342777830.db2.gz KFHLYAJTBBTXPU-UHFFFAOYSA-N 1 0 211.374 3.726 50 0 BHAARO CCCCCC[NH2+]Cc1ccccc1OCC ZINC000006427161 342777715 /nfs/dbraw/zinc/77/77/15/342777715.db2.gz IOMKFRCSUHYVOU-UHFFFAOYSA-N 1 0 235.371 3.755 50 0 BHAARO CCCCC[NH2+]Cc1ccc(CC)cc1 ZINC000006427722 342777738 /nfs/dbraw/zinc/77/77/38/342777738.db2.gz QRUNXZRDRXXXKG-UHFFFAOYSA-N 1 0 205.345 3.529 50 0 BHAARO CCC[NH2+]Cc1cc(Cl)cc(Cl)c1OC ZINC000006430866 169265256 /nfs/dbraw/zinc/26/52/56/169265256.db2.gz KRYWKIMEIJMOEG-UHFFFAOYSA-N 1 0 248.153 3.502 50 0 BHAARO C[C@H]([NH2+]C1CCCCC1)C1CCCCC1 ZINC000006487024 384155338 /nfs/dbraw/zinc/15/53/38/384155338.db2.gz WJCWAHGTIMSOBP-LBPRGKRZSA-N 1 0 209.377 3.878 50 0 BHAARO CCc1ccc(C[NH2+]CCc2ccccc2)cc1 ZINC000006543120 384158524 /nfs/dbraw/zinc/15/85/24/384158524.db2.gz AFBAOFVEMYRZEF-UHFFFAOYSA-N 1 0 239.362 3.581 50 0 BHAARO CCc1ccc(C[NH2+]Cc2ccccc2)cc1 ZINC000006543122 384158245 /nfs/dbraw/zinc/15/82/45/384158245.db2.gz IDMJOJBXQPHZFC-UHFFFAOYSA-N 1 0 225.335 3.539 50 0 BHAARO Cc1ccc(C[NH2+]C[C@@H](C)c2ccccc2)cc1 ZINC000006558907 342779359 /nfs/dbraw/zinc/77/93/59/342779359.db2.gz OJEHXPIWEJFLSN-OAHLLOKOSA-N 1 0 239.362 3.888 50 0 BHAARO Cc1ccc(C[NH2+]C[C@H](C)c2ccccc2)cc1 ZINC000006558908 342779402 /nfs/dbraw/zinc/77/94/02/342779402.db2.gz OJEHXPIWEJFLSN-HNNXBMFYSA-N 1 0 239.362 3.888 50 0 BHAARO COc1ccccc1C[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000006586422 175330015 /nfs/dbraw/zinc/33/00/15/175330015.db2.gz AWGXUBZXRCQJNY-UMVBOHGHSA-N 1 0 247.382 3.610 50 0 BHAARO COc1ccccc1C[NH2+][C@@H]1CCC[C@H](C)[C@H]1C ZINC000006587874 175330431 /nfs/dbraw/zinc/33/04/31/175330431.db2.gz AWGXUBZXRCQJNY-GZBFAFLISA-N 1 0 247.382 3.610 50 0 BHAARO CCC1CCC([NH2+]CCc2cccc(F)c2)CC1 ZINC000006634736 168520749 /nfs/dbraw/zinc/52/07/49/168520749.db2.gz JWHDKRAFKWMJNM-UHFFFAOYSA-N 1 0 249.373 3.927 50 0 BHAARO C[NH+](C)Cc1ccc(Sc2ccccc2)cc1 ZINC000006637769 342780414 /nfs/dbraw/zinc/78/04/14/342780414.db2.gz MVYADPBDGQKAEN-UHFFFAOYSA-N 1 0 243.375 3.899 50 0 BHAARO C[NH+](C)Cc1ccccc1Sc1cccs1 ZINC000006637853 360542329 /nfs/dbraw/zinc/54/23/29/360542329.db2.gz JBJBCJBHUSKIBL-UHFFFAOYSA-N 1 0 249.404 3.961 50 0 BHAARO c1cc(C[NH2+]C2CCCCCC2)cs1 ZINC000006651021 183349204 /nfs/dbraw/zinc/34/92/04/183349204.db2.gz QLYHMMKHSOCJNW-UHFFFAOYSA-N 1 0 209.358 3.561 50 0 BHAARO Cc1ccc(C[NH2+]Cc2ccc(Cl)cc2)cc1 ZINC000006651024 342780233 /nfs/dbraw/zinc/78/02/33/342780233.db2.gz DXUZJGMFDOCACO-UHFFFAOYSA-N 1 0 245.753 3.938 50 0 BHAARO C1=C(CC[NH2+]C2CCCCC2)CCCC1 ZINC000006651152 387594627 /nfs/dbraw/zinc/59/46/27/387594627.db2.gz CYABKDAJZZBUTP-UHFFFAOYSA-N 1 0 207.361 3.799 50 0 BHAARO CCCCCC[C@@H](C)[NH2+]CCCSC ZINC000006651282 360546153 /nfs/dbraw/zinc/54/61/53/360546153.db2.gz WDTVWDIICAAHBN-GFCCVEGCSA-N 1 0 217.422 3.688 50 0 BHAARO CCCCCC[C@H](C)[NH2+]CCCSC ZINC000006651286 168677789 /nfs/dbraw/zinc/67/77/89/168677789.db2.gz WDTVWDIICAAHBN-LBPRGKRZSA-N 1 0 217.422 3.688 50 0 BHAARO Clc1cccc(-c2ccc(C[NH2+]C3CC3)o2)c1 ZINC000006697451 342781145 /nfs/dbraw/zinc/78/11/45/342781145.db2.gz JGHARYMZLDHMCA-UHFFFAOYSA-N 1 0 247.725 3.852 50 0 BHAARO Clc1ccc(-c2ccc(C[NH2+]C3CC3)o2)cc1 ZINC000006697894 342781070 /nfs/dbraw/zinc/78/10/70/342781070.db2.gz RRHLPEXRBDOGQH-UHFFFAOYSA-N 1 0 247.725 3.852 50 0 BHAARO COc1cccc(C[NH2+][C@@H](C)c2ccccc2)c1 ZINC000006702419 175266340 /nfs/dbraw/zinc/26/63/40/175266340.db2.gz MEBFFEBACJWTHG-ZDUSSCGKSA-N 1 0 241.334 3.546 50 0 BHAARO COc1cccc(C[NH2+][C@H](C)c2ccccc2)c1 ZINC000006702420 175267921 /nfs/dbraw/zinc/26/79/21/175267921.db2.gz MEBFFEBACJWTHG-CYBMUJFWSA-N 1 0 241.334 3.546 50 0 BHAARO CCOc1ccccc1C[NH2+]C1CCCCC1 ZINC000006703202 342781169 /nfs/dbraw/zinc/78/11/69/342781169.db2.gz QPPRKBWGXLRDFB-UHFFFAOYSA-N 1 0 233.355 3.508 50 0 BHAARO CCOc1cccc(C[NH2+]C2CCCCC2)c1 ZINC000006703599 342781133 /nfs/dbraw/zinc/78/11/33/342781133.db2.gz QRTACVZZSZIGGY-UHFFFAOYSA-N 1 0 233.355 3.508 50 0 BHAARO CC(C)(C)CC(C)(C)[NH2+]Cc1ccco1 ZINC000006729923 342781624 /nfs/dbraw/zinc/78/16/24/342781624.db2.gz QIGYZLQUYNGHFU-UHFFFAOYSA-N 1 0 209.333 3.584 50 0 BHAARO Clc1ccccc1-c1ccc(C[NH2+]C2CC2)o1 ZINC000006742988 342781992 /nfs/dbraw/zinc/78/19/92/342781992.db2.gz GHJVUDAFIUFMGG-UHFFFAOYSA-N 1 0 247.725 3.852 50 0 BHAARO CC[NH2+]Cc1ccc(-c2ccccc2Cl)o1 ZINC000006747600 170126105 /nfs/dbraw/zinc/12/61/05/170126105.db2.gz METXPMNXLCHFES-UHFFFAOYSA-N 1 0 235.714 3.710 50 0 BHAARO C([NH2+]CC1CCCCC1)C1CCCCC1 ZINC000006760943 384167677 /nfs/dbraw/zinc/16/76/77/384167677.db2.gz JLURWBIBHMXAHE-UHFFFAOYSA-N 1 0 209.377 3.737 50 0 BHAARO C[C@H]([NH2+]C[C@H]1CC=CCC1)c1ccccc1 ZINC000006779844 384166751 /nfs/dbraw/zinc/16/67/51/384166751.db2.gz KZKNIXBYYIZQIH-KBPBESRZSA-N 1 0 215.340 3.694 50 0 BHAARO C[C@H]([NH2+]C[C@@H]1CC=CCC1)c1ccccc1 ZINC000006779845 176859613 /nfs/dbraw/zinc/85/96/13/176859613.db2.gz KZKNIXBYYIZQIH-UONOGXRCSA-N 1 0 215.340 3.694 50 0 BHAARO c1ccc(CC[NH2+]C2CCCCCC2)cc1 ZINC000006787588 183393184 /nfs/dbraw/zinc/39/31/84/183393184.db2.gz BPURAXITHIRCRC-UHFFFAOYSA-N 1 0 217.356 3.542 50 0 BHAARO COc1ccc(C[NH2+]C(C)(C)CC(C)(C)C)cc1 ZINC000006857386 175105531 /nfs/dbraw/zinc/10/55/31/175105531.db2.gz NMLOGDDIWBRUIE-UHFFFAOYSA-N 1 0 249.398 4.000 50 0 BHAARO COc1cccc(C[NH2+]C(C)(C)CC(C)(C)C)c1 ZINC000006857416 175263720 /nfs/dbraw/zinc/26/37/20/175263720.db2.gz FECXWZWDNJDORX-UHFFFAOYSA-N 1 0 249.398 4.000 50 0 BHAARO COc1ccccc1C[NH2+]C(C)(C)CC(C)(C)C ZINC000006857436 175329402 /nfs/dbraw/zinc/32/94/02/175329402.db2.gz ZGKSKCLFQQHBGV-UHFFFAOYSA-N 1 0 249.398 4.000 50 0 BHAARO Cc1ccc(C[NH2+][C@@H]2CCC[C@H](C)[C@@H]2C)s1 ZINC000006866960 361044489 /nfs/dbraw/zinc/04/44/89/361044489.db2.gz ZBDWBJYJQFXGKV-VHRBIJSZSA-N 1 0 237.412 3.971 50 0 BHAARO Cc1ccc(C[NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)s1 ZINC000006866965 361044605 /nfs/dbraw/zinc/04/46/05/361044605.db2.gz ZBDWBJYJQFXGKV-SCDSUCTJSA-N 1 0 237.412 3.971 50 0 BHAARO COc1ccc2ccccc2c1C[NH2+]C(C)(C)C ZINC000006882482 175225911 /nfs/dbraw/zinc/22/59/11/175225911.db2.gz ATRUHYAVWHTFOA-UHFFFAOYSA-N 1 0 243.350 3.737 50 0 BHAARO CC(C)(C)[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000006882535 342785712 /nfs/dbraw/zinc/78/57/12/342785712.db2.gz YYWPKCAVUSXFOI-UHFFFAOYSA-N 1 0 232.154 3.882 50 0 BHAARO CC(C)(C)[NH2+]Cc1cccc(Cl)c1Cl ZINC000006882588 342785677 /nfs/dbraw/zinc/78/56/77/342785677.db2.gz HGRFCYWINVSOPS-UHFFFAOYSA-N 1 0 232.154 3.882 50 0 BHAARO COc1ccc2ccccc2c1C[NH2+]CC(C)C ZINC000006883517 175225550 /nfs/dbraw/zinc/22/55/50/175225550.db2.gz PZCIDOKMACOGRU-UHFFFAOYSA-N 1 0 243.350 3.594 50 0 BHAARO CC(C)C[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000006883569 167008574 /nfs/dbraw/zinc/00/85/74/167008574.db2.gz RIXQXYSSUOUZBQ-UHFFFAOYSA-N 1 0 232.154 3.739 50 0 BHAARO CC(C)C[NH2+]Cc1ccc(C(C)C)cc1 ZINC000006883597 167007663 /nfs/dbraw/zinc/00/76/63/167007663.db2.gz WCSOUTBZACMSIO-UHFFFAOYSA-N 1 0 205.345 3.556 50 0 BHAARO CC(C)C[NH2+]Cc1ccc(-c2ccc(F)cc2)o1 ZINC000006883631 167008465 /nfs/dbraw/zinc/00/84/65/167008465.db2.gz SSWZGXHMRWDCRN-UHFFFAOYSA-N 1 0 247.313 3.831 50 0 BHAARO CC(C)C[NH2+]Cc1cccc(Cl)c1Cl ZINC000006883646 167009259 /nfs/dbraw/zinc/00/92/59/167009259.db2.gz QWCMUJUVGXHBMG-UHFFFAOYSA-N 1 0 232.154 3.739 50 0 BHAARO C(=C/c1ccccc1)\C[NH2+]C1CCCCC1 ZINC000006889618 187249112 /nfs/dbraw/zinc/24/91/12/187249112.db2.gz XSNNOGOAEQYKAL-JXMROGBWSA-N 1 0 215.340 3.622 50 0 BHAARO c1sc2c(c1C[NH+]1CCCCC1)CCCC2 ZINC000006895116 361097571 /nfs/dbraw/zinc/09/75/71/361097571.db2.gz MWGOKWVLZSAMBK-UHFFFAOYSA-N 1 0 235.396 3.613 50 0 BHAARO Cc1scc(C[N@@H+](C)Cc2ccccc2)c1C ZINC000006895118 361097411 /nfs/dbraw/zinc/09/74/11/361097411.db2.gz AWRZVUOEHMNEIK-UHFFFAOYSA-N 1 0 245.391 3.997 50 0 BHAARO Cc1scc(C[NH+]2CCCCCC2)c1C ZINC000006895119 180560860 /nfs/dbraw/zinc/56/08/60/180560860.db2.gz KSTRGKGLRYTLBK-UHFFFAOYSA-N 1 0 223.385 3.741 50 0 BHAARO CC[C@@H]1CC[C@]2(C)C3=C(CCC3)CC[N@@H+]2C1 ZINC000006996144 361169154 /nfs/dbraw/zinc/16/91/54/361169154.db2.gz UAXGFKYRVMZENZ-IUODEOHRSA-N 1 0 219.372 3.751 50 0 BHAARO CC[C@H]1CC[C@]2(C)C3=C(CCC3)CC[N@@H+]2C1 ZINC000006996145 344172564 /nfs/dbraw/zinc/17/25/64/344172564.db2.gz UAXGFKYRVMZENZ-SWLSCSKDSA-N 1 0 219.372 3.751 50 0 BHAARO CC[C@H]1CC[C@@]2(C)C3=C(CCC3)CC[N@@H+]2C1 ZINC000006996146 361168945 /nfs/dbraw/zinc/16/89/45/361168945.db2.gz UAXGFKYRVMZENZ-WFASDCNBSA-N 1 0 219.372 3.751 50 0 BHAARO CCC(C)(C)[NH2+]Cc1cccc(Cl)c1 ZINC000007260718 168299125 /nfs/dbraw/zinc/29/91/25/168299125.db2.gz IWXZDXBAXZLERW-UHFFFAOYSA-N 1 0 211.736 3.618 50 0 BHAARO CCCCCC[NH2+]Cc1sccc1C ZINC000007260945 342790459 /nfs/dbraw/zinc/79/04/59/342790459.db2.gz NXTPPGYBPXTEKF-UHFFFAOYSA-N 1 0 211.374 3.726 50 0 BHAARO CCCCCC[NH2+]Cc1ccc(CC)cc1 ZINC000007261033 168668883 /nfs/dbraw/zinc/66/88/83/168668883.db2.gz DROYBYKZSJQQAW-UHFFFAOYSA-N 1 0 219.372 3.919 50 0 BHAARO CCCCCC[NH2+]Cc1ccc(OCC)cc1 ZINC000007261035 342790472 /nfs/dbraw/zinc/79/04/72/342790472.db2.gz ONLGYWZMGMBWDQ-UHFFFAOYSA-N 1 0 235.371 3.755 50 0 BHAARO CCCCCC[NH2+]Cc1cccc(OCC)c1 ZINC000007261066 342790310 /nfs/dbraw/zinc/79/03/10/342790310.db2.gz PNARTPWPYMHKKU-UHFFFAOYSA-N 1 0 235.371 3.755 50 0 BHAARO CCCCCC[NH2+]Cc1ccccc1C ZINC000007261083 342790484 /nfs/dbraw/zinc/79/04/84/342790484.db2.gz UZKFFQAQVBBMGT-UHFFFAOYSA-N 1 0 205.345 3.665 50 0 BHAARO CCCCC[NH2+]Cc1cc(Cl)ccc1OC ZINC000007261258 342790349 /nfs/dbraw/zinc/79/03/49/342790349.db2.gz UQQQRFGZODATTH-UHFFFAOYSA-N 1 0 241.762 3.628 50 0 BHAARO CCCCC[NH2+]Cc1ccc(SC)cc1 ZINC000007261310 342790300 /nfs/dbraw/zinc/79/03/00/342790300.db2.gz BASMSIZKIPVMRX-UHFFFAOYSA-N 1 0 223.385 3.688 50 0 BHAARO CCCCC[NH2+]Cc1ccccc1Cl ZINC000007261352 342790689 /nfs/dbraw/zinc/79/06/89/342790689.db2.gz FKMOFPIUMDETDU-UHFFFAOYSA-N 1 0 211.736 3.620 50 0 BHAARO CCCC[NH2+]Cc1cc(Cl)ccc1OCC ZINC000007261655 384175027 /nfs/dbraw/zinc/17/50/27/384175027.db2.gz IPONIWTXRNOLLP-UHFFFAOYSA-N 1 0 241.762 3.628 50 0 BHAARO CCCC[NH2+]Cc1ccc(C(C)C)cc1 ZINC000007261694 168869686 /nfs/dbraw/zinc/86/96/86/168869686.db2.gz HGSHWUXLANNRAW-UHFFFAOYSA-N 1 0 205.345 3.700 50 0 BHAARO CCCC[NH2+]Cc1ccc(-c2ccc(F)cc2)o1 ZINC000007261713 384174905 /nfs/dbraw/zinc/17/49/05/384174905.db2.gz FFJQCMJGPWHQTN-UHFFFAOYSA-N 1 0 247.313 3.975 50 0 BHAARO CCCC[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000007261719 133446697 /nfs/dbraw/zinc/44/66/97/133446697.db2.gz BZDKQVULMJWAKL-UHFFFAOYSA-N 1 0 229.323 3.836 50 0 BHAARO CCC[NH2+]Cc1c(OCC)ccc2ccccc21 ZINC000007262291 169265452 /nfs/dbraw/zinc/26/54/52/169265452.db2.gz WWGWXQLECVOOSW-UHFFFAOYSA-N 1 0 243.350 3.738 50 0 BHAARO CCC[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC000007262381 169266660 /nfs/dbraw/zinc/26/66/60/169266660.db2.gz UQBWUSRYYLCNJG-UHFFFAOYSA-N 1 0 225.335 3.853 50 0 BHAARO CCC[NH2+]Cc1ccc(-c2ccccc2F)o1 ZINC000007262395 169266701 /nfs/dbraw/zinc/26/67/01/169266701.db2.gz RCNWYAISSBJYAB-UHFFFAOYSA-N 1 0 233.286 3.585 50 0 BHAARO COc1ccccc1C[NH2+]C1CCCCCCC1 ZINC000007523148 175329400 /nfs/dbraw/zinc/32/94/00/175329400.db2.gz DOBWEQQUTIOAGI-UHFFFAOYSA-N 1 0 247.382 3.898 50 0 BHAARO COc1cccc(C[NH2+]C2CCCCCCC2)c1 ZINC000007523445 175263502 /nfs/dbraw/zinc/26/35/02/175263502.db2.gz NEJAHYKOHADTRZ-UHFFFAOYSA-N 1 0 247.382 3.898 50 0 BHAARO CC[C@@H](C)[NH2+]Cc1ccc(C(C)C)cc1 ZINC000007524172 342791768 /nfs/dbraw/zinc/79/17/68/342791768.db2.gz DLKTXEAEOIOIMO-GFCCVEGCSA-N 1 0 205.345 3.698 50 0 BHAARO CC[C@H](C)[NH2+]Cc1ccc(C(C)C)cc1 ZINC000007524176 171343157 /nfs/dbraw/zinc/34/31/57/171343157.db2.gz DLKTXEAEOIOIMO-LBPRGKRZSA-N 1 0 205.345 3.698 50 0 BHAARO CC[C@@H](C)[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000007524216 384182006 /nfs/dbraw/zinc/18/20/06/384182006.db2.gz FKAFBRPECGWOHV-GFCCVEGCSA-N 1 0 229.323 3.835 50 0 BHAARO CC[C@H](C)[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000007524219 171343404 /nfs/dbraw/zinc/34/34/04/171343404.db2.gz FKAFBRPECGWOHV-LBPRGKRZSA-N 1 0 229.323 3.835 50 0 BHAARO CC[C@@H](C)[NH2+]Cc1ccc(-c2ccccc2F)o1 ZINC000007524312 342791688 /nfs/dbraw/zinc/79/16/88/342791688.db2.gz ZOJRENBCXJJNFE-LLVKDONJSA-N 1 0 247.313 3.974 50 0 BHAARO CC[C@H](C)[NH2+]Cc1ccc(-c2ccccc2F)o1 ZINC000007524313 384182793 /nfs/dbraw/zinc/18/27/93/384182793.db2.gz ZOJRENBCXJJNFE-NSHDSACASA-N 1 0 247.313 3.974 50 0 BHAARO CC[C@@H](C)[NH2+]Cc1ccc(-c2ccc(F)cc2)o1 ZINC000007524388 187249039 /nfs/dbraw/zinc/24/90/39/187249039.db2.gz DIRYSVUCKWWNQP-LLVKDONJSA-N 1 0 247.313 3.974 50 0 BHAARO CC[C@H](C)[NH2+]Cc1ccc(-c2ccc(F)cc2)o1 ZINC000007524391 171342816 /nfs/dbraw/zinc/34/28/16/171342816.db2.gz DIRYSVUCKWWNQP-NSHDSACASA-N 1 0 247.313 3.974 50 0 BHAARO c1cc(C[NH2+]C23CC4CC(CC(C4)C2)C3)cs1 ZINC000007524962 183348005 /nfs/dbraw/zinc/34/80/05/183348005.db2.gz OVXNJOSBLSVPCE-UHFFFAOYSA-N 1 0 247.407 3.807 50 0 BHAARO c1cc(C[NH2+]C2C3CC4CC(C3)CC2C4)cs1 ZINC000007524964 183348298 /nfs/dbraw/zinc/34/82/98/183348298.db2.gz HTFPGZKZRZVFKR-UHFFFAOYSA-N 1 0 247.407 3.662 50 0 BHAARO C[C@H]([NH2+]Cc1ccsc1)c1ccccc1 ZINC000007524975 385213130 /nfs/dbraw/zinc/21/31/30/385213130.db2.gz AMZUYNQLWMRRLM-NSHDSACASA-N 1 0 217.337 3.599 50 0 BHAARO C[C@@H]([NH2+]Cc1ccsc1)c1ccccc1 ZINC000007524977 346661736 /nfs/dbraw/zinc/66/17/36/346661736.db2.gz AMZUYNQLWMRRLM-LLVKDONJSA-N 1 0 217.337 3.599 50 0 BHAARO Clc1ccccc1C[NH2+]Cc1ccsc1 ZINC000007524980 346661829 /nfs/dbraw/zinc/66/18/29/346661829.db2.gz JAPVDERWSLZYHK-UHFFFAOYSA-N 1 0 237.755 3.691 50 0 BHAARO c1cc(C[NH2+]C2CCCCCCC2)cs1 ZINC000007525069 183349161 /nfs/dbraw/zinc/34/91/61/183349161.db2.gz OYNRXZAYCJEEPA-UHFFFAOYSA-N 1 0 223.385 3.951 50 0 BHAARO Cc1ccsc1C[NH2+]Cc1ccc(C)cc1 ZINC000007537884 342792146 /nfs/dbraw/zinc/79/21/46/342792146.db2.gz YUJSOBDCBDORPK-UHFFFAOYSA-N 1 0 231.364 3.655 50 0 BHAARO CCc1ccc(C[NH2+]Cc2ccc(C)cc2)cc1 ZINC000007537999 384182850 /nfs/dbraw/zinc/18/28/50/384182850.db2.gz LJGVSALZTPEERU-UHFFFAOYSA-N 1 0 239.362 3.847 50 0 BHAARO Cc1ccc(C[NH2+]Cc2cccc(Cl)c2)cc1 ZINC000007538167 342792035 /nfs/dbraw/zinc/79/20/35/342792035.db2.gz PMNZMWMQDHKMHM-UHFFFAOYSA-N 1 0 245.753 3.938 50 0 BHAARO Cc1ccc(C[NH2+]Cc2ccccc2C)cc1 ZINC000007538191 342792092 /nfs/dbraw/zinc/79/20/92/342792092.db2.gz KOYOYJLNPBQEJW-UHFFFAOYSA-N 1 0 225.335 3.593 50 0 BHAARO Cc1ccccc1C[NH2+]Cc1ccc(Cl)cc1 ZINC000007783416 179283265 /nfs/dbraw/zinc/28/32/65/179283265.db2.gz VCNMLCVESFKMHB-UHFFFAOYSA-N 1 0 245.753 3.938 50 0 BHAARO Cc1ccc(SCC[C@@H]2CCCC[NH2+]2)cc1 ZINC000007951904 384189682 /nfs/dbraw/zinc/18/96/82/384189682.db2.gz AYLKNALSMUVGAE-ZDUSSCGKSA-N 1 0 235.396 3.619 50 0 BHAARO Cc1ccc(SCC[C@H]2CCCC[NH2+]2)cc1 ZINC000007951907 384189799 /nfs/dbraw/zinc/18/97/99/384189799.db2.gz AYLKNALSMUVGAE-CYBMUJFWSA-N 1 0 235.396 3.619 50 0 BHAARO CC[NH2+]Cc1cc(Cl)cc(Cl)c1OCC ZINC000008227202 170125419 /nfs/dbraw/zinc/12/54/19/170125419.db2.gz ODMAILZVNLHBRM-UHFFFAOYSA-N 1 0 248.153 3.502 50 0 BHAARO Cc1ccc(C[NH2+][C@@H](C)CCc2ccccc2)o1 ZINC000008320285 178619792 /nfs/dbraw/zinc/61/97/92/178619792.db2.gz ZLWBDEVCXCQXJH-ZDUSSCGKSA-N 1 0 243.350 3.699 50 0 BHAARO Cc1ccc(C[NH2+][C@H](C)CCc2ccccc2)o1 ZINC000008320286 342797592 /nfs/dbraw/zinc/79/75/92/342797592.db2.gz ZLWBDEVCXCQXJH-CYBMUJFWSA-N 1 0 243.350 3.699 50 0 BHAARO CCOc1ccc(C[NH2+]C2CCCCCC2)cc1 ZINC000008324065 342797699 /nfs/dbraw/zinc/79/76/99/342797699.db2.gz KDWCATUBGVCGOW-UHFFFAOYSA-N 1 0 247.382 3.898 50 0 BHAARO CCOc1cccc(C[NH2+]C2CCCCCC2)c1 ZINC000008325196 342797849 /nfs/dbraw/zinc/79/78/49/342797849.db2.gz DTNPXNBNWABGMT-UHFFFAOYSA-N 1 0 247.382 3.898 50 0 BHAARO CC[C@@H](C)[NH2+]Cc1c(OC)ccc2ccccc21 ZINC000008325862 342797843 /nfs/dbraw/zinc/79/78/43/342797843.db2.gz LKEPFJPWDZRPGQ-GFCCVEGCSA-N 1 0 243.350 3.737 50 0 BHAARO CCOc1ccc(Cl)cc1C[NH2+][C@H](C)CC ZINC000008325924 342797859 /nfs/dbraw/zinc/79/78/59/342797859.db2.gz PQBOLVXZGSKTBF-SNVBAGLBSA-N 1 0 241.762 3.627 50 0 BHAARO CC[C@@H](C)[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000008325947 384199835 /nfs/dbraw/zinc/19/98/35/384199835.db2.gz FKDRVKLPZWVYQK-MRVPVSSYSA-N 1 0 232.154 3.882 50 0 BHAARO CC[C@@H](C)[NH2+]Cc1cccc(Cl)c1Cl ZINC000008326022 342797981 /nfs/dbraw/zinc/79/79/81/342797981.db2.gz NCIFEHQOISOQBA-MRVPVSSYSA-N 1 0 232.154 3.882 50 0 BHAARO CC[C@@H](C)[NH2+]Cc1cccc2ccccc21 ZINC000008326035 170754124 /nfs/dbraw/zinc/75/41/24/170754124.db2.gz PXXGUEHHAMQZAT-GFCCVEGCSA-N 1 0 213.324 3.728 50 0 BHAARO CC[C@H](C)[NH2+]Cc1c(OC)ccc2ccccc21 ZINC000008326615 171341998 /nfs/dbraw/zinc/34/19/98/171341998.db2.gz LKEPFJPWDZRPGQ-LBPRGKRZSA-N 1 0 243.350 3.737 50 0 BHAARO CCOc1ccc(Cl)cc1C[NH2+][C@@H](C)CC ZINC000008326686 342797915 /nfs/dbraw/zinc/79/79/15/342797915.db2.gz PQBOLVXZGSKTBF-JTQLQIEISA-N 1 0 241.762 3.627 50 0 BHAARO CC[C@H](C)[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000008326701 171343249 /nfs/dbraw/zinc/34/32/49/171343249.db2.gz FKDRVKLPZWVYQK-QMMMGPOBSA-N 1 0 232.154 3.882 50 0 BHAARO CC[C@H](C)[NH2+]Cc1cccc(Cl)c1Cl ZINC000008326772 171342917 /nfs/dbraw/zinc/34/29/17/171342917.db2.gz NCIFEHQOISOQBA-QMMMGPOBSA-N 1 0 232.154 3.882 50 0 BHAARO CC[C@H](C)[NH2+]Cc1cccc2ccccc21 ZINC000008326785 171344242 /nfs/dbraw/zinc/34/42/42/171344242.db2.gz PXXGUEHHAMQZAT-LBPRGKRZSA-N 1 0 213.324 3.728 50 0 BHAARO CSc1ccc(C[NH2+]C2CCCCC2)cc1 ZINC000008496846 175575845 /nfs/dbraw/zinc/57/58/45/175575845.db2.gz LUVKHGVYALHKPF-UHFFFAOYSA-N 1 0 235.396 3.831 50 0 BHAARO C[C@@H](c1ccccc1)N1Cc2ccccc2C1=[NH2+] ZINC000008534296 176021454 /nfs/dbraw/zinc/02/14/54/176021454.db2.gz NNNGQFIGDJJFFW-LBPRGKRZSA-N 1 0 236.318 3.589 50 0 BHAARO C[C@H](c1ccccc1)N1Cc2ccccc2C1=[NH2+] ZINC000008535362 177040168 /nfs/dbraw/zinc/04/01/68/177040168.db2.gz NNNGQFIGDJJFFW-GFCCVEGCSA-N 1 0 236.318 3.589 50 0 BHAARO Cc1ccc(C[NH2+]C/C=C/c2ccccc2)cc1 ZINC000008550075 342800460 /nfs/dbraw/zinc/80/04/60/342800460.db2.gz WHWMJICALPJXQI-VMPITWQZSA-N 1 0 237.346 3.798 50 0 BHAARO Cc1ccc(C[NH2+]C2CCCCCC2)cc1 ZINC000008550079 342800361 /nfs/dbraw/zinc/80/03/61/342800361.db2.gz KTAAOHHQURPEHO-UHFFFAOYSA-N 1 0 217.356 3.807 50 0 BHAARO Cc1[nH]c(/C=C2\[NH+]=CC(C)=C2C)c(C)c1C ZINC000008656729 168080182 /nfs/dbraw/zinc/08/01/82/168080182.db2.gz QRYPSPGKRQABTL-MLPAPPSSSA-N 1 0 214.312 3.702 50 0 BHAARO Cc1ccc(C(c2ccc(C)cc2)[NH+](C)C)cc1 ZINC000008748852 388408450 /nfs/dbraw/zinc/40/84/50/388408450.db2.gz RTUAIBACJCHLIS-UHFFFAOYSA-N 1 0 239.362 3.954 50 0 BHAARO Clc1cccc(C[NH2+]Cc2ccccc2)c1 ZINC000009194455 342809712 /nfs/dbraw/zinc/80/97/12/342809712.db2.gz GXANNDMRRFEMAA-UHFFFAOYSA-N 1 0 231.726 3.630 50 0 BHAARO [NH3+][C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000009245967 342811239 /nfs/dbraw/zinc/81/12/39/342811239.db2.gz LMZFIZRVVVOAKB-GFCCVEGCSA-N 1 0 209.720 3.530 50 0 BHAARO Cc1ccc(C[N@H+](Cc2ccccc2)C(C)C)o1 ZINC000009720786 374230046 /nfs/dbraw/zinc/23/00/46/374230046.db2.gz JNLOETJJGPGRTQ-UHFFFAOYSA-N 1 0 243.350 3.999 50 0 BHAARO C1CCC([NH2+]C2C3CC4CC(C3)CC2C4)CC1 ZINC000009957459 342919892 /nfs/dbraw/zinc/91/98/92/342919892.db2.gz WIHJYSHBXBBHAZ-UHFFFAOYSA-N 1 0 233.399 3.733 50 0 BHAARO CCC[C@H]([NH2+]Cc1cccnc1)c1ccccc1 ZINC000010315432 342835442 /nfs/dbraw/zinc/83/54/42/342835442.db2.gz VVAXQFPBTDWMCV-INIZCTEOSA-N 1 0 240.350 3.713 50 0 BHAARO CCC[C@@H]([NH2+]Cc1cccnc1)c1ccccc1 ZINC000010315433 384273385 /nfs/dbraw/zinc/27/33/85/384273385.db2.gz VVAXQFPBTDWMCV-MRXNPFEDSA-N 1 0 240.350 3.713 50 0 BHAARO Cl[C@]12CCCC[C@H]1[C@@H](c1ccccc1)[NH2+]CC2 ZINC000010434991 180574207 /nfs/dbraw/zinc/57/42/07/180574207.db2.gz GNZQSHUPGWGUFA-ZNMIVQPWSA-N 1 0 249.785 3.889 50 0 BHAARO Cl[C@]12CCCC[C@H]1[C@H](c1ccccc1)[NH2+]CC2 ZINC000010434993 374300761 /nfs/dbraw/zinc/30/07/61/374300761.db2.gz GNZQSHUPGWGUFA-KKUMJFAQSA-N 1 0 249.785 3.889 50 0 BHAARO Cl[C@]12CCCC[C@@H]1[C@@H](c1ccccc1)[NH2+]CC2 ZINC000010434995 180573784 /nfs/dbraw/zinc/57/37/84/180573784.db2.gz GNZQSHUPGWGUFA-KFWWJZLASA-N 1 0 249.785 3.889 50 0 BHAARO Cl[C@]12CCCC[C@@H]1[C@H](c1ccccc1)[NH2+]CC2 ZINC000010434998 374300573 /nfs/dbraw/zinc/30/05/73/374300573.db2.gz GNZQSHUPGWGUFA-ILXRZTDVSA-N 1 0 249.785 3.889 50 0 BHAARO CCOc1ccc2ccccc2c1C[NH2+]C(C)C ZINC000010436117 342836325 /nfs/dbraw/zinc/83/63/25/342836325.db2.gz RVOJHWBFLUTFDD-UHFFFAOYSA-N 1 0 243.350 3.737 50 0 BHAARO CC(C)[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC000010436130 167117531 /nfs/dbraw/zinc/11/75/31/167117531.db2.gz XAYAMHJQZMRSLF-UHFFFAOYSA-N 1 0 225.335 3.852 50 0 BHAARO COc1c(Cl)cc(Cl)cc1C[NH2+]C(C)C ZINC000010436182 346811119 /nfs/dbraw/zinc/81/11/19/346811119.db2.gz VDTMQWSAYAOYHC-UHFFFAOYSA-N 1 0 248.153 3.500 50 0 BHAARO CCC[C@H]([NH2+]Cc1ccco1)c1ccccc1 ZINC000010436221 342836348 /nfs/dbraw/zinc/83/63/48/342836348.db2.gz XTJRSBINWRCQLX-HNNXBMFYSA-N 1 0 229.323 3.911 50 0 BHAARO CCC[C@@H]([NH2+]Cc1ccco1)c1ccccc1 ZINC000010436222 384273052 /nfs/dbraw/zinc/27/30/52/384273052.db2.gz XTJRSBINWRCQLX-OAHLLOKOSA-N 1 0 229.323 3.911 50 0 BHAARO CC(C)[NH2+]Cc1ccc(-c2ccccc2F)o1 ZINC000010436236 167119452 /nfs/dbraw/zinc/11/94/52/167119452.db2.gz BHOZJHHTZYFPGC-UHFFFAOYSA-N 1 0 233.286 3.584 50 0 BHAARO CC(C)[NH2+]Cc1ccc(-c2ccc(F)cc2)o1 ZINC000010436240 167116378 /nfs/dbraw/zinc/11/63/78/167116378.db2.gz SUDDNMQDJPYQQY-UHFFFAOYSA-N 1 0 233.286 3.584 50 0 BHAARO C[C@@H](C[NH2+]C1CCCCC1)c1ccccc1 ZINC000010436519 342836314 /nfs/dbraw/zinc/83/63/14/342836314.db2.gz JJLPWUZUUANXLI-ZDUSSCGKSA-N 1 0 217.356 3.712 50 0 BHAARO C[C@H](C[NH2+]C1CCCCC1)c1ccccc1 ZINC000010436520 342836346 /nfs/dbraw/zinc/83/63/46/342836346.db2.gz JJLPWUZUUANXLI-CYBMUJFWSA-N 1 0 217.356 3.712 50 0 BHAARO CCOc1ccc(C[NH2+]C(C)(C)C)cc1Cl ZINC000010436527 342836333 /nfs/dbraw/zinc/83/63/33/342836333.db2.gz VHKDPDGEVXHBLW-UHFFFAOYSA-N 1 0 241.762 3.627 50 0 BHAARO C([NH2+]C1C2CC3CC(C2)CC1C3)C1CCCCC1 ZINC000010436600 342836372 /nfs/dbraw/zinc/83/63/72/342836372.db2.gz RFMRBSGNYDJGNL-UHFFFAOYSA-N 1 0 247.426 3.981 50 0 BHAARO CCCC[NH2+]Cc1ccc(OCC)c(Cl)c1 ZINC000010473999 384274576 /nfs/dbraw/zinc/27/45/76/384274576.db2.gz GWZUXENORLOCHT-UHFFFAOYSA-N 1 0 241.762 3.628 50 0 BHAARO CCCCC[NH2+]C[C@@H](C)c1ccccc1 ZINC000010474822 342836595 /nfs/dbraw/zinc/83/65/95/342836595.db2.gz OSCRLMXNDRDFHX-CYBMUJFWSA-N 1 0 205.345 3.570 50 0 BHAARO CCCCC[NH2+]C[C@H](C)c1ccccc1 ZINC000010474825 342836620 /nfs/dbraw/zinc/83/66/20/342836620.db2.gz OSCRLMXNDRDFHX-ZDUSSCGKSA-N 1 0 205.345 3.570 50 0 BHAARO CCCCCC[NH2+]C[C@@H](C)c1ccccc1 ZINC000010474856 342836592 /nfs/dbraw/zinc/83/65/92/342836592.db2.gz XRFUSMJTYLCBHC-CQSZACIVSA-N 1 0 219.372 3.960 50 0 BHAARO CCCCCC[NH2+]C[C@H](C)c1ccccc1 ZINC000010474858 342836591 /nfs/dbraw/zinc/83/65/91/342836591.db2.gz XRFUSMJTYLCBHC-AWEZNQCLSA-N 1 0 219.372 3.960 50 0 BHAARO CCOc1ccc(C[NH2+][C@H](C)CC)cc1Cl ZINC000010474910 170546726 /nfs/dbraw/zinc/54/67/26/170546726.db2.gz ZAOSTMBMNPBUBO-SNVBAGLBSA-N 1 0 241.762 3.627 50 0 BHAARO CCOc1ccc(C[NH2+][C@@H](C)CC)cc1Cl ZINC000010474911 342836542 /nfs/dbraw/zinc/83/65/42/342836542.db2.gz ZAOSTMBMNPBUBO-JTQLQIEISA-N 1 0 241.762 3.627 50 0 BHAARO Fc1ccccc1CC[NH2+]CC1CCCCC1 ZINC000010475176 181011315 /nfs/dbraw/zinc/01/13/15/181011315.db2.gz CBQSPFJZWRIBJY-UHFFFAOYSA-N 1 0 235.346 3.538 50 0 BHAARO Fc1ccc(CC[NH2+]CC2CCCCC2)cc1 ZINC000010475193 342836517 /nfs/dbraw/zinc/83/65/17/342836517.db2.gz LZJIGBYBBPULTJ-UHFFFAOYSA-N 1 0 235.346 3.538 50 0 BHAARO C([NH2+]C1CCCCCC1)C1CCCCC1 ZINC000010475317 346811505 /nfs/dbraw/zinc/81/15/05/346811505.db2.gz SSAINHHTCYTYAP-UHFFFAOYSA-N 1 0 209.377 3.879 50 0 BHAARO c1ccc(CC[NH2+]C2CCCCCCC2)cc1 ZINC000010475359 183393202 /nfs/dbraw/zinc/39/32/02/183393202.db2.gz KYRJTQCOHQCGCX-UHFFFAOYSA-N 1 0 231.383 3.932 50 0 BHAARO Cc1ccc(C[NH2+]CC2CCCCC2)cc1 ZINC000010475391 342836506 /nfs/dbraw/zinc/83/65/06/342836506.db2.gz DLWLZKNMWBGTBO-UHFFFAOYSA-N 1 0 217.356 3.665 50 0 BHAARO Cc1nc2ccc(Nc3cc[nH+]cc3)cc2s1 ZINC000011535866 180096165 /nfs/dbraw/zinc/09/61/65/180096165.db2.gz XZZLVVYVUYGRKR-UHFFFAOYSA-N 1 0 241.319 3.743 50 0 BHAARO Cc1nc2cc(Nc3cc[nH+]cc3)ccc2s1 ZINC000011535868 180084102 /nfs/dbraw/zinc/08/41/02/180084102.db2.gz YDDBCIFJHKECIH-UHFFFAOYSA-N 1 0 241.319 3.743 50 0 BHAARO c1ccc(CC[C@H]2[NH2+]CCc3ccccc32)cc1 ZINC000011597230 183394971 /nfs/dbraw/zinc/39/49/71/183394971.db2.gz UKUJIVVXTYWNIO-QGZVFWFLSA-N 1 0 237.346 3.506 50 0 BHAARO c1ccc(CC[C@@H]2[NH2+]CCc3ccccc32)cc1 ZINC000011597234 183395450 /nfs/dbraw/zinc/39/54/50/183395450.db2.gz UKUJIVVXTYWNIO-KRWDZBQOSA-N 1 0 237.346 3.506 50 0 BHAARO Cc1ccc2c(c1)CC[NH2+][C@@H]2c1ccccc1C ZINC000011597492 187305075 /nfs/dbraw/zinc/30/50/75/187305075.db2.gz FUOVTHMZYZYHSU-QGZVFWFLSA-N 1 0 237.346 3.539 50 0 BHAARO Cc1ccc2c(c1)CC[NH2+][C@H]2c1ccccc1C ZINC000011597496 344384647 /nfs/dbraw/zinc/38/46/47/344384647.db2.gz FUOVTHMZYZYHSU-KRWDZBQOSA-N 1 0 237.346 3.539 50 0 BHAARO [NH3+][C@@H](Cc1ccccc1)c1ccc(Cl)cc1 ZINC000011601997 181557280 /nfs/dbraw/zinc/55/72/80/181557280.db2.gz LOBUEOHOZLKGHQ-AWEZNQCLSA-N 1 0 231.726 3.583 50 0 BHAARO [NH3+][C@H](Cc1ccccc1)c1ccc(Cl)cc1 ZINC000011602001 342841779 /nfs/dbraw/zinc/84/17/79/342841779.db2.gz LOBUEOHOZLKGHQ-CQSZACIVSA-N 1 0 231.726 3.583 50 0 BHAARO [NH3+][C@@H](Cc1ccccc1Cl)c1ccccc1 ZINC000011603741 342841820 /nfs/dbraw/zinc/84/18/20/342841820.db2.gz VJFAMTBENIEHHD-AWEZNQCLSA-N 1 0 231.726 3.583 50 0 BHAARO [NH3+][C@H](Cc1ccccc1Cl)c1ccccc1 ZINC000011603744 342841858 /nfs/dbraw/zinc/84/18/58/342841858.db2.gz VJFAMTBENIEHHD-CQSZACIVSA-N 1 0 231.726 3.583 50 0 BHAARO [NH3+][C@@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC000011604097 342841831 /nfs/dbraw/zinc/84/18/31/342841831.db2.gz DYPUFZGNHHLMAL-AWEZNQCLSA-N 1 0 231.726 3.583 50 0 BHAARO [NH3+][C@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC000011604100 342841880 /nfs/dbraw/zinc/84/18/80/342841880.db2.gz DYPUFZGNHHLMAL-CQSZACIVSA-N 1 0 231.726 3.583 50 0 BHAARO CC(C)(C)c1ccc(CC2CC[NH2+]CC2)cc1 ZINC000011630919 384293408 /nfs/dbraw/zinc/29/34/08/384293408.db2.gz XQDVRUGUNUMSOJ-UHFFFAOYSA-N 1 0 231.383 3.526 50 0 BHAARO [NH3+]Cc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000011730422 384295392 /nfs/dbraw/zinc/29/53/92/384295392.db2.gz RSKNKMAOJXTKGO-UHFFFAOYSA-N 1 0 242.105 3.712 50 0 BHAARO CC[NH2+][C@@H](CC)c1ccc(Br)cc1 ZINC000011757544 170143945 /nfs/dbraw/zinc/14/39/45/170143945.db2.gz BSQJEEMOEQKIAK-NSHDSACASA-N 1 0 242.160 3.510 50 0 BHAARO CC[NH2+][C@H](CC)c1ccc(Br)cc1 ZINC000011757545 170161380 /nfs/dbraw/zinc/16/13/80/170161380.db2.gz BSQJEEMOEQKIAK-LLVKDONJSA-N 1 0 242.160 3.510 50 0 BHAARO [NH3+]CC1(c2ccc(Cl)cc2)CCCCC1 ZINC000011883723 181363060 /nfs/dbraw/zinc/36/30/60/181363060.db2.gz NVXHEFNSQQTTPF-UHFFFAOYSA-N 1 0 223.747 3.501 50 0 BHAARO [NH3+]CC1(c2cccc(Cl)c2)CCCCC1 ZINC000011884126 181362621 /nfs/dbraw/zinc/36/26/21/181362621.db2.gz LAKSUFNIWOKMDN-UHFFFAOYSA-N 1 0 223.747 3.501 50 0 BHAARO Cc1cccc(C[NH2+][C@H](C)c2ccccc2)c1 ZINC000012042110 179100019 /nfs/dbraw/zinc/10/00/19/179100019.db2.gz RIJGFBBPMPGCJT-CQSZACIVSA-N 1 0 225.335 3.846 50 0 BHAARO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1Cl ZINC000012350190 176073540 /nfs/dbraw/zinc/07/35/40/176073540.db2.gz VRICTDXBHLDGRS-LLVKDONJSA-N 1 0 223.747 3.714 50 0 BHAARO C[C@H]1CCCC[N@@H+]1Cc1ccccc1Cl ZINC000012350199 177076695 /nfs/dbraw/zinc/07/66/95/177076695.db2.gz VRICTDXBHLDGRS-NSHDSACASA-N 1 0 223.747 3.714 50 0 BHAARO C[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000012350995 176101247 /nfs/dbraw/zinc/10/12/47/176101247.db2.gz QUAZCBBGZZHVLQ-LLVKDONJSA-N 1 0 223.747 3.572 50 0 BHAARO C[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000012350999 177100942 /nfs/dbraw/zinc/10/09/42/177100942.db2.gz QUAZCBBGZZHVLQ-NSHDSACASA-N 1 0 223.747 3.572 50 0 BHAARO CCCC[N@H+](C)Cc1ccccc1Cl ZINC000012351004 350142668 /nfs/dbraw/zinc/14/26/68/350142668.db2.gz FCANELNTPAJHCE-UHFFFAOYSA-N 1 0 211.736 3.572 50 0 BHAARO C[C@@H]([NH2+]Cc1ccccc1)c1ccccc1 ZINC000012360036 342850233 /nfs/dbraw/zinc/85/02/33/342850233.db2.gz ZYZHMSJNPCYUTB-CYBMUJFWSA-N 1 0 211.308 3.537 50 0 BHAARO C[C@H]([NH2+]Cc1ccccc1)c1ccccc1 ZINC000012360037 176876900 /nfs/dbraw/zinc/87/69/00/176876900.db2.gz ZYZHMSJNPCYUTB-ZDUSSCGKSA-N 1 0 211.308 3.537 50 0 BHAARO CC(C)OCCC[NH2+]Cc1ccc(C(C)C)cc1 ZINC000012382971 167224211 /nfs/dbraw/zinc/22/42/11/167224211.db2.gz FWYFVYWEAIAQHP-UHFFFAOYSA-N 1 0 249.398 3.715 50 0 BHAARO c1ccc(N[C@@H]2CCC[N@@H+](C3CCCC3)C2)cc1 ZINC000012387774 386224092 /nfs/dbraw/zinc/22/40/92/386224092.db2.gz RIPSGSJTPAWTCW-OAHLLOKOSA-N 1 0 244.382 3.506 50 0 BHAARO c1ccc(N[C@H]2CCC[N@@H+](C3CCCC3)C2)cc1 ZINC000012387775 386224234 /nfs/dbraw/zinc/22/42/34/386224234.db2.gz RIPSGSJTPAWTCW-HNNXBMFYSA-N 1 0 244.382 3.506 50 0 BHAARO CC(C)(C)c1ccc([C@@H]2CCCC[NH2+]2)cc1 ZINC000012404533 188279893 /nfs/dbraw/zinc/27/98/93/188279893.db2.gz BVZADSBIWVFXJB-AWEZNQCLSA-N 1 0 217.356 3.799 50 0 BHAARO CC(C)(C)c1ccc([C@H]2CCCC[NH2+]2)cc1 ZINC000012404534 384319272 /nfs/dbraw/zinc/31/92/72/384319272.db2.gz BVZADSBIWVFXJB-CQSZACIVSA-N 1 0 217.356 3.799 50 0 BHAARO CCOc1ccc(Cl)cc1[C@@H]1CCCC[NH2+]1 ZINC000012404749 342851600 /nfs/dbraw/zinc/85/16/00/342851600.db2.gz MYIBAFWQCUCAJD-LBPRGKRZSA-N 1 0 239.746 3.553 50 0 BHAARO CCOc1ccc(Cl)cc1[C@H]1CCCC[NH2+]1 ZINC000012404750 342851442 /nfs/dbraw/zinc/85/14/42/342851442.db2.gz MYIBAFWQCUCAJD-GFCCVEGCSA-N 1 0 239.746 3.553 50 0 BHAARO CC[NH2+]C1(c2cccs2)CCCCC1 ZINC000012412060 170108595 /nfs/dbraw/zinc/10/85/95/170108595.db2.gz JRYPDBYJPXTVIV-UHFFFAOYSA-N 1 0 209.358 3.517 50 0 BHAARO CC[N@@H+]1CCC[C@@H](Nc2ccc(C(C)C)cc2)C1 ZINC000012448104 343070598 /nfs/dbraw/zinc/07/05/98/343070598.db2.gz URJIGQPSTOLXKN-MRXNPFEDSA-N 1 0 246.398 3.706 50 0 BHAARO CC[N@@H+]1CCC[C@H](Nc2ccc(C(C)C)cc2)C1 ZINC000012448105 343070584 /nfs/dbraw/zinc/07/05/84/343070584.db2.gz URJIGQPSTOLXKN-INIZCTEOSA-N 1 0 246.398 3.706 50 0 BHAARO COc1cc(C)c(C[NH2+]C2CCCCC2)cc1C ZINC000013112122 174958066 /nfs/dbraw/zinc/95/80/66/174958066.db2.gz QKPXHXPLAWJIAQ-UHFFFAOYSA-N 1 0 247.382 3.734 50 0 BHAARO CC1(C)Cc2nc3ccccc3c(N)c2C(=O)C1 ZINC000013191117 384349450 /nfs/dbraw/zinc/34/94/50/384349450.db2.gz OYOHTYQYQQMJPH-UHFFFAOYSA-N 1 0 240.306 3.773 50 0 BHAARO C[C@H]([NH2+]C1CCCCC1)c1ccccc1 ZINC000013468221 384359475 /nfs/dbraw/zinc/35/94/75/384359475.db2.gz CDGLTZQYNKEYOI-LBPRGKRZSA-N 1 0 203.329 3.670 50 0 BHAARO c1csc(-c2cc([C@H]3CCCCC[NH2+]3)no2)c1 ZINC000013566798 342867996 /nfs/dbraw/zinc/86/79/96/342867996.db2.gz IIMPPTLDXUVNNC-SNVBAGLBSA-N 1 0 248.351 3.608 50 0 BHAARO c1csc(-c2cc([C@@H]3CCCCC[NH2+]3)no2)c1 ZINC000013566799 342867979 /nfs/dbraw/zinc/86/79/79/342867979.db2.gz IIMPPTLDXUVNNC-JTQLQIEISA-N 1 0 248.351 3.608 50 0 BHAARO Clc1ccc(CC[NH2+]Cc2ccccc2)cc1 ZINC000013717794 342870924 /nfs/dbraw/zinc/87/09/24/342870924.db2.gz ALYBQPZLRUVOGE-UHFFFAOYSA-N 1 0 245.753 3.672 50 0 BHAARO CCC(C)(C)[NH2+]Cc1ccc(Cl)cc1 ZINC000013717819 168299627 /nfs/dbraw/zinc/29/96/27/168299627.db2.gz PHUOXOYSTGRBLU-UHFFFAOYSA-N 1 0 211.736 3.618 50 0 BHAARO c1csc(C[NH2+]CCC2=CCCCC2)c1 ZINC000013717836 188280275 /nfs/dbraw/zinc/28/02/75/188280275.db2.gz KKSBVXXJKCMYOT-UHFFFAOYSA-N 1 0 221.369 3.728 50 0 BHAARO C[C@@H](CCc1ccccc1)[NH2+]Cc1cccs1 ZINC000013717840 342870928 /nfs/dbraw/zinc/87/09/28/342870928.db2.gz CURVMRDOQHBNMS-ZDUSSCGKSA-N 1 0 245.391 3.859 50 0 BHAARO C[C@H](CCc1ccccc1)[NH2+]Cc1cccs1 ZINC000013717841 176640418 /nfs/dbraw/zinc/64/04/18/176640418.db2.gz CURVMRDOQHBNMS-CYBMUJFWSA-N 1 0 245.391 3.859 50 0 BHAARO CC(C)CC[NH2+]Cc1cccc2ccccc21 ZINC000013717875 384370229 /nfs/dbraw/zinc/37/02/29/384370229.db2.gz RYSSGWBYYVWQFJ-UHFFFAOYSA-N 1 0 227.351 3.976 50 0 BHAARO CC(C)CC[NH2+]Cc1c(F)cccc1Cl ZINC000013717894 384369739 /nfs/dbraw/zinc/36/97/39/384369739.db2.gz CNPQXUHXISUIKS-UHFFFAOYSA-N 1 0 229.726 3.615 50 0 BHAARO CCC(C)(C)[NH2+]Cc1c(F)cccc1Cl ZINC000013717896 168299298 /nfs/dbraw/zinc/29/92/98/168299298.db2.gz SXEGDGSLSYZPFL-UHFFFAOYSA-N 1 0 229.726 3.757 50 0 BHAARO COc1ccccc1C[NH2+]CCC1=CCCCC1 ZINC000013717921 384368252 /nfs/dbraw/zinc/36/82/52/384368252.db2.gz JXOMOAHMRSDYIW-UHFFFAOYSA-N 1 0 245.366 3.675 50 0 BHAARO CCCCOCCC[NH2+]Cc1ccc(CC)cc1 ZINC000013717982 384373464 /nfs/dbraw/zinc/37/34/64/384373464.db2.gz NOXSTIZLCVRXPQ-UHFFFAOYSA-N 1 0 249.398 3.545 50 0 BHAARO CCc1ccc(C[NH2+]C(C)(C)CC)cc1 ZINC000013717991 384373072 /nfs/dbraw/zinc/37/30/72/384373072.db2.gz MZVQTQXSYODQKB-UHFFFAOYSA-N 1 0 205.345 3.527 50 0 BHAARO COc1cccc(C[NH2+]CCC2=CCCCC2)c1 ZINC000013718040 175263752 /nfs/dbraw/zinc/26/37/52/175263752.db2.gz FFTQWKYGIARXFS-UHFFFAOYSA-N 1 0 245.366 3.675 50 0 BHAARO CC(C)CC[NH2+]Cc1ccccc1C(F)(F)F ZINC000013718144 384372903 /nfs/dbraw/zinc/37/29/03/384372903.db2.gz VQQZRKXWRHWQGH-UHFFFAOYSA-N 1 0 245.288 3.841 50 0 BHAARO CCC(C)(C)[NH2+]Cc1ccccc1C(F)(F)F ZINC000013718146 168299269 /nfs/dbraw/zinc/29/92/69/168299269.db2.gz IWOQWEOPKAZJBK-UHFFFAOYSA-N 1 0 245.288 3.984 50 0 BHAARO CCC(C)(C)[NH2+]Cc1ccccc1Cl ZINC000013718170 168298823 /nfs/dbraw/zinc/29/88/23/168298823.db2.gz SYTNVBSANASSBE-UHFFFAOYSA-N 1 0 211.736 3.618 50 0 BHAARO Fc1ccccc1C[NH2+]CCC1=CCCCC1 ZINC000013718211 181012045 /nfs/dbraw/zinc/01/20/45/181012045.db2.gz VWDSRMVLSWFREA-UHFFFAOYSA-N 1 0 233.330 3.806 50 0 BHAARO CSc1ccc(C[NH2+]CCC(C)C)cc1 ZINC000013718248 346964626 /nfs/dbraw/zinc/96/46/26/346964626.db2.gz ZOJBAJNQISEHRT-UHFFFAOYSA-N 1 0 223.385 3.544 50 0 BHAARO CCC(C)(C)[NH2+]Cc1ccc(SC)cc1 ZINC000013718250 168299707 /nfs/dbraw/zinc/29/97/07/168299707.db2.gz LXEDCNIUZMFGTM-UHFFFAOYSA-N 1 0 223.385 3.687 50 0 BHAARO CCC(C)(C)[NH2+]Cc1cc(Cl)ccc1OC ZINC000013718276 168299552 /nfs/dbraw/zinc/29/95/52/168299552.db2.gz HBDPULFEKCFIKI-UHFFFAOYSA-N 1 0 241.762 3.627 50 0 BHAARO CC(C)CC[NH2+]Cc1ccc(C(C)C)cc1 ZINC000013718289 166862642 /nfs/dbraw/zinc/86/26/42/166862642.db2.gz PXGLFVOJEACJKZ-UHFFFAOYSA-N 1 0 219.372 3.946 50 0 BHAARO c1ccc(CC[NH2+]CCC2=CCCCC2)cc1 ZINC000013718398 342870987 /nfs/dbraw/zinc/87/09/87/342870987.db2.gz RYMLWBGKDLFYMZ-UHFFFAOYSA-N 1 0 229.367 3.709 50 0 BHAARO CCCCOCCC[NH2+]C[C@@H](C)c1ccccc1 ZINC000013718437 384371065 /nfs/dbraw/zinc/37/10/65/384371065.db2.gz OWANEHZXBADQNI-OAHLLOKOSA-N 1 0 249.398 3.587 50 0 BHAARO CCCCOCCC[NH2+]C[C@H](C)c1ccccc1 ZINC000013718440 384371488 /nfs/dbraw/zinc/37/14/88/384371488.db2.gz OWANEHZXBADQNI-HNNXBMFYSA-N 1 0 249.398 3.587 50 0 BHAARO CCC(C)(C)[NH2+]C[C@@H](C)c1ccccc1 ZINC000013718471 168299226 /nfs/dbraw/zinc/29/92/26/168299226.db2.gz OHXJWYYVVBJJDO-GFCCVEGCSA-N 1 0 205.345 3.568 50 0 BHAARO CCC(C)(C)[NH2+]C[C@H](C)c1ccccc1 ZINC000013718474 168299492 /nfs/dbraw/zinc/29/94/92/168299492.db2.gz OHXJWYYVVBJJDO-LBPRGKRZSA-N 1 0 205.345 3.568 50 0 BHAARO CCC[N@H+]1CC=C(c2c[nH]c3ccccc23)CC1 ZINC000013731903 169185441 /nfs/dbraw/zinc/18/54/41/169185441.db2.gz FJAGJTZGNGENJB-UHFFFAOYSA-N 1 0 240.350 3.667 50 0 BHAARO C[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000013945871 176073422 /nfs/dbraw/zinc/07/34/22/176073422.db2.gz XSUFBMOOGHTPOZ-LLVKDONJSA-N 1 0 223.747 3.714 50 0 BHAARO C[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000013945872 177077292 /nfs/dbraw/zinc/07/72/92/177077292.db2.gz XSUFBMOOGHTPOZ-NSHDSACASA-N 1 0 223.747 3.714 50 0 BHAARO Clc1ccccc1C[NH+]1CCCCCC1 ZINC000013945909 346967043 /nfs/dbraw/zinc/96/70/43/346967043.db2.gz GIJULRCQOLCUPU-UHFFFAOYSA-N 1 0 223.747 3.716 50 0 BHAARO Cc1c2cc(C[NH3+])ccc2[nH]c1-c1ccccc1 ZINC000014001405 177551643 /nfs/dbraw/zinc/55/16/43/177551643.db2.gz XDXPVUFGUQNZFZ-UHFFFAOYSA-N 1 0 236.318 3.602 50 0 BHAARO C[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000014193645 176101230 /nfs/dbraw/zinc/10/12/30/176101230.db2.gz SCSCONWPVVMLOB-LLVKDONJSA-N 1 0 223.747 3.572 50 0 BHAARO C[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000014193646 177102327 /nfs/dbraw/zinc/10/23/27/177102327.db2.gz SCSCONWPVVMLOB-NSHDSACASA-N 1 0 223.747 3.572 50 0 BHAARO Cc1ccccc1C[N@@H+]1CCc2ccccc2C1 ZINC000014217351 179276039 /nfs/dbraw/zinc/27/60/39/179276039.db2.gz OIRNNCBLHZHTQN-UHFFFAOYSA-N 1 0 237.346 3.553 50 0 BHAARO Cc1cc(C)c([C@@H]2CCCCC[NH2+]2)cc1C ZINC000014629002 177872842 /nfs/dbraw/zinc/87/28/42/177872842.db2.gz DBDSQXSUGPUJAS-HNNXBMFYSA-N 1 0 217.356 3.817 50 0 BHAARO Cc1cc(C)c([C@H]2CCCCC[NH2+]2)cc1C ZINC000014629004 384395907 /nfs/dbraw/zinc/39/59/07/384395907.db2.gz DBDSQXSUGPUJAS-OAHLLOKOSA-N 1 0 217.356 3.817 50 0 BHAARO COc1c(C)cc([C@@H]2CCCCC[NH2+]2)cc1C ZINC000014629048 174923919 /nfs/dbraw/zinc/92/39/19/174923919.db2.gz YTCOHPKUUAJIOX-AWEZNQCLSA-N 1 0 233.355 3.517 50 0 BHAARO COc1c(C)cc([C@H]2CCCCC[NH2+]2)cc1C ZINC000014629050 342882801 /nfs/dbraw/zinc/88/28/01/342882801.db2.gz YTCOHPKUUAJIOX-CQSZACIVSA-N 1 0 233.355 3.517 50 0 BHAARO Cc1ccc(-c2ccc(F)c(C[NH3+])c2)cc1C ZINC000014629087 178324153 /nfs/dbraw/zinc/32/41/53/178324153.db2.gz GBSWRJOZHRNJLF-UHFFFAOYSA-N 1 0 229.298 3.568 50 0 BHAARO CC[C@@H](C)c1ccc(OC[C@@H]2CCC[NH2+]C2)cc1 ZINC000014631270 170804086 /nfs/dbraw/zinc/80/40/86/170804086.db2.gz VLCUYWIAVUHSMP-ZIAGYGMSSA-N 1 0 247.382 3.579 50 0 BHAARO CC[C@H](C)c1ccc(OC[C@@H]2CCC[NH2+]C2)cc1 ZINC000014631271 171410826 /nfs/dbraw/zinc/41/08/26/171410826.db2.gz VLCUYWIAVUHSMP-UONOGXRCSA-N 1 0 247.382 3.579 50 0 BHAARO CC[C@@H](C)c1ccc(OC[C@H]2CCC[NH2+]C2)cc1 ZINC000014631273 170804067 /nfs/dbraw/zinc/80/40/67/170804067.db2.gz VLCUYWIAVUHSMP-KGLIPLIRSA-N 1 0 247.382 3.579 50 0 BHAARO CC[C@H](C)c1ccc(OC[C@H]2CCC[NH2+]C2)cc1 ZINC000014631275 384398865 /nfs/dbraw/zinc/39/88/65/384398865.db2.gz VLCUYWIAVUHSMP-KBPBESRZSA-N 1 0 247.382 3.579 50 0 BHAARO CC[C@@H](C)c1ccc(OCC2CC[NH2+]CC2)cc1 ZINC000014631476 384399125 /nfs/dbraw/zinc/39/91/25/384399125.db2.gz NHWJEUBKWUXYJA-CYBMUJFWSA-N 1 0 247.382 3.579 50 0 BHAARO CC[C@H](C)c1ccc(OCC2CC[NH2+]CC2)cc1 ZINC000014631478 171410705 /nfs/dbraw/zinc/41/07/05/171410705.db2.gz NHWJEUBKWUXYJA-ZDUSSCGKSA-N 1 0 247.382 3.579 50 0 BHAARO [NH3+]C[C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000014988405 384415797 /nfs/dbraw/zinc/41/57/97/384415797.db2.gz QVEDYGKSGACMBX-ZDUSSCGKSA-N 1 0 223.747 3.573 50 0 BHAARO [NH3+]C[C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000014988408 384415329 /nfs/dbraw/zinc/41/53/29/384415329.db2.gz QVEDYGKSGACMBX-CYBMUJFWSA-N 1 0 223.747 3.573 50 0 BHAARO [NH3+][C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000015014406 342890692 /nfs/dbraw/zinc/89/06/92/342890692.db2.gz LMZFIZRVVVOAKB-LBPRGKRZSA-N 1 0 209.720 3.530 50 0 BHAARO Cc1ccc(C[NH2+][C@@H]2CCC[C@@H](C)[C@H]2C)s1 ZINC000015416559 352749455 /nfs/dbraw/zinc/74/94/55/352749455.db2.gz ZBDWBJYJQFXGKV-MPKXVKKWSA-N 1 0 237.412 3.971 50 0 BHAARO Cc1ccc(C[NH2+][C@@H]2CCC[C@H](C)[C@H]2C)s1 ZINC000015416562 178624834 /nfs/dbraw/zinc/62/48/34/178624834.db2.gz ZBDWBJYJQFXGKV-ZKYQVNSYSA-N 1 0 237.412 3.971 50 0 BHAARO C[C@@H]1CCC[C@@H]([NH2+]Cc2cccs2)[C@@H]1C ZINC000015416591 176123706 /nfs/dbraw/zinc/12/37/06/176123706.db2.gz OOCOMBWGZIHIQR-NQBHXWOUSA-N 1 0 223.385 3.662 50 0 BHAARO C[C@@H]1CCC[C@H]([NH2+]Cc2cccs2)[C@@H]1C ZINC000015416596 176143991 /nfs/dbraw/zinc/14/39/91/176143991.db2.gz OOCOMBWGZIHIQR-WZRBSPASSA-N 1 0 223.385 3.662 50 0 BHAARO COc1ccccc1C[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000015416636 175330538 /nfs/dbraw/zinc/33/05/38/175330538.db2.gz AWGXUBZXRCQJNY-VNHYZAJKSA-N 1 0 247.382 3.610 50 0 BHAARO c1csc(C[NH2+]Cc2cccc3[nH]ccc32)c1 ZINC000015423513 342896110 /nfs/dbraw/zinc/89/61/10/342896110.db2.gz PHNUBHPPTAHJEP-UHFFFAOYSA-N 1 0 242.347 3.519 50 0 BHAARO CCC[C@@H]([NH2+]C)c1ccc(Br)cc1 ZINC000015922160 169399351 /nfs/dbraw/zinc/39/93/51/169399351.db2.gz PMUHMACXBKPGNX-LLVKDONJSA-N 1 0 242.160 3.510 50 0 BHAARO CCC[C@H]([NH2+]C)c1ccc(Br)cc1 ZINC000015922161 356592421 /nfs/dbraw/zinc/59/24/21/356592421.db2.gz PMUHMACXBKPGNX-NSHDSACASA-N 1 0 242.160 3.510 50 0 BHAARO Cc1ccccc1C[NH2+]C1CCCCCC1 ZINC000016362685 179281300 /nfs/dbraw/zinc/28/13/00/179281300.db2.gz GGXXOXRTCRTXFT-UHFFFAOYSA-N 1 0 217.356 3.807 50 0 BHAARO Cc1ccccc1C[NH2+]Cc1ccccc1Cl ZINC000016362714 179283294 /nfs/dbraw/zinc/28/32/94/179283294.db2.gz RZYZAQOGCJJJSO-UHFFFAOYSA-N 1 0 245.753 3.938 50 0 BHAARO Clc1cccc(C[NH2+]C2CCCCC2)c1 ZINC000016398833 342910463 /nfs/dbraw/zinc/91/04/63/342910463.db2.gz FCHZDEBMSQCADY-UHFFFAOYSA-N 1 0 223.747 3.762 50 0 BHAARO Fc1ccc(C[NH2+]C2CCCCCC2)cc1 ZINC000016401545 342910273 /nfs/dbraw/zinc/91/02/73/342910273.db2.gz FAICZMDQGMXAJJ-UHFFFAOYSA-N 1 0 221.319 3.638 50 0 BHAARO c1csc(C[NH2+]C2CCCCCC2)c1 ZINC000016430611 342910733 /nfs/dbraw/zinc/91/07/33/342910733.db2.gz VEUPQNCGQPDSKH-UHFFFAOYSA-N 1 0 209.358 3.561 50 0 BHAARO Clc1ccc(C[NH2+]Cc2cccs2)cc1 ZINC000016430640 342910735 /nfs/dbraw/zinc/91/07/35/342910735.db2.gz BQPFLLLNGOCIMK-UHFFFAOYSA-N 1 0 237.755 3.691 50 0 BHAARO Clc1ccccc1C[NH2+]C1CCCCC1 ZINC000016449614 342911007 /nfs/dbraw/zinc/91/10/07/342911007.db2.gz LMTAAEZJLLIHMH-UHFFFAOYSA-N 1 0 223.747 3.762 50 0 BHAARO Fc1ccccc1C[NH2+]C1CCCCCC1 ZINC000016449626 181011082 /nfs/dbraw/zinc/01/10/82/181011082.db2.gz OSKRZODWETZXMG-UHFFFAOYSA-N 1 0 221.319 3.638 50 0 BHAARO Fc1ccc(C[NH2+]C/C=C/c2ccccc2)cc1 ZINC000016450936 342910989 /nfs/dbraw/zinc/91/09/89/342910989.db2.gz WXHXLHFJBLIGHW-QPJJXVBHSA-N 1 0 241.309 3.629 50 0 BHAARO Clc1ccccc1C[NH2+]CCc1ccccc1 ZINC000016479387 342911490 /nfs/dbraw/zinc/91/14/90/342911490.db2.gz DAOIKMDLNGMJID-UHFFFAOYSA-N 1 0 245.753 3.672 50 0 BHAARO CC[NH2+]C/C=C/COc1ccc(C(C)(C)C)cc1 ZINC000016622034 170107872 /nfs/dbraw/zinc/10/78/72/170107872.db2.gz GOGWCMLWZUVSNY-VOTSOKGWSA-N 1 0 247.382 3.529 50 0 BHAARO CCCC[NH2+]Cc1c(OC)ccc2ccccc21 ZINC000016638893 384460836 /nfs/dbraw/zinc/46/08/36/384460836.db2.gz SXDSZIAUGPMZNP-UHFFFAOYSA-N 1 0 243.350 3.738 50 0 BHAARO CCC1CCC([NH2+]Cc2ccc(F)cc2)CC1 ZINC000016667315 342913815 /nfs/dbraw/zinc/91/38/15/342913815.db2.gz SLOIRUZIHNBYEP-UHFFFAOYSA-N 1 0 235.346 3.884 50 0 BHAARO c1ccc2cc(C[NH2+]Cc3ccncc3)ccc2c1 ZINC000016941721 384474314 /nfs/dbraw/zinc/47/43/14/384474314.db2.gz FWJFFHKQMZQVIQ-UHFFFAOYSA-N 1 0 248.329 3.525 50 0 BHAARO c1ccc2cc(C[NH2+]Cc3cccnc3)ccc2c1 ZINC000016941740 384472165 /nfs/dbraw/zinc/47/21/65/384472165.db2.gz MICBIHSDVVCMTE-UHFFFAOYSA-N 1 0 248.329 3.525 50 0 BHAARO Fc1ccc(C[NH+]2CCCCCC2)c(Cl)c1 ZINC000016972648 347216215 /nfs/dbraw/zinc/21/62/15/347216215.db2.gz XTEYAGRLFRSBCD-UHFFFAOYSA-N 1 0 241.737 3.855 50 0 BHAARO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(Cl)cc1 ZINC000019230394 342944263 /nfs/dbraw/zinc/94/42/63/342944263.db2.gz FIOXWXSEYGUNHM-GHMZBOCLSA-N 1 0 225.763 3.864 50 0 BHAARO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(Cl)cc1 ZINC000019230396 171365912 /nfs/dbraw/zinc/36/59/12/171365912.db2.gz FIOXWXSEYGUNHM-WDEREUQCSA-N 1 0 225.763 3.864 50 0 BHAARO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(Cl)cc1 ZINC000019230397 342944135 /nfs/dbraw/zinc/94/41/35/342944135.db2.gz FIOXWXSEYGUNHM-MNOVXSKESA-N 1 0 225.763 3.864 50 0 BHAARO CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(Cl)cc1 ZINC000019230398 171389267 /nfs/dbraw/zinc/38/92/67/171389267.db2.gz FIOXWXSEYGUNHM-QWRGUYRKSA-N 1 0 225.763 3.864 50 0 BHAARO CC(C)C[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000019230430 167003958 /nfs/dbraw/zinc/00/39/58/167003958.db2.gz QQHQXSGNUPDXGY-UHFFFAOYSA-N 1 0 211.393 3.837 50 0 BHAARO CCC[NH2+]C1CCC(C(C)(C)CC)CC1 ZINC000019232002 169255403 /nfs/dbraw/zinc/25/54/03/169255403.db2.gz PEMDKTUGVHUXGC-UHFFFAOYSA-N 1 0 211.393 3.981 50 0 BHAARO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(C)cc1 ZINC000019232770 170773939 /nfs/dbraw/zinc/77/39/39/170773939.db2.gz LEZMJYPTDKXGSH-CHWSQXEVSA-N 1 0 205.345 3.519 50 0 BHAARO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(C)cc1 ZINC000019232771 171365334 /nfs/dbraw/zinc/36/53/34/171365334.db2.gz LEZMJYPTDKXGSH-QWHCGFSZSA-N 1 0 205.345 3.519 50 0 BHAARO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(C)cc1 ZINC000019232772 170790956 /nfs/dbraw/zinc/79/09/56/170790956.db2.gz LEZMJYPTDKXGSH-OLZOCXBDSA-N 1 0 205.345 3.519 50 0 BHAARO CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(C)cc1 ZINC000019232773 171389915 /nfs/dbraw/zinc/38/99/15/171389915.db2.gz LEZMJYPTDKXGSH-STQMWFEESA-N 1 0 205.345 3.519 50 0 BHAARO CC[C@@H]([NH2+]C1CC1)c1cccc(Cl)c1 ZINC000019257255 384513836 /nfs/dbraw/zinc/51/38/36/384513836.db2.gz JMMWBDRBYVDSLN-GFCCVEGCSA-N 1 0 209.720 3.543 50 0 BHAARO CC[C@H]([NH2+]C1CC1)c1cccc(Cl)c1 ZINC000019257257 342944635 /nfs/dbraw/zinc/94/46/35/342944635.db2.gz JMMWBDRBYVDSLN-LBPRGKRZSA-N 1 0 209.720 3.543 50 0 BHAARO c1ccc(C([NH2+]C2CC2)c2ccccc2)cc1 ZINC000019266039 183387465 /nfs/dbraw/zinc/38/74/65/183387465.db2.gz QUORIRVCDBZIOJ-UHFFFAOYSA-N 1 0 223.319 3.528 50 0 BHAARO CCP(=O)(CC)C[NH+](CC(C)C)CC(C)C ZINC000019300475 643041391 /nfs/dbraw/zinc/04/13/91/643041391.db2.gz NJJQGSVJYYLVAD-UHFFFAOYSA-N 1 0 247.363 3.961 50 0 BHAARO CC(C)c1ccc([C@@H](C)[NH2+]C2CC2)cc1 ZINC000019392323 167611939 /nfs/dbraw/zinc/61/19/39/167611939.db2.gz LHWQDVCVZKOCLV-LLVKDONJSA-N 1 0 203.329 3.623 50 0 BHAARO CC(C)c1ccc([C@H](C)[NH2+]C2CC2)cc1 ZINC000019392326 342947426 /nfs/dbraw/zinc/94/74/26/342947426.db2.gz LHWQDVCVZKOCLV-NSHDSACASA-N 1 0 203.329 3.623 50 0 BHAARO [NH3+][C@@H](c1ccc(F)cc1)c1ccccc1Cl ZINC000019415084 342948308 /nfs/dbraw/zinc/94/83/08/342948308.db2.gz SPLLOOKALMIBHS-ZDUSSCGKSA-N 1 0 235.689 3.527 50 0 BHAARO [NH3+][C@H](c1ccc(F)cc1)c1ccccc1Cl ZINC000019415086 342948023 /nfs/dbraw/zinc/94/80/23/342948023.db2.gz SPLLOOKALMIBHS-CYBMUJFWSA-N 1 0 235.689 3.527 50 0 BHAARO CCCC[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000019424741 371144343 /nfs/dbraw/zinc/14/43/43/371144343.db2.gz XWMATEXNOIDDRI-LLVKDONJSA-N 1 0 242.160 3.639 50 0 BHAARO CCC[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000019429783 169276621 /nfs/dbraw/zinc/27/66/21/169276621.db2.gz WNZNEAUZUUUGQG-VIFPVBQESA-N 1 0 242.160 3.510 50 0 BHAARO CCC[NH2+][C@H](C)c1cccc(Br)c1 ZINC000019429785 169287569 /nfs/dbraw/zinc/28/75/69/169287569.db2.gz WNZNEAUZUUUGQG-SECBINFHSA-N 1 0 242.160 3.510 50 0 BHAARO CCC[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000019439365 169276029 /nfs/dbraw/zinc/27/60/29/169276029.db2.gz ZTYDJHSDYLHVDA-VIFPVBQESA-N 1 0 242.160 3.510 50 0 BHAARO CCC[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000019439367 169287580 /nfs/dbraw/zinc/28/75/80/169287580.db2.gz ZTYDJHSDYLHVDA-SECBINFHSA-N 1 0 242.160 3.510 50 0 BHAARO CCC[NH2+][C@@H](C)c1ccccc1Br ZINC000019471776 169277052 /nfs/dbraw/zinc/27/70/52/169277052.db2.gz AWTQICLZELKBIH-VIFPVBQESA-N 1 0 242.160 3.510 50 0 BHAARO CCC[NH2+][C@H](C)c1ccccc1Br ZINC000019471777 169287218 /nfs/dbraw/zinc/28/72/18/169287218.db2.gz AWTQICLZELKBIH-SECBINFHSA-N 1 0 242.160 3.510 50 0 BHAARO C[C@@H]([NH2+]C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000019478385 384525337 /nfs/dbraw/zinc/52/53/37/384525337.db2.gz QHMXYJCWQPNHQC-SSDOTTSWSA-N 1 0 230.138 3.806 50 0 BHAARO C[C@H]([NH2+]C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000019478386 384525865 /nfs/dbraw/zinc/52/58/65/384525865.db2.gz QHMXYJCWQPNHQC-ZETCQYMHSA-N 1 0 230.138 3.806 50 0 BHAARO Clc1ccccc1[C@@H]1[NH2+]CCc2ccccc21 ZINC000019624656 342952493 /nfs/dbraw/zinc/95/24/93/342952493.db2.gz QLGXAXNWOPWODL-OAHLLOKOSA-N 1 0 243.737 3.575 50 0 BHAARO Clc1ccccc1[C@H]1[NH2+]CCc2ccccc21 ZINC000019624660 342952353 /nfs/dbraw/zinc/95/23/53/342952353.db2.gz QLGXAXNWOPWODL-HNNXBMFYSA-N 1 0 243.737 3.575 50 0 BHAARO Clc1cccc([C@@H]2[NH2+]CCc3ccccc32)c1 ZINC000019624665 347340358 /nfs/dbraw/zinc/34/03/58/347340358.db2.gz KWEBXVFUKFSDOI-HNNXBMFYSA-N 1 0 243.737 3.575 50 0 BHAARO Clc1cccc([C@H]2[NH2+]CCc3ccccc32)c1 ZINC000019624671 347340666 /nfs/dbraw/zinc/34/06/66/347340666.db2.gz KWEBXVFUKFSDOI-OAHLLOKOSA-N 1 0 243.737 3.575 50 0 BHAARO Clc1ccc([C@@H]2[NH2+]CCc3ccccc32)cc1 ZINC000019624675 342952233 /nfs/dbraw/zinc/95/22/33/342952233.db2.gz UIBYAOPNXNPUEU-HNNXBMFYSA-N 1 0 243.737 3.575 50 0 BHAARO Clc1ccc([C@H]2[NH2+]CCc3ccccc32)cc1 ZINC000019624679 342952435 /nfs/dbraw/zinc/95/24/35/342952435.db2.gz UIBYAOPNXNPUEU-OAHLLOKOSA-N 1 0 243.737 3.575 50 0 BHAARO CC(C)c1ccc([C@@H]2CCCC[NH2+]2)cc1 ZINC000019673251 342953213 /nfs/dbraw/zinc/95/32/13/342953213.db2.gz HARJXMGGMPBAQA-AWEZNQCLSA-N 1 0 203.329 3.625 50 0 BHAARO CC(C)c1ccc([C@H]2CCCC[NH2+]2)cc1 ZINC000019673253 167620460 /nfs/dbraw/zinc/62/04/60/167620460.db2.gz HARJXMGGMPBAQA-CQSZACIVSA-N 1 0 203.329 3.625 50 0 BHAARO c1cc2ccc(C[NH2+]C3CCCCC3)cc2[nH]1 ZINC000019737385 183376244 /nfs/dbraw/zinc/37/62/44/183376244.db2.gz OILRJBJNDOPALV-UHFFFAOYSA-N 1 0 228.339 3.590 50 0 BHAARO CC(C)c1ccccc1OCC[NH2+]C(C)(C)C ZINC000019737839 342955613 /nfs/dbraw/zinc/95/56/13/342955613.db2.gz BQFVMJZNESLVIO-UHFFFAOYSA-N 1 0 235.371 3.577 50 0 BHAARO CC(C)c1ccc(OCC[NH2+]C(C)(C)C)cc1 ZINC000019737840 167608083 /nfs/dbraw/zinc/60/80/83/167608083.db2.gz XDYCIDAKCNMUSO-UHFFFAOYSA-N 1 0 235.371 3.577 50 0 BHAARO CCCCOc1ccccc1C[NH2+]C(C)(C)C ZINC000019737845 168920467 /nfs/dbraw/zinc/92/04/67/168920467.db2.gz AATUTYUWKULLAD-UHFFFAOYSA-N 1 0 235.371 3.754 50 0 BHAARO CC(C)COc1ccccc1C[NH2+]C(C)(C)C ZINC000019737846 342955787 /nfs/dbraw/zinc/95/57/87/342955787.db2.gz XJYGRXOGFYICPL-UHFFFAOYSA-N 1 0 235.371 3.610 50 0 BHAARO CCCC[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000019737884 168869463 /nfs/dbraw/zinc/86/94/63/168869463.db2.gz QSTYEWGTFDFIAZ-UHFFFAOYSA-N 1 0 219.372 3.874 50 0 BHAARO CCCC[NH2+]Cc1ccc(OCC(C)C)cc1 ZINC000019737886 384538870 /nfs/dbraw/zinc/53/88/70/384538870.db2.gz IOZHGVDKRSBBGC-UHFFFAOYSA-N 1 0 235.371 3.611 50 0 BHAARO Cc1ccc(OCC[NH2+]C2CCCCC2)cc1C ZINC000019737917 178812830 /nfs/dbraw/zinc/81/28/30/178812830.db2.gz XWQRGHDOVMJSCR-UHFFFAOYSA-N 1 0 247.382 3.605 50 0 BHAARO Clc1ccc(CC[NH2+]C2CCCCC2)cc1 ZINC000019737918 342955790 /nfs/dbraw/zinc/95/57/90/342955790.db2.gz HXBLEGJVSWMTFU-UHFFFAOYSA-N 1 0 237.774 3.805 50 0 BHAARO CCCOc1ccccc1C[NH2+]C1CCCCC1 ZINC000019737921 169326541 /nfs/dbraw/zinc/32/65/41/169326541.db2.gz JDWPWMMGCHXLFO-UHFFFAOYSA-N 1 0 247.382 3.898 50 0 BHAARO CCCCCOc1ccccc1C[NH2+]C(C)C ZINC000019737975 342955625 /nfs/dbraw/zinc/95/56/25/342955625.db2.gz WAQVTEOEUPUBSS-UHFFFAOYSA-N 1 0 235.371 3.754 50 0 BHAARO CCCCCCOc1ccc(C[NH2+]CC)cc1 ZINC000019738107 342955709 /nfs/dbraw/zinc/95/57/09/342955709.db2.gz ZILQGOMYWXKYFM-UHFFFAOYSA-N 1 0 235.371 3.755 50 0 BHAARO CC[C@@H](C)[NH2+]CCOc1cc(C)ccc1C(C)C ZINC000019738535 342955722 /nfs/dbraw/zinc/95/57/22/342955722.db2.gz DGKPURJLTQZGON-CQSZACIVSA-N 1 0 249.398 3.885 50 0 BHAARO CC[C@H](C)[NH2+]CCOc1cc(C)ccc1C(C)C ZINC000019738536 171340346 /nfs/dbraw/zinc/34/03/46/171340346.db2.gz DGKPURJLTQZGON-AWEZNQCLSA-N 1 0 249.398 3.885 50 0 BHAARO CC[C@@H](C)[NH2+]C[C@@H](CC)Oc1ccccc1C ZINC000019738537 342955658 /nfs/dbraw/zinc/95/56/58/342955658.db2.gz ZLRXPNIPFMUIJI-ZIAGYGMSSA-N 1 0 235.371 3.541 50 0 BHAARO CC[C@H](C[NH2+][C@@H](C)CC)Oc1ccccc1C ZINC000019738538 171341020 /nfs/dbraw/zinc/34/10/20/171341020.db2.gz ZLRXPNIPFMUIJI-UONOGXRCSA-N 1 0 235.371 3.541 50 0 BHAARO CC[C@@H](C)[NH2+]C[C@H](CC)Oc1ccccc1C ZINC000019738539 384538300 /nfs/dbraw/zinc/53/83/00/384538300.db2.gz ZLRXPNIPFMUIJI-KGLIPLIRSA-N 1 0 235.371 3.541 50 0 BHAARO CC[C@H](C)[NH2+]C[C@H](CC)Oc1ccccc1C ZINC000019738540 171342054 /nfs/dbraw/zinc/34/20/54/171342054.db2.gz ZLRXPNIPFMUIJI-KBPBESRZSA-N 1 0 235.371 3.541 50 0 BHAARO CCCCOc1ccc(C[NH2+][C@@H](C)CC)cc1 ZINC000019738545 342955767 /nfs/dbraw/zinc/95/57/67/342955767.db2.gz FZLOKXSWXUYHEQ-ZDUSSCGKSA-N 1 0 235.371 3.754 50 0 BHAARO CCCCOc1ccc(C[NH2+][C@H](C)CC)cc1 ZINC000019738546 342955650 /nfs/dbraw/zinc/95/56/50/342955650.db2.gz FZLOKXSWXUYHEQ-CYBMUJFWSA-N 1 0 235.371 3.754 50 0 BHAARO CCCCOc1ccccc1C[NH2+][C@@H](C)CC ZINC000019738547 342955656 /nfs/dbraw/zinc/95/56/56/342955656.db2.gz UHFVVKQXHMOBJR-ZDUSSCGKSA-N 1 0 235.371 3.754 50 0 BHAARO CCCCOc1ccccc1C[NH2+][C@H](C)CC ZINC000019738548 342955819 /nfs/dbraw/zinc/95/58/19/342955819.db2.gz UHFVVKQXHMOBJR-CYBMUJFWSA-N 1 0 235.371 3.754 50 0 BHAARO CC[C@@H](C)[NH2+]Cc1ccc(OCCC(C)C)cc1 ZINC000019738549 342955716 /nfs/dbraw/zinc/95/57/16/342955716.db2.gz XTHNBNOVPCHQDR-CQSZACIVSA-N 1 0 249.398 4.000 50 0 BHAARO CC[C@H](C)[NH2+]Cc1ccc(OCCC(C)C)cc1 ZINC000019738550 171343510 /nfs/dbraw/zinc/34/35/10/171343510.db2.gz XTHNBNOVPCHQDR-AWEZNQCLSA-N 1 0 249.398 4.000 50 0 BHAARO CC[C@@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000019738555 342955823 /nfs/dbraw/zinc/95/58/23/342955823.db2.gz OVWFKVAMEQTEKS-MRVPVSSYSA-N 1 0 232.154 3.882 50 0 BHAARO CC[C@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000019738556 171342960 /nfs/dbraw/zinc/34/29/60/171342960.db2.gz OVWFKVAMEQTEKS-QMMMGPOBSA-N 1 0 232.154 3.882 50 0 BHAARO CC1(C)C[NH2+][C@@H](c2ccccc2)c2ccccc21 ZINC000019789179 342789248 /nfs/dbraw/zinc/78/92/48/342789248.db2.gz NLNOSMJWSNOORR-INIZCTEOSA-N 1 0 237.346 3.657 50 0 BHAARO CC1(C)C[NH2+][C@H](c2ccccc2)c2ccccc21 ZINC000019789180 342789301 /nfs/dbraw/zinc/78/93/01/342789301.db2.gz NLNOSMJWSNOORR-MRXNPFEDSA-N 1 0 237.346 3.657 50 0 BHAARO Clc1ccc(C[NH2+]CCc2ccccc2)cc1 ZINC000019797563 342958212 /nfs/dbraw/zinc/95/82/12/342958212.db2.gz PZAQHMLZCRPSNU-UHFFFAOYSA-N 1 0 245.753 3.672 50 0 BHAARO [NH3+][C@@H](c1ccccc1)c1cccc2ccccc21 ZINC000019803992 342958615 /nfs/dbraw/zinc/95/86/15/342958615.db2.gz MKYLPACDIKGXSW-KRWDZBQOSA-N 1 0 233.314 3.888 50 0 BHAARO [NH3+][C@H](c1ccccc1)c1cccc2ccccc21 ZINC000019803993 342958774 /nfs/dbraw/zinc/95/87/74/342958774.db2.gz MKYLPACDIKGXSW-QGZVFWFLSA-N 1 0 233.314 3.888 50 0 BHAARO [NH3+][C@@H](c1ccccc1)c1ccc2ccccc2c1 ZINC000019803998 342958809 /nfs/dbraw/zinc/95/88/09/342958809.db2.gz QQQHJIGKVBQYMP-KRWDZBQOSA-N 1 0 233.314 3.888 50 0 BHAARO [NH3+][C@H](c1ccccc1)c1ccc2ccccc2c1 ZINC000019803999 342958630 /nfs/dbraw/zinc/95/86/30/342958630.db2.gz QQQHJIGKVBQYMP-QGZVFWFLSA-N 1 0 233.314 3.888 50 0 BHAARO CC(C)(C)C[C@@H]([NH3+])c1ccc(Cl)cc1 ZINC000019804095 342958694 /nfs/dbraw/zinc/95/86/94/342958694.db2.gz OOXVXVVHOKQXIZ-LLVKDONJSA-N 1 0 211.736 3.776 50 0 BHAARO CC(C)(C)C[C@H]([NH3+])c1ccc(Cl)cc1 ZINC000019804096 342958852 /nfs/dbraw/zinc/95/88/52/342958852.db2.gz OOXVXVVHOKQXIZ-NSHDSACASA-N 1 0 211.736 3.776 50 0 BHAARO Cc1ccc([C@@H]([NH3+])c2ccccc2Cl)cc1 ZINC000019804203 384540407 /nfs/dbraw/zinc/54/04/07/384540407.db2.gz HRUXSIXLZIPRLH-CQSZACIVSA-N 1 0 231.726 3.697 50 0 BHAARO Cc1ccc([C@H]([NH3+])c2ccccc2Cl)cc1 ZINC000019804204 342958591 /nfs/dbraw/zinc/95/85/91/342958591.db2.gz HRUXSIXLZIPRLH-AWEZNQCLSA-N 1 0 231.726 3.697 50 0 BHAARO Cc1ccc([C@@H]([NH3+])c2ccc(F)cc2Cl)cc1 ZINC000019804221 178861675 /nfs/dbraw/zinc/86/16/75/178861675.db2.gz LHJDDAZELIIHFJ-CQSZACIVSA-N 1 0 249.716 3.836 50 0 BHAARO Cc1ccc([C@H]([NH3+])c2ccc(F)cc2Cl)cc1 ZINC000019804222 342958603 /nfs/dbraw/zinc/95/86/03/342958603.db2.gz LHJDDAZELIIHFJ-AWEZNQCLSA-N 1 0 249.716 3.836 50 0 BHAARO CCC[NH2+][C@@H](CC)c1cccc(Cl)c1 ZINC000019807389 169277687 /nfs/dbraw/zinc/27/76/87/169277687.db2.gz XRLWATIVZBEOTQ-LBPRGKRZSA-N 1 0 211.736 3.791 50 0 BHAARO CCC[NH2+][C@H](CC)c1cccc(Cl)c1 ZINC000019807390 169289294 /nfs/dbraw/zinc/28/92/94/169289294.db2.gz XRLWATIVZBEOTQ-GFCCVEGCSA-N 1 0 211.736 3.791 50 0 BHAARO CCC[NH2+][C@@H](CC)c1ccc(Cl)cc1 ZINC000019807397 169278397 /nfs/dbraw/zinc/27/83/97/169278397.db2.gz RIIODWOGSPHHIZ-LBPRGKRZSA-N 1 0 211.736 3.791 50 0 BHAARO CCC[NH2+][C@H](CC)c1ccc(Cl)cc1 ZINC000019807398 169287919 /nfs/dbraw/zinc/28/79/19/169287919.db2.gz RIIODWOGSPHHIZ-GFCCVEGCSA-N 1 0 211.736 3.791 50 0 BHAARO CCC[NH2+][C@@H](C)c1ccc(CCC)cc1 ZINC000019807426 169275948 /nfs/dbraw/zinc/27/59/48/169275948.db2.gz LXOUJLKYAUIABQ-LBPRGKRZSA-N 1 0 205.345 3.700 50 0 BHAARO CCC[NH2+][C@H](C)c1ccc(CCC)cc1 ZINC000019807427 169286687 /nfs/dbraw/zinc/28/66/87/169286687.db2.gz LXOUJLKYAUIABQ-GFCCVEGCSA-N 1 0 205.345 3.700 50 0 BHAARO CCC[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC000019807443 169275976 /nfs/dbraw/zinc/27/59/76/169275976.db2.gz DIMRZHXGJDDDTQ-LBPRGKRZSA-N 1 0 205.345 3.871 50 0 BHAARO CCC[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC000019807444 169286972 /nfs/dbraw/zinc/28/69/72/169286972.db2.gz DIMRZHXGJDDDTQ-GFCCVEGCSA-N 1 0 205.345 3.871 50 0 BHAARO CC[NH2+][C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000019808028 170148162 /nfs/dbraw/zinc/14/81/62/170148162.db2.gz BFCISJPDGDUEJG-HNNXBMFYSA-N 1 0 229.298 3.525 50 0 BHAARO CC[NH2+][C@H](c1ccccc1)c1ccc(F)cc1 ZINC000019808030 170164708 /nfs/dbraw/zinc/16/47/08/170164708.db2.gz BFCISJPDGDUEJG-OAHLLOKOSA-N 1 0 229.298 3.525 50 0 BHAARO CC[NH2+][C@@H](C)c1ccc(Cl)cc1Cl ZINC000019808043 170141669 /nfs/dbraw/zinc/14/16/69/170141669.db2.gz MNSOMGUEGGQWDK-ZETCQYMHSA-N 1 0 218.127 3.664 50 0 BHAARO CC[NH2+][C@H](C)c1ccc(Cl)cc1Cl ZINC000019808044 170159100 /nfs/dbraw/zinc/15/91/00/170159100.db2.gz MNSOMGUEGGQWDK-SSDOTTSWSA-N 1 0 218.127 3.664 50 0 BHAARO CC[C@@H](C)c1ccccc1OCC1CC[NH2+]CC1 ZINC000019808964 384542383 /nfs/dbraw/zinc/54/23/83/384542383.db2.gz MPNAGTVTENGADV-CYBMUJFWSA-N 1 0 247.382 3.579 50 0 BHAARO CC[C@H](C)c1ccccc1OCC1CC[NH2+]CC1 ZINC000019808966 384541584 /nfs/dbraw/zinc/54/15/84/384541584.db2.gz MPNAGTVTENGADV-ZDUSSCGKSA-N 1 0 247.382 3.579 50 0 BHAARO CC[C@@H](C)c1ccccc1OC[C@@H]1CCC[NH2+]C1 ZINC000019808968 170805725 /nfs/dbraw/zinc/80/57/25/170805725.db2.gz GJEKHXMYKTVSQT-ZIAGYGMSSA-N 1 0 247.382 3.579 50 0 BHAARO CC[C@H](C)c1ccccc1OC[C@@H]1CCC[NH2+]C1 ZINC000019808969 384542100 /nfs/dbraw/zinc/54/21/00/384542100.db2.gz GJEKHXMYKTVSQT-UONOGXRCSA-N 1 0 247.382 3.579 50 0 BHAARO CC[C@@H](C)c1ccccc1OC[C@H]1CCC[NH2+]C1 ZINC000019808970 384542553 /nfs/dbraw/zinc/54/25/53/384542553.db2.gz GJEKHXMYKTVSQT-KGLIPLIRSA-N 1 0 247.382 3.579 50 0 BHAARO CC[C@H](C)c1ccccc1OC[C@H]1CCC[NH2+]C1 ZINC000019808971 171412568 /nfs/dbraw/zinc/41/25/68/171412568.db2.gz GJEKHXMYKTVSQT-KBPBESRZSA-N 1 0 247.382 3.579 50 0 BHAARO CCC(C)(C)c1ccc(OC2CC[NH2+]CC2)cc1 ZINC000019810452 168305615 /nfs/dbraw/zinc/30/56/15/168305615.db2.gz IEWDCZYMOVDZNZ-UHFFFAOYSA-N 1 0 247.382 3.505 50 0 BHAARO C[C@@H]([NH2+]CCc1ccccc1)c1ccccc1 ZINC000019816835 175884609 /nfs/dbraw/zinc/88/46/09/175884609.db2.gz HKGHTDNUSWPDCJ-CQSZACIVSA-N 1 0 225.335 3.580 50 0 BHAARO C[C@H]([NH2+]CCc1ccccc1)c1ccccc1 ZINC000019816838 176854153 /nfs/dbraw/zinc/85/41/53/176854153.db2.gz HKGHTDNUSWPDCJ-AWEZNQCLSA-N 1 0 225.335 3.580 50 0 BHAARO [NH2+]=C1CCCN1c1c(Cl)cccc1Cl ZINC000019833996 181206314 /nfs/dbraw/zinc/20/63/14/181206314.db2.gz UFJMRMLCJDRDRV-UHFFFAOYSA-N 1 0 229.110 3.571 50 0 BHAARO Cc1ccc(C[NH2+]CCc2ccccc2F)s1 ZINC000019871774 342960465 /nfs/dbraw/zinc/96/04/65/342960465.db2.gz NZNHJQFNTSWMCR-UHFFFAOYSA-N 1 0 249.354 3.528 50 0 in-vitro BHAARO Cc1ccsc1C[NH2+]CCc1ccccc1F ZINC000019871781 342960313 /nfs/dbraw/zinc/96/03/13/342960313.db2.gz JOUHEJNLKLJCLO-UHFFFAOYSA-N 1 0 249.354 3.528 50 0 BHAARO Cc1ccsc1C[NH2+]CCc1ccc(F)cc1 ZINC000019871783 179547511 /nfs/dbraw/zinc/54/75/11/179547511.db2.gz DHTVXESCEUDLLP-UHFFFAOYSA-N 1 0 249.354 3.528 50 0 BHAARO C[C@@H]([NH3+])c1ccc(OC2CCCCC2)c(F)c1 ZINC000019873083 384548074 /nfs/dbraw/zinc/54/80/74/384548074.db2.gz MPXYDDQNEDBTLX-SNVBAGLBSA-N 1 0 237.318 3.557 50 0 BHAARO C[C@H]([NH3+])c1ccc(OC2CCCCC2)c(F)c1 ZINC000019873084 176776796 /nfs/dbraw/zinc/77/67/96/176776796.db2.gz MPXYDDQNEDBTLX-JTQLQIEISA-N 1 0 237.318 3.557 50 0 BHAARO C[C@@H]([NH3+])c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC000019873205 177023561 /nfs/dbraw/zinc/02/35/61/177023561.db2.gz DHHOHXYMQIMNHI-OLZOCXBDSA-N 1 0 241.334 3.846 50 0 BHAARO C[C@H]([NH3+])c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC000019873206 359968567 /nfs/dbraw/zinc/96/85/67/359968567.db2.gz DHHOHXYMQIMNHI-STQMWFEESA-N 1 0 241.334 3.846 50 0 BHAARO C[C@@H]([NH3+])c1ccc(O[C@H](C)c2ccccc2)cc1 ZINC000019873207 387143258 /nfs/dbraw/zinc/14/32/58/387143258.db2.gz DHHOHXYMQIMNHI-CHWSQXEVSA-N 1 0 241.334 3.846 50 0 BHAARO C[C@@H](Oc1ccc([C@H](C)[NH3+])cc1)c1ccccc1 ZINC000019873208 359967950 /nfs/dbraw/zinc/96/79/50/359967950.db2.gz DHHOHXYMQIMNHI-QWHCGFSZSA-N 1 0 241.334 3.846 50 0 BHAARO Cc1ccc(Oc2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000019873244 386786547 /nfs/dbraw/zinc/78/65/47/386786547.db2.gz BYALPFZCZNURCB-GFCCVEGCSA-N 1 0 227.307 3.807 50 0 BHAARO Cc1ccc(Oc2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000019873245 178820831 /nfs/dbraw/zinc/82/08/31/178820831.db2.gz BYALPFZCZNURCB-LBPRGKRZSA-N 1 0 227.307 3.807 50 0 BHAARO C[C@@H]([NH3+])c1ccc(Oc2ccc(F)cc2)cc1 ZINC000019873660 385256058 /nfs/dbraw/zinc/25/60/58/385256058.db2.gz DRVAKKWXGCYDJV-SNVBAGLBSA-N 1 0 231.270 3.638 50 0 BHAARO C[C@H]([NH3+])c1ccc(Oc2ccc(F)cc2)cc1 ZINC000019873661 343258215 /nfs/dbraw/zinc/25/82/15/343258215.db2.gz DRVAKKWXGCYDJV-JTQLQIEISA-N 1 0 231.270 3.638 50 0 BHAARO C[C@@H]([NH3+])c1ccc(Oc2ccccc2)c(F)c1 ZINC000019873666 175817586 /nfs/dbraw/zinc/81/75/86/175817586.db2.gz NQRARIZCGBWPGN-SNVBAGLBSA-N 1 0 231.270 3.638 50 0 BHAARO C[C@H]([NH3+])c1ccc(Oc2ccccc2)c(F)c1 ZINC000019873667 342960449 /nfs/dbraw/zinc/96/04/49/342960449.db2.gz NQRARIZCGBWPGN-JTQLQIEISA-N 1 0 231.270 3.638 50 0 BHAARO CCC(CC)C[NH2+][C@@H](C)c1ccccc1 ZINC000019878091 168363748 /nfs/dbraw/zinc/36/37/48/168363748.db2.gz ODFROAAFVGHWEC-LBPRGKRZSA-N 1 0 205.345 3.773 50 0 BHAARO CCC(CC)C[NH2+][C@H](C)c1ccccc1 ZINC000019878093 168365385 /nfs/dbraw/zinc/36/53/85/168365385.db2.gz ODFROAAFVGHWEC-GFCCVEGCSA-N 1 0 205.345 3.773 50 0 BHAARO CC(C)C[C@@H](C)[NH2+][C@@H](C)c1ccccc1 ZINC000019878239 384549722 /nfs/dbraw/zinc/54/97/22/384549722.db2.gz UMTFSWBNAPSMSY-OLZOCXBDSA-N 1 0 205.345 3.772 50 0 BHAARO CC(C)C[C@H](C)[NH2+][C@@H](C)c1ccccc1 ZINC000019878241 384549902 /nfs/dbraw/zinc/54/99/02/384549902.db2.gz UMTFSWBNAPSMSY-STQMWFEESA-N 1 0 205.345 3.772 50 0 BHAARO CC(C)C[C@@H](C)[NH2+][C@H](C)c1ccccc1 ZINC000019878243 384550598 /nfs/dbraw/zinc/55/05/98/384550598.db2.gz UMTFSWBNAPSMSY-CHWSQXEVSA-N 1 0 205.345 3.772 50 0 BHAARO CC(C)C[C@H](C)[NH2+][C@H](C)c1ccccc1 ZINC000019878245 384547840 /nfs/dbraw/zinc/54/78/40/384547840.db2.gz UMTFSWBNAPSMSY-QWHCGFSZSA-N 1 0 205.345 3.772 50 0 BHAARO Cc1ccc(C[NH2+]C2CCCCC2)c(C)c1 ZINC000019878844 342960849 /nfs/dbraw/zinc/96/08/49/342960849.db2.gz LYAMNWASZGRMNH-UHFFFAOYSA-N 1 0 217.356 3.726 50 0 BHAARO C[C@@H]([NH2+]C1CCCCC1)c1cccs1 ZINC000019878998 384550282 /nfs/dbraw/zinc/55/02/82/384550282.db2.gz RNGBWHJXMXMMPJ-SNVBAGLBSA-N 1 0 209.358 3.731 50 0 BHAARO C[C@H]([NH2+]C1CCCCC1)c1cccs1 ZINC000019879000 384548464 /nfs/dbraw/zinc/54/84/64/384548464.db2.gz RNGBWHJXMXMMPJ-JTQLQIEISA-N 1 0 209.358 3.731 50 0 BHAARO Cc1ccc([C@@H](C)[NH2+]C2CCCCC2)o1 ZINC000019879031 384548475 /nfs/dbraw/zinc/54/84/75/384548475.db2.gz HUNUYRAANRUHAD-LLVKDONJSA-N 1 0 207.317 3.571 50 0 BHAARO Cc1ccc([C@H](C)[NH2+]C2CCCCC2)o1 ZINC000019879033 384547933 /nfs/dbraw/zinc/54/79/33/384547933.db2.gz HUNUYRAANRUHAD-NSHDSACASA-N 1 0 207.317 3.571 50 0 BHAARO CCC(C)(C)[NH2+]Cc1ccc(C)cc1C ZINC000019879699 168299561 /nfs/dbraw/zinc/29/95/61/168299561.db2.gz OJYZTIVAWBDYQI-UHFFFAOYSA-N 1 0 205.345 3.582 50 0 BHAARO CC(C)[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000019880493 167133280 /nfs/dbraw/zinc/13/32/80/167133280.db2.gz FUFJGJCRNRLIFR-VIFPVBQESA-N 1 0 242.160 3.508 50 0 BHAARO CC(C)[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000019880496 167137948 /nfs/dbraw/zinc/13/79/48/167137948.db2.gz FUFJGJCRNRLIFR-SECBINFHSA-N 1 0 242.160 3.508 50 0 BHAARO CC(C)[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000019880498 167133266 /nfs/dbraw/zinc/13/32/66/167133266.db2.gz IVLAFEZVDOSJBO-VIFPVBQESA-N 1 0 242.160 3.508 50 0 BHAARO CC(C)[NH2+][C@H](C)c1cccc(Br)c1 ZINC000019880500 167138874 /nfs/dbraw/zinc/13/88/74/167138874.db2.gz IVLAFEZVDOSJBO-SECBINFHSA-N 1 0 242.160 3.508 50 0 BHAARO CC(C)[NH2+][C@@H](C)c1ccccc1Br ZINC000019880586 167132307 /nfs/dbraw/zinc/13/23/07/167132307.db2.gz JVQGMVCOZIUHMJ-VIFPVBQESA-N 1 0 242.160 3.508 50 0 BHAARO CC(C)[NH2+][C@H](C)c1ccccc1Br ZINC000019880588 167138478 /nfs/dbraw/zinc/13/84/78/167138478.db2.gz JVQGMVCOZIUHMJ-SECBINFHSA-N 1 0 242.160 3.508 50 0 BHAARO CC[C@@H]([NH2+]C(C)C)c1cccc(Cl)c1 ZINC000019880597 384549553 /nfs/dbraw/zinc/54/95/53/384549553.db2.gz FDKHNRYFTYNWGF-GFCCVEGCSA-N 1 0 211.736 3.789 50 0 BHAARO CC[C@H]([NH2+]C(C)C)c1cccc(Cl)c1 ZINC000019880599 342960950 /nfs/dbraw/zinc/96/09/50/342960950.db2.gz FDKHNRYFTYNWGF-LBPRGKRZSA-N 1 0 211.736 3.789 50 0 BHAARO CC[C@@H]([NH2+]C(C)C)c1ccc(Cl)cc1 ZINC000019880645 384549622 /nfs/dbraw/zinc/54/96/22/384549622.db2.gz ACPPTYCSBMCVLR-GFCCVEGCSA-N 1 0 211.736 3.789 50 0 BHAARO CC[C@H]([NH2+]C(C)C)c1ccc(Cl)cc1 ZINC000019880648 342960899 /nfs/dbraw/zinc/96/08/99/342960899.db2.gz ACPPTYCSBMCVLR-LBPRGKRZSA-N 1 0 211.736 3.789 50 0 BHAARO CCCc1ccc([C@@H](C)[NH2+]C(C)C)cc1 ZINC000019880884 342960954 /nfs/dbraw/zinc/96/09/54/342960954.db2.gz DBGXSEMHLXZYKG-GFCCVEGCSA-N 1 0 205.345 3.698 50 0 BHAARO CCCc1ccc([C@H](C)[NH2+]C(C)C)cc1 ZINC000019880886 342960932 /nfs/dbraw/zinc/96/09/32/342960932.db2.gz DBGXSEMHLXZYKG-LBPRGKRZSA-N 1 0 205.345 3.698 50 0 BHAARO CC(C)[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC000019881027 167133091 /nfs/dbraw/zinc/13/30/91/167133091.db2.gz JQOGRTFMAXVKAS-LBPRGKRZSA-N 1 0 205.345 3.869 50 0 BHAARO CC(C)[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC000019881028 167138074 /nfs/dbraw/zinc/13/80/74/167138074.db2.gz JQOGRTFMAXVKAS-GFCCVEGCSA-N 1 0 205.345 3.869 50 0 BHAARO CC[C@@H](C)[NH2+]Cc1ccccc1C(F)(F)F ZINC000019881854 170753610 /nfs/dbraw/zinc/75/36/10/170753610.db2.gz BGVHXLFJUUZGJE-SECBINFHSA-N 1 0 231.261 3.594 50 0 BHAARO CC[C@H](C)[NH2+]Cc1ccccc1C(F)(F)F ZINC000019881857 171344482 /nfs/dbraw/zinc/34/44/82/171344482.db2.gz BGVHXLFJUUZGJE-VIFPVBQESA-N 1 0 231.261 3.594 50 0 BHAARO CC[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000019882044 170755910 /nfs/dbraw/zinc/75/59/10/170755910.db2.gz YUFINJDSWJRSEH-ZJUUUORDSA-N 1 0 211.736 3.789 50 0 BHAARO CC[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000019882047 171346400 /nfs/dbraw/zinc/34/64/00/171346400.db2.gz YUFINJDSWJRSEH-UWVGGRQHSA-N 1 0 211.736 3.789 50 0 BHAARO CC[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000019882049 170758485 /nfs/dbraw/zinc/75/84/85/170758485.db2.gz YUFINJDSWJRSEH-NXEZZACHSA-N 1 0 211.736 3.789 50 0 BHAARO CC[C@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000019882051 171348091 /nfs/dbraw/zinc/34/80/91/171348091.db2.gz YUFINJDSWJRSEH-VHSXEESVSA-N 1 0 211.736 3.789 50 0 BHAARO CC[C@@H](C)[NH2+][C@@H](C)c1ccccc1Cl ZINC000019882054 170756104 /nfs/dbraw/zinc/75/61/04/170756104.db2.gz NLUOLCYBUFDXHX-ZJUUUORDSA-N 1 0 211.736 3.789 50 0 BHAARO CC[C@H](C)[NH2+][C@@H](C)c1ccccc1Cl ZINC000019882057 171345785 /nfs/dbraw/zinc/34/57/85/171345785.db2.gz NLUOLCYBUFDXHX-UWVGGRQHSA-N 1 0 211.736 3.789 50 0 BHAARO CC[C@@H](C)[NH2+][C@H](C)c1ccccc1Cl ZINC000019882059 342961131 /nfs/dbraw/zinc/96/11/31/342961131.db2.gz NLUOLCYBUFDXHX-NXEZZACHSA-N 1 0 211.736 3.789 50 0 BHAARO CC[C@H](C)[NH2+][C@H](C)c1ccccc1Cl ZINC000019882061 171348074 /nfs/dbraw/zinc/34/80/74/171348074.db2.gz NLUOLCYBUFDXHX-VHSXEESVSA-N 1 0 211.736 3.789 50 0 BHAARO CC[C@@H](C)[NH2+][C@@H](CC)c1ccc(F)cc1 ZINC000019882330 171543771 /nfs/dbraw/zinc/54/37/71/171543771.db2.gz PXMMBDAKTSSFFH-MFKMUULPSA-N 1 0 209.308 3.665 50 0 BHAARO CC[C@H](C)[NH2+][C@@H](CC)c1ccc(F)cc1 ZINC000019882333 171345981 /nfs/dbraw/zinc/34/59/81/171345981.db2.gz PXMMBDAKTSSFFH-GWCFXTLKSA-N 1 0 209.308 3.665 50 0 BHAARO CC[C@@H](C)[NH2+][C@H](CC)c1ccc(F)cc1 ZINC000019882335 170758434 /nfs/dbraw/zinc/75/84/34/170758434.db2.gz PXMMBDAKTSSFFH-ZWNOBZJWSA-N 1 0 209.308 3.665 50 0 BHAARO CC[C@@H]([NH2+][C@@H](C)CC)c1ccc(F)cc1 ZINC000019882337 171348290 /nfs/dbraw/zinc/34/82/90/171348290.db2.gz PXMMBDAKTSSFFH-GXFFZTMASA-N 1 0 209.308 3.665 50 0 BHAARO CC[C@@H](C)[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000019882510 170755705 /nfs/dbraw/zinc/75/57/05/170755705.db2.gz WVXMORHTLXNFTQ-OLZOCXBDSA-N 1 0 205.345 3.753 50 0 BHAARO CC[C@H](C)[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000019882513 171345994 /nfs/dbraw/zinc/34/59/94/171345994.db2.gz WVXMORHTLXNFTQ-STQMWFEESA-N 1 0 205.345 3.753 50 0 BHAARO CC[C@@H](C)[NH2+][C@H](C)c1ccc(C)cc1C ZINC000019882516 342961220 /nfs/dbraw/zinc/96/12/20/342961220.db2.gz WVXMORHTLXNFTQ-CHWSQXEVSA-N 1 0 205.345 3.753 50 0 BHAARO CC[C@H](C)[NH2+][C@H](C)c1ccc(C)cc1C ZINC000019882519 171348069 /nfs/dbraw/zinc/34/80/69/171348069.db2.gz WVXMORHTLXNFTQ-QWHCGFSZSA-N 1 0 205.345 3.753 50 0 BHAARO CC[C@@H](C)[NH2+][C@@H](CC)c1ccc(C)cc1 ZINC000019882600 342961165 /nfs/dbraw/zinc/96/11/65/342961165.db2.gz MWBCCKLVVNFOAT-OCCSQVGLSA-N 1 0 205.345 3.834 50 0 BHAARO CC[C@H](C)[NH2+][C@@H](CC)c1ccc(C)cc1 ZINC000019882602 171346010 /nfs/dbraw/zinc/34/60/10/171346010.db2.gz MWBCCKLVVNFOAT-JSGCOSHPSA-N 1 0 205.345 3.834 50 0 BHAARO CC[C@@H](C)[NH2+][C@H](CC)c1ccc(C)cc1 ZINC000019882603 342961187 /nfs/dbraw/zinc/96/11/87/342961187.db2.gz MWBCCKLVVNFOAT-TZMCWYRMSA-N 1 0 205.345 3.834 50 0 BHAARO CC[C@@H]([NH2+][C@@H](C)CC)c1ccc(C)cc1 ZINC000019882605 171348275 /nfs/dbraw/zinc/34/82/75/171348275.db2.gz MWBCCKLVVNFOAT-GXTWGEPZSA-N 1 0 205.345 3.834 50 0 BHAARO CC[C@@H](C)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000019882732 342961334 /nfs/dbraw/zinc/96/13/34/342961334.db2.gz IUSKLTUWUMCINR-ZJUUUORDSA-N 1 0 211.736 3.789 50 0 BHAARO CC[C@H](C)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000019882733 171346261 /nfs/dbraw/zinc/34/62/61/171346261.db2.gz IUSKLTUWUMCINR-UWVGGRQHSA-N 1 0 211.736 3.789 50 0 BHAARO CC[C@@H](C)[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000019882735 342961340 /nfs/dbraw/zinc/96/13/40/342961340.db2.gz IUSKLTUWUMCINR-NXEZZACHSA-N 1 0 211.736 3.789 50 0 BHAARO CC[C@H](C)[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000019882737 171347863 /nfs/dbraw/zinc/34/78/63/171347863.db2.gz IUSKLTUWUMCINR-VHSXEESVSA-N 1 0 211.736 3.789 50 0 BHAARO CC[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000019882809 342961266 /nfs/dbraw/zinc/96/12/66/342961266.db2.gz FUYMOULASSZQRE-OLZOCXBDSA-N 1 0 205.345 3.753 50 0 BHAARO CC[C@H](C)[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000019882812 171345852 /nfs/dbraw/zinc/34/58/52/171345852.db2.gz FUYMOULASSZQRE-STQMWFEESA-N 1 0 205.345 3.753 50 0 BHAARO CC[C@@H](C)[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000019882814 342961311 /nfs/dbraw/zinc/96/13/11/342961311.db2.gz FUYMOULASSZQRE-CHWSQXEVSA-N 1 0 205.345 3.753 50 0 BHAARO CC[C@H](C)[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000019882816 171348189 /nfs/dbraw/zinc/34/81/89/171348189.db2.gz FUYMOULASSZQRE-QWHCGFSZSA-N 1 0 205.345 3.753 50 0 BHAARO CCc1ccc([C@H](C)[NH2+][C@H](C)CC)cc1 ZINC000019882831 384549839 /nfs/dbraw/zinc/54/98/39/384549839.db2.gz SVMGUXRNBAPOHE-NEPJUHHUSA-N 1 0 205.345 3.698 50 0 BHAARO CCc1ccc([C@H](C)[NH2+][C@@H](C)CC)cc1 ZINC000019882832 171839435 /nfs/dbraw/zinc/83/94/35/171839435.db2.gz SVMGUXRNBAPOHE-RYUDHWBXSA-N 1 0 205.345 3.698 50 0 BHAARO CCc1ccc([C@@H](C)[NH2+][C@H](C)CC)cc1 ZINC000019882833 384550556 /nfs/dbraw/zinc/55/05/56/384550556.db2.gz SVMGUXRNBAPOHE-VXGBXAGGSA-N 1 0 205.345 3.698 50 0 BHAARO CCc1ccc([C@@H](C)[NH2+][C@@H](C)CC)cc1 ZINC000019882835 384547756 /nfs/dbraw/zinc/54/77/56/384547756.db2.gz SVMGUXRNBAPOHE-NWDGAFQWSA-N 1 0 205.345 3.698 50 0 BHAARO CCC[C@@H]([NH2+][C@@H](C)CC)c1ccccc1 ZINC000019882883 169401998 /nfs/dbraw/zinc/40/19/98/169401998.db2.gz YQSJOTJBUNGYHT-GXTWGEPZSA-N 1 0 205.345 3.916 50 0 BHAARO CCC[C@H]([NH2+][C@@H](C)CC)c1ccccc1 ZINC000019882884 169512825 /nfs/dbraw/zinc/51/28/25/169512825.db2.gz YQSJOTJBUNGYHT-JSGCOSHPSA-N 1 0 205.345 3.916 50 0 BHAARO CCC[C@@H]([NH2+][C@H](C)CC)c1ccccc1 ZINC000019882886 384547809 /nfs/dbraw/zinc/54/78/09/384547809.db2.gz YQSJOTJBUNGYHT-TZMCWYRMSA-N 1 0 205.345 3.916 50 0 BHAARO CCC[C@H]([NH2+][C@H](C)CC)c1ccccc1 ZINC000019882888 342961257 /nfs/dbraw/zinc/96/12/57/342961257.db2.gz YQSJOTJBUNGYHT-OCCSQVGLSA-N 1 0 205.345 3.916 50 0 BHAARO CC(C)C[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000019883018 384550130 /nfs/dbraw/zinc/55/01/30/384550130.db2.gz QOFYNRYDWODZDY-JTQLQIEISA-N 1 0 211.736 3.647 50 0 BHAARO CC(C)C[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000019883019 167014151 /nfs/dbraw/zinc/01/41/51/167014151.db2.gz QOFYNRYDWODZDY-SNVBAGLBSA-N 1 0 211.736 3.647 50 0 BHAARO CC(C)C[NH2+][C@@H](C)c1ccccc1Cl ZINC000019883020 167011226 /nfs/dbraw/zinc/01/12/26/167011226.db2.gz AMPFDKPDUZCDIJ-JTQLQIEISA-N 1 0 211.736 3.647 50 0 BHAARO CC(C)C[NH2+][C@H](C)c1ccccc1Cl ZINC000019883021 167013652 /nfs/dbraw/zinc/01/36/52/167013652.db2.gz AMPFDKPDUZCDIJ-SNVBAGLBSA-N 1 0 211.736 3.647 50 0 BHAARO CC[C@@H]([NH2+]CC(C)C)c1ccc(F)cc1 ZINC000019883107 170891254 /nfs/dbraw/zinc/89/12/54/170891254.db2.gz ULSXCAIHMDRCSW-CYBMUJFWSA-N 1 0 209.308 3.522 50 0 BHAARO CC[C@H]([NH2+]CC(C)C)c1ccc(F)cc1 ZINC000019883108 342961208 /nfs/dbraw/zinc/96/12/08/342961208.db2.gz ULSXCAIHMDRCSW-ZDUSSCGKSA-N 1 0 209.308 3.522 50 0 BHAARO Cc1ccc([C@H](C)[NH2+]CC(C)C)c(C)c1 ZINC000019883151 384550495 /nfs/dbraw/zinc/55/04/95/384550495.db2.gz ZXSWHXYELNNDLM-ZDUSSCGKSA-N 1 0 205.345 3.610 50 0 BHAARO Cc1ccc([C@@H](C)[NH2+]CC(C)C)c(C)c1 ZINC000019883153 342961185 /nfs/dbraw/zinc/96/11/85/342961185.db2.gz ZXSWHXYELNNDLM-CYBMUJFWSA-N 1 0 205.345 3.610 50 0 BHAARO CC[C@@H]([NH2+]CC(C)C)c1ccc(C)cc1 ZINC000019883178 384549758 /nfs/dbraw/zinc/54/97/58/384549758.db2.gz CQOFNAVXNZAQLO-CQSZACIVSA-N 1 0 205.345 3.692 50 0 BHAARO CC[C@H]([NH2+]CC(C)C)c1ccc(C)cc1 ZINC000019883179 342961177 /nfs/dbraw/zinc/96/11/77/342961177.db2.gz CQOFNAVXNZAQLO-AWEZNQCLSA-N 1 0 205.345 3.692 50 0 BHAARO CC(C)C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000019883238 384548211 /nfs/dbraw/zinc/54/82/11/384548211.db2.gz MHJIIDPTPOWCHE-JTQLQIEISA-N 1 0 211.736 3.647 50 0 BHAARO CC(C)C[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000019883239 167013911 /nfs/dbraw/zinc/01/39/11/167013911.db2.gz MHJIIDPTPOWCHE-SNVBAGLBSA-N 1 0 211.736 3.647 50 0 BHAARO Cc1ccc([C@H](C)[NH2+]CC(C)C)cc1C ZINC000019883264 342961160 /nfs/dbraw/zinc/96/11/60/342961160.db2.gz QDNDXYDFXZNMEO-ZDUSSCGKSA-N 1 0 205.345 3.610 50 0 BHAARO Cc1ccc([C@@H](C)[NH2+]CC(C)C)cc1C ZINC000019883265 342961126 /nfs/dbraw/zinc/96/11/26/342961126.db2.gz QDNDXYDFXZNMEO-CYBMUJFWSA-N 1 0 205.345 3.610 50 0 BHAARO CCc1ccc([C@@H](C)[NH2+]CC(C)C)cc1 ZINC000019883272 384549237 /nfs/dbraw/zinc/54/92/37/384549237.db2.gz CZZQPUQFONLVJQ-GFCCVEGCSA-N 1 0 205.345 3.556 50 0 BHAARO CCc1ccc([C@H](C)[NH2+]CC(C)C)cc1 ZINC000019883274 384549524 /nfs/dbraw/zinc/54/95/24/384549524.db2.gz CZZQPUQFONLVJQ-LBPRGKRZSA-N 1 0 205.345 3.556 50 0 BHAARO FC(F)(F)c1ccccc1C[NH2+]C1CCCC1 ZINC000019883326 384549816 /nfs/dbraw/zinc/54/98/16/384549816.db2.gz VDZOYKXKTRHXGF-UHFFFAOYSA-N 1 0 243.272 3.738 50 0 BHAARO Cc1ccc([C@@H](C)[NH2+]C2CCCC2)cc1 ZINC000019883393 384548015 /nfs/dbraw/zinc/54/80/15/384548015.db2.gz RQMSOBDQLZQXHJ-GFCCVEGCSA-N 1 0 203.329 3.588 50 0 BHAARO Cc1ccc([C@H](C)[NH2+]C2CCCC2)cc1 ZINC000019883394 384549415 /nfs/dbraw/zinc/54/94/15/384549415.db2.gz RQMSOBDQLZQXHJ-LBPRGKRZSA-N 1 0 203.329 3.588 50 0 BHAARO CC[C@@H]([NH2+]C1CCCC1)c1ccccc1 ZINC000019883395 384548585 /nfs/dbraw/zinc/54/85/85/384548585.db2.gz RDLGVEMHZFKLHC-CQSZACIVSA-N 1 0 203.329 3.670 50 0 BHAARO CC[C@H]([NH2+]C1CCCC1)c1ccccc1 ZINC000019883397 342961138 /nfs/dbraw/zinc/96/11/38/342961138.db2.gz RDLGVEMHZFKLHC-AWEZNQCLSA-N 1 0 203.329 3.670 50 0 BHAARO C[C@@H]([NH2+]C1CCCC1)c1ccc(Cl)cc1 ZINC000019883405 384549373 /nfs/dbraw/zinc/54/93/73/384549373.db2.gz LPILMMBWXWBIHP-SNVBAGLBSA-N 1 0 223.747 3.933 50 0 BHAARO C[C@H]([NH2+]C1CCCC1)c1ccc(Cl)cc1 ZINC000019883407 384550319 /nfs/dbraw/zinc/55/03/19/384550319.db2.gz LPILMMBWXWBIHP-JTQLQIEISA-N 1 0 223.747 3.933 50 0 BHAARO Cc1ccccc1[C@@H](C)[NH2+]C1CCCC1 ZINC000019883539 179320248 /nfs/dbraw/zinc/32/02/48/179320248.db2.gz CHCIEYYELKXXRQ-GFCCVEGCSA-N 1 0 203.329 3.588 50 0 BHAARO Cc1ccccc1[C@H](C)[NH2+]C1CCCC1 ZINC000019883540 179337532 /nfs/dbraw/zinc/33/75/32/179337532.db2.gz CHCIEYYELKXXRQ-LBPRGKRZSA-N 1 0 203.329 3.588 50 0 BHAARO C[C@@H]([NH2+]C1CCCC1)c1cccc(Cl)c1 ZINC000019883623 175860511 /nfs/dbraw/zinc/86/05/11/175860511.db2.gz HCZUZZWYUXBOAI-SNVBAGLBSA-N 1 0 223.747 3.933 50 0 BHAARO C[C@H]([NH2+]C1CCCC1)c1cccc(Cl)c1 ZINC000019883625 384548155 /nfs/dbraw/zinc/54/81/55/384548155.db2.gz HCZUZZWYUXBOAI-JTQLQIEISA-N 1 0 223.747 3.933 50 0 BHAARO CCc1ccc([C@@H](C)[NH2+]C2CCCC2)cc1 ZINC000019883656 384549675 /nfs/dbraw/zinc/54/96/75/384549675.db2.gz UGZUGMJYDRJTRA-GFCCVEGCSA-N 1 0 217.356 3.842 50 0 BHAARO CCc1ccc([C@H](C)[NH2+]C2CCCC2)cc1 ZINC000019883658 384548055 /nfs/dbraw/zinc/54/80/55/384548055.db2.gz UGZUGMJYDRJTRA-LBPRGKRZSA-N 1 0 217.356 3.842 50 0 BHAARO Cc1ccc([C@@H](C)[NH2+]C2CCCC2)s1 ZINC000019883669 384548793 /nfs/dbraw/zinc/54/87/93/384548793.db2.gz AQGXRQVTYRWPIF-SNVBAGLBSA-N 1 0 209.358 3.650 50 0 BHAARO Cc1ccc([C@H](C)[NH2+]C2CCCC2)s1 ZINC000019883670 384550588 /nfs/dbraw/zinc/55/05/88/384550588.db2.gz AQGXRQVTYRWPIF-JTQLQIEISA-N 1 0 209.358 3.650 50 0 BHAARO CCC(CC)[NH2+]Cc1ccc(C)cc1C ZINC000019883701 168389418 /nfs/dbraw/zinc/38/94/18/168389418.db2.gz OASJXIWBLUMZBD-UHFFFAOYSA-N 1 0 205.345 3.582 50 0 BHAARO CCC(CC)[NH2+]Cc1ccc(Cl)cc1 ZINC000019883717 168390192 /nfs/dbraw/zinc/39/01/92/168390192.db2.gz NKFQYHXJWAQCRM-UHFFFAOYSA-N 1 0 211.736 3.618 50 0 BHAARO CCc1ccc(C[NH2+]C(CC)CC)cc1 ZINC000019883744 384553676 /nfs/dbraw/zinc/55/36/76/384553676.db2.gz LJJDYGPPLCTJNN-UHFFFAOYSA-N 1 0 205.345 3.527 50 0 BHAARO CCC(CC)[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000019883832 168391646 /nfs/dbraw/zinc/39/16/46/168391646.db2.gz BUEYRWDGLAUXBH-LBPRGKRZSA-N 1 0 205.345 3.834 50 0 BHAARO CCC(CC)[NH2+][C@H](C)c1ccc(C)cc1 ZINC000019883834 168392329 /nfs/dbraw/zinc/39/23/29/168392329.db2.gz BUEYRWDGLAUXBH-GFCCVEGCSA-N 1 0 205.345 3.834 50 0 BHAARO CCC(CC)[NH2+][C@@H](CC)c1ccccc1 ZINC000019883836 168390897 /nfs/dbraw/zinc/39/08/97/168390897.db2.gz ZQZCXONKZHTZQD-AWEZNQCLSA-N 1 0 205.345 3.916 50 0 BHAARO CCC(CC)[NH2+][C@H](CC)c1ccccc1 ZINC000019883838 168392782 /nfs/dbraw/zinc/39/27/82/168392782.db2.gz ZQZCXONKZHTZQD-CQSZACIVSA-N 1 0 205.345 3.916 50 0 BHAARO CCC(CC)[NH2+][C@@H](C)c1ccccc1C ZINC000019883970 168390682 /nfs/dbraw/zinc/39/06/82/168390682.db2.gz SMLJEMASAGIAJO-LBPRGKRZSA-N 1 0 205.345 3.834 50 0 BHAARO CCC(CC)[NH2+][C@H](C)c1ccccc1C ZINC000019883971 168392794 /nfs/dbraw/zinc/39/27/94/168392794.db2.gz SMLJEMASAGIAJO-GFCCVEGCSA-N 1 0 205.345 3.834 50 0 BHAARO CCC(CC)[NH2+]Cc1c(F)cccc1Cl ZINC000019884041 168388346 /nfs/dbraw/zinc/38/83/46/168388346.db2.gz CQBUXPSAVALBFT-UHFFFAOYSA-N 1 0 229.726 3.757 50 0 BHAARO CCC(CC)[NH2+]Cc1cccc(Cl)c1 ZINC000019884045 168389394 /nfs/dbraw/zinc/38/93/94/168389394.db2.gz YSDLYHWFPRBXSH-UHFFFAOYSA-N 1 0 211.736 3.618 50 0 BHAARO CCC(CC)[NH2+][C@@H](C)c1cccc(F)c1 ZINC000019884056 168391718 /nfs/dbraw/zinc/39/17/18/168391718.db2.gz CNYAVSIANHOCNQ-JTQLQIEISA-N 1 0 209.308 3.665 50 0 BHAARO CCC(CC)[NH2+][C@H](C)c1cccc(F)c1 ZINC000019884057 168392415 /nfs/dbraw/zinc/39/24/15/168392415.db2.gz CNYAVSIANHOCNQ-SNVBAGLBSA-N 1 0 209.308 3.665 50 0 BHAARO CCC(CC)[NH2+][C@@H](C)c1ccc(C)s1 ZINC000019884073 168390946 /nfs/dbraw/zinc/39/09/46/168390946.db2.gz DZPHJMNFYFQVES-JTQLQIEISA-N 1 0 211.374 3.896 50 0 BHAARO CCC(CC)[NH2+][C@H](C)c1ccc(C)s1 ZINC000019884074 168392375 /nfs/dbraw/zinc/39/23/75/168392375.db2.gz DZPHJMNFYFQVES-SNVBAGLBSA-N 1 0 211.374 3.896 50 0 BHAARO Cc1ccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)o1 ZINC000019885970 342961538 /nfs/dbraw/zinc/96/15/38/342961538.db2.gz VCDBAEPFVXZEQQ-UHFFFAOYSA-N 1 0 245.366 3.646 50 0 BHAARO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]Cc2ccccc2)o1 ZINC000019899466 525341822 /nfs/dbraw/zinc/34/18/22/525341822.db2.gz LNNCGKDOQXMEIR-DOMZBBRYSA-N 1 0 241.334 3.693 50 0 BHAARO C[C@H]1C[C@@H]1c1ccc(C[NH2+]Cc2ccccc2)o1 ZINC000019899467 177351677 /nfs/dbraw/zinc/35/16/77/177351677.db2.gz LNNCGKDOQXMEIR-WFASDCNBSA-N 1 0 241.334 3.693 50 0 BHAARO C[C@@H]1C[C@H]1c1ccc(C[NH2+]Cc2ccccc2)o1 ZINC000019899468 385361216 /nfs/dbraw/zinc/36/12/16/385361216.db2.gz LNNCGKDOQXMEIR-IUODEOHRSA-N 1 0 241.334 3.693 50 0 BHAARO C[C@H]1C[C@H]1c1ccc(C[NH2+]Cc2ccccc2)o1 ZINC000019899469 524971160 /nfs/dbraw/zinc/97/11/60/524971160.db2.gz LNNCGKDOQXMEIR-SWLSCSKDSA-N 1 0 241.334 3.693 50 0 BHAARO C[C@@H]([NH2+]Cc1ccccc1)c1cccs1 ZINC000019899506 342961524 /nfs/dbraw/zinc/96/15/24/342961524.db2.gz QUUMHQDUGIQJST-LLVKDONJSA-N 1 0 217.337 3.599 50 0 BHAARO C[C@H]([NH2+]Cc1ccccc1)c1cccs1 ZINC000019899507 384553602 /nfs/dbraw/zinc/55/36/02/384553602.db2.gz QUUMHQDUGIQJST-NSHDSACASA-N 1 0 217.337 3.599 50 0 BHAARO c1ccc(C[NH2+][C@@H]2CCCc3ccccc32)cc1 ZINC000019899684 384553347 /nfs/dbraw/zinc/55/33/47/384553347.db2.gz DKUMMNJHNQSBLG-QGZVFWFLSA-N 1 0 237.346 3.854 50 0 BHAARO c1ccc(C[NH2+][C@H]2CCCc3ccccc32)cc1 ZINC000019899685 384552525 /nfs/dbraw/zinc/55/25/25/384552525.db2.gz DKUMMNJHNQSBLG-KRWDZBQOSA-N 1 0 237.346 3.854 50 0 BHAARO CCCCC[NH2+][C@@H](CC)c1ccccc1 ZINC000019901317 342962233 /nfs/dbraw/zinc/96/22/33/342962233.db2.gz UAUFAUKCNJYKHU-AWEZNQCLSA-N 1 0 205.345 3.918 50 0 BHAARO CCCCC[NH2+][C@H](CC)c1ccccc1 ZINC000019901319 342962089 /nfs/dbraw/zinc/96/20/89/342962089.db2.gz UAUFAUKCNJYKHU-CQSZACIVSA-N 1 0 205.345 3.918 50 0 BHAARO CCCCC[NH2+][C@@H](C)c1ccccc1C ZINC000019901438 342962034 /nfs/dbraw/zinc/96/20/34/342962034.db2.gz IEVPDEFDARAYFD-ZDUSSCGKSA-N 1 0 205.345 3.836 50 0 BHAARO CCCCC[NH2+][C@H](C)c1ccccc1C ZINC000019901440 342962116 /nfs/dbraw/zinc/96/21/16/342962116.db2.gz IEVPDEFDARAYFD-CYBMUJFWSA-N 1 0 205.345 3.836 50 0 BHAARO CCCCC[NH2+][C@@H](C)c1cccc(F)c1 ZINC000019901508 342961925 /nfs/dbraw/zinc/96/19/25/342961925.db2.gz QTGXNKFEDZHIHC-NSHDSACASA-N 1 0 209.308 3.667 50 0 BHAARO CCCCC[NH2+][C@H](C)c1cccc(F)c1 ZINC000019901510 342962076 /nfs/dbraw/zinc/96/20/76/342962076.db2.gz QTGXNKFEDZHIHC-LLVKDONJSA-N 1 0 209.308 3.667 50 0 BHAARO CCCCC[NH2+][C@@H](C)c1ccc(C)s1 ZINC000019901525 342961990 /nfs/dbraw/zinc/96/19/90/342961990.db2.gz VXQLCTRDVDFNSR-NSHDSACASA-N 1 0 211.374 3.897 50 0 BHAARO CCCCC[NH2+][C@H](C)c1ccc(C)s1 ZINC000019901527 168721083 /nfs/dbraw/zinc/72/10/83/168721083.db2.gz VXQLCTRDVDFNSR-LLVKDONJSA-N 1 0 211.374 3.897 50 0 BHAARO CCCC[NH2+]Cc1cccc2ccccc21 ZINC000019906911 168871680 /nfs/dbraw/zinc/87/16/80/168871680.db2.gz LYKFMDTWWPVRBV-UHFFFAOYSA-N 1 0 213.324 3.730 50 0 BHAARO CCCC[NH2+]Cc1ccccc1C(F)(F)F ZINC000019906915 168870644 /nfs/dbraw/zinc/87/06/44/168870644.db2.gz DPMZPHXQTMRWSP-UHFFFAOYSA-N 1 0 231.261 3.595 50 0 BHAARO CCCC[NH2+]Cc1c(C)cc(C)cc1C ZINC000019906918 384556033 /nfs/dbraw/zinc/55/60/33/384556033.db2.gz OZNKBFLONVELOW-UHFFFAOYSA-N 1 0 205.345 3.502 50 0 BHAARO CCCC[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000019906968 168873928 /nfs/dbraw/zinc/87/39/28/168873928.db2.gz GGKLPXKCXJCPRL-JTQLQIEISA-N 1 0 211.736 3.791 50 0 BHAARO CCCC[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000019906969 384557343 /nfs/dbraw/zinc/55/73/43/384557343.db2.gz GGKLPXKCXJCPRL-SNVBAGLBSA-N 1 0 211.736 3.791 50 0 BHAARO CCCC[NH2+][C@@H](CC)c1ccc(F)cc1 ZINC000019907030 168874455 /nfs/dbraw/zinc/87/44/55/168874455.db2.gz SKQDHTHKMLHXRX-ZDUSSCGKSA-N 1 0 209.308 3.667 50 0 BHAARO CCCC[NH2+][C@H](CC)c1ccc(F)cc1 ZINC000019907031 168876357 /nfs/dbraw/zinc/87/63/57/168876357.db2.gz SKQDHTHKMLHXRX-CYBMUJFWSA-N 1 0 209.308 3.667 50 0 BHAARO CCCC[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000019907061 384555495 /nfs/dbraw/zinc/55/54/95/384555495.db2.gz IMCXZBCUVDPOBF-ZDUSSCGKSA-N 1 0 205.345 3.754 50 0 BHAARO CCCC[NH2+][C@H](C)c1ccc(C)cc1C ZINC000019907062 384557366 /nfs/dbraw/zinc/55/73/66/384557366.db2.gz IMCXZBCUVDPOBF-CYBMUJFWSA-N 1 0 205.345 3.754 50 0 BHAARO CCCC[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000019907123 384555613 /nfs/dbraw/zinc/55/56/13/384555613.db2.gz WPSMKIJRTGPONS-JTQLQIEISA-N 1 0 211.736 3.791 50 0 BHAARO CCCC[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000019907124 384555254 /nfs/dbraw/zinc/55/52/54/384555254.db2.gz WPSMKIJRTGPONS-SNVBAGLBSA-N 1 0 211.736 3.791 50 0 BHAARO CCCC[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000019907140 384557583 /nfs/dbraw/zinc/55/75/83/384557583.db2.gz WBBOECBQGJEYTK-ZDUSSCGKSA-N 1 0 205.345 3.754 50 0 BHAARO CCCC[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000019907141 168876390 /nfs/dbraw/zinc/87/63/90/168876390.db2.gz WBBOECBQGJEYTK-CYBMUJFWSA-N 1 0 205.345 3.754 50 0 BHAARO CCCC[NH2+][C@@H](C)c1ccc(CC)cc1 ZINC000019907146 384555991 /nfs/dbraw/zinc/55/59/91/384555991.db2.gz ROVKLHFGQXTOJI-LBPRGKRZSA-N 1 0 205.345 3.700 50 0 BHAARO CCCC[NH2+][C@H](C)c1ccc(CC)cc1 ZINC000019907147 384555865 /nfs/dbraw/zinc/55/58/65/384555865.db2.gz ROVKLHFGQXTOJI-GFCCVEGCSA-N 1 0 205.345 3.700 50 0 BHAARO CCCC[NH2+][C@@H](CCC)c1ccccc1 ZINC000019907166 384555557 /nfs/dbraw/zinc/55/55/57/384555557.db2.gz SWTDLLIUKJJLRF-AWEZNQCLSA-N 1 0 205.345 3.918 50 0 BHAARO CCCC[NH2+][C@H](CCC)c1ccccc1 ZINC000019907167 384555962 /nfs/dbraw/zinc/55/59/62/384555962.db2.gz SWTDLLIUKJJLRF-CQSZACIVSA-N 1 0 205.345 3.918 50 0 BHAARO Cc1cccc(C[NH2+]Cc2ccccc2Cl)c1 ZINC000019908174 179095774 /nfs/dbraw/zinc/09/57/74/179095774.db2.gz TUBFVMVHABQYBK-UHFFFAOYSA-N 1 0 245.753 3.938 50 0 BHAARO C[C@@H]([NH2+]Cc1ccccc1Cl)c1cccnc1 ZINC000019908221 342962810 /nfs/dbraw/zinc/96/28/10/342962810.db2.gz ROVRXVUFKCRLFA-LLVKDONJSA-N 1 0 246.741 3.586 50 0 BHAARO C[C@H]([NH2+]Cc1ccccc1Cl)c1cccnc1 ZINC000019908222 384557251 /nfs/dbraw/zinc/55/72/51/384557251.db2.gz ROVRXVUFKCRLFA-NSHDSACASA-N 1 0 246.741 3.586 50 0 BHAARO CCC(CC)[NH2+]Cc1ccccc1Cl ZINC000019908229 168390313 /nfs/dbraw/zinc/39/03/13/168390313.db2.gz VOCPFNVGFNYEKY-UHFFFAOYSA-N 1 0 211.736 3.618 50 0 BHAARO C[N@@H+]1Cc2ccccc2[C@@H]2CCc3ccccc3[C@@H]21 ZINC000019908774 173201735 /nfs/dbraw/zinc/20/17/35/173201735.db2.gz RKUPAUHKGCQAHB-ROUUACIJSA-N 1 0 249.357 3.903 50 0 BHAARO C[N@@H+]1Cc2ccccc2[C@H]2CCc3ccccc3[C@@H]21 ZINC000019908776 173201254 /nfs/dbraw/zinc/20/12/54/173201254.db2.gz RKUPAUHKGCQAHB-MSOLQXFVSA-N 1 0 249.357 3.903 50 0 BHAARO Cc1ccc(C[NH2+]C2CCCCCCC2)o1 ZINC000019909948 342962921 /nfs/dbraw/zinc/96/29/21/342962921.db2.gz RTRCVFMAXXFNLS-UHFFFAOYSA-N 1 0 221.344 3.791 50 0 BHAARO CC[C@@H]([NH2+]CCC(C)C)c1ccccc1 ZINC000019911917 384556978 /nfs/dbraw/zinc/55/69/78/384556978.db2.gz NESGFLWPANKREB-CQSZACIVSA-N 1 0 205.345 3.773 50 0 BHAARO CC[C@H]([NH2+]CCC(C)C)c1ccccc1 ZINC000019911918 342962893 /nfs/dbraw/zinc/96/28/93/342962893.db2.gz NESGFLWPANKREB-AWEZNQCLSA-N 1 0 205.345 3.773 50 0 BHAARO Cc1ccccc1[C@H](C)[NH2+]CCC(C)C ZINC000019912066 179337610 /nfs/dbraw/zinc/33/76/10/179337610.db2.gz HSIVWLWDULCCPF-ZDUSSCGKSA-N 1 0 205.345 3.692 50 0 BHAARO Cc1ccccc1[C@@H](C)[NH2+]CCC(C)C ZINC000019912068 179319799 /nfs/dbraw/zinc/31/97/99/179319799.db2.gz HSIVWLWDULCCPF-CYBMUJFWSA-N 1 0 205.345 3.692 50 0 BHAARO Cc1ccc([C@H](C)[NH2+]CCC(C)C)s1 ZINC000019912162 384560317 /nfs/dbraw/zinc/56/03/17/384560317.db2.gz UWRCNJAHCORFOZ-NSHDSACASA-N 1 0 211.374 3.753 50 0 BHAARO Cc1ccc([C@@H](C)[NH2+]CCC(C)C)s1 ZINC000019912164 384559820 /nfs/dbraw/zinc/55/98/20/384559820.db2.gz UWRCNJAHCORFOZ-LLVKDONJSA-N 1 0 211.374 3.753 50 0 BHAARO CC1CCC([NH2+]CCc2ccccc2F)CC1 ZINC000019912609 168163382 /nfs/dbraw/zinc/16/33/82/168163382.db2.gz CPJDJRVTFZGNOJ-UHFFFAOYSA-N 1 0 235.346 3.537 50 0 BHAARO Fc1ccccc1CC[NH2+]C1CCCCCC1 ZINC000019912611 181011566 /nfs/dbraw/zinc/01/15/66/181011566.db2.gz DEENZHVXWQRRMY-UHFFFAOYSA-N 1 0 235.346 3.681 50 0 BHAARO Clc1cccc(C[NH2+]CCc2ccccc2)c1 ZINC000019919996 180590460 /nfs/dbraw/zinc/59/04/60/180590460.db2.gz QLYBDRQJNQUXTM-UHFFFAOYSA-N 1 0 245.753 3.672 50 0 BHAARO C[C@H]([NH2+][C@H]1CCCC[C@H]1C)c1cccs1 ZINC000019945333 342963995 /nfs/dbraw/zinc/96/39/95/342963995.db2.gz SRCMJGUTQIPMEY-WOPDTQHZSA-N 1 0 223.385 3.977 50 0 BHAARO C[C@H]([NH2+][C@H]1CCCC[C@@H]1C)c1cccs1 ZINC000019945336 342963855 /nfs/dbraw/zinc/96/38/55/342963855.db2.gz SRCMJGUTQIPMEY-SRVKXCTJSA-N 1 0 223.385 3.977 50 0 BHAARO C[C@H]([NH2+][C@@H]1CCCC[C@H]1C)c1cccs1 ZINC000019945339 176895058 /nfs/dbraw/zinc/89/50/58/176895058.db2.gz SRCMJGUTQIPMEY-GRYCIOLGSA-N 1 0 223.385 3.977 50 0 BHAARO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C)c1cccs1 ZINC000019945342 384560585 /nfs/dbraw/zinc/56/05/85/384560585.db2.gz SRCMJGUTQIPMEY-SDDRHHMPSA-N 1 0 223.385 3.977 50 0 BHAARO c1csc(CC[NH2+]C2CCCCCC2)c1 ZINC000019948507 342964334 /nfs/dbraw/zinc/96/43/34/342964334.db2.gz GFBJFXHRQSTSGN-UHFFFAOYSA-N 1 0 223.385 3.603 50 0 BHAARO CCCC(CCC)[NH2+]CCc1cccs1 ZINC000019949436 342964302 /nfs/dbraw/zinc/96/43/02/342964302.db2.gz TWPUAUVDTZVQDU-UHFFFAOYSA-N 1 0 225.401 3.849 50 0 BHAARO C[C@@H]([NH2+]Cc1ccccn1)c1cccc(Cl)c1 ZINC000019957885 356861928 /nfs/dbraw/zinc/86/19/28/356861928.db2.gz XINBJFIWWHCAIO-LLVKDONJSA-N 1 0 246.741 3.586 50 0 BHAARO Cc1ccc(C[NH2+]Cc2cccc(C)c2)cc1 ZINC000019962343 342964632 /nfs/dbraw/zinc/96/46/32/342964632.db2.gz GAUHJNPDLZBQRK-UHFFFAOYSA-N 1 0 225.335 3.593 50 0 BHAARO Cc1ccc(C[NH2+][C@@H]2CCc3ccccc32)cc1 ZINC000019962492 342965213 /nfs/dbraw/zinc/96/52/13/342965213.db2.gz CJGZTQKNZKSUDH-QGZVFWFLSA-N 1 0 237.346 3.772 50 0 BHAARO Cc1ccc(C[NH2+][C@H]2CCc3ccccc32)cc1 ZINC000019962494 342965364 /nfs/dbraw/zinc/96/53/64/342965364.db2.gz CJGZTQKNZKSUDH-KRWDZBQOSA-N 1 0 237.346 3.772 50 0 BHAARO CCOCCC[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000019962749 170380534 /nfs/dbraw/zinc/38/05/34/170380534.db2.gz PNDPCKWGUVKTPK-UHFFFAOYSA-N 1 0 249.398 3.500 50 0 BHAARO CCc1ccc([C@@H]([NH3+])c2ccccc2Cl)cc1 ZINC000019968535 384567184 /nfs/dbraw/zinc/56/71/84/384567184.db2.gz ZVCZYSGHYXPOLF-OAHLLOKOSA-N 1 0 245.753 3.951 50 0 BHAARO CCc1ccc([C@H]([NH3+])c2ccccc2Cl)cc1 ZINC000019968536 384566400 /nfs/dbraw/zinc/56/64/00/384566400.db2.gz ZVCZYSGHYXPOLF-HNNXBMFYSA-N 1 0 245.753 3.951 50 0 BHAARO CC(C)(C)[C@@H]([NH3+])c1cccc(C(F)(F)F)c1 ZINC000019968776 633804026 /nfs/dbraw/zinc/80/40/26/633804026.db2.gz SVGAMGMYCJJVEZ-JTQLQIEISA-N 1 0 231.261 3.751 50 0 BHAARO CC(C)(C)[C@H]([NH3+])c1cccc(C(F)(F)F)c1 ZINC000019968777 633805073 /nfs/dbraw/zinc/80/50/73/633805073.db2.gz SVGAMGMYCJJVEZ-SNVBAGLBSA-N 1 0 231.261 3.751 50 0 BHAARO CC(C)C[C@@H]([NH3+])c1cccc(C(F)(F)F)c1 ZINC000019968812 188282246 /nfs/dbraw/zinc/28/22/46/188282246.db2.gz RCXBZUFVURRCHY-LLVKDONJSA-N 1 0 231.261 3.751 50 0 BHAARO CC(C)C[C@H]([NH3+])c1cccc(C(F)(F)F)c1 ZINC000019968813 342965322 /nfs/dbraw/zinc/96/53/22/342965322.db2.gz RCXBZUFVURRCHY-NSHDSACASA-N 1 0 231.261 3.751 50 0 BHAARO CCC[C@@H]([NH3+])c1cccc(C(F)(F)F)c1 ZINC000019968838 169393997 /nfs/dbraw/zinc/39/39/97/169393997.db2.gz ZVSDXABGZDMDIE-SNVBAGLBSA-N 1 0 217.234 3.505 50 0 BHAARO CCC[C@H]([NH3+])c1cccc(C(F)(F)F)c1 ZINC000019968839 169504931 /nfs/dbraw/zinc/50/49/31/169504931.db2.gz ZVSDXABGZDMDIE-JTQLQIEISA-N 1 0 217.234 3.505 50 0 BHAARO CCCOc1ccc(C[NH2+]CCC(C)C)cc1 ZINC000019978793 169318639 /nfs/dbraw/zinc/31/86/39/169318639.db2.gz CGLMRUNKKYQHIP-UHFFFAOYSA-N 1 0 235.371 3.611 50 0 BHAARO CC(C)[C@@H](C)[NH2+]CCc1ccc(Cl)cc1 ZINC000019978851 167381378 /nfs/dbraw/zinc/38/13/78/167381378.db2.gz URSWOUIUMSOWDU-LLVKDONJSA-N 1 0 225.763 3.517 50 0 BHAARO CC(C)[C@H](C)[NH2+]CCc1ccc(Cl)cc1 ZINC000019978855 342965652 /nfs/dbraw/zinc/96/56/52/342965652.db2.gz URSWOUIUMSOWDU-NSHDSACASA-N 1 0 225.763 3.517 50 0 BHAARO CCCCC[NH2+]Cc1ccc(C)cc1C ZINC000019980773 342965413 /nfs/dbraw/zinc/96/54/13/342965413.db2.gz RNJZVPDWGXUFSR-UHFFFAOYSA-N 1 0 205.345 3.583 50 0 BHAARO Cc1ccccc1[C@H](C)[NH2+][C@H](C)C(C)C ZINC000019991895 179338269 /nfs/dbraw/zinc/33/82/69/179338269.db2.gz YTCZFWQVQWNTDN-OLZOCXBDSA-N 1 0 205.345 3.690 50 0 BHAARO Cc1ccccc1[C@H](C)[NH2+][C@@H](C)C(C)C ZINC000019991898 179339948 /nfs/dbraw/zinc/33/99/48/179339948.db2.gz YTCZFWQVQWNTDN-STQMWFEESA-N 1 0 205.345 3.690 50 0 BHAARO Cc1ccccc1[C@@H](C)[NH2+][C@H](C)C(C)C ZINC000019991901 179321182 /nfs/dbraw/zinc/32/11/82/179321182.db2.gz YTCZFWQVQWNTDN-CHWSQXEVSA-N 1 0 205.345 3.690 50 0 BHAARO Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)C(C)C ZINC000019991904 179321411 /nfs/dbraw/zinc/32/14/11/179321411.db2.gz YTCZFWQVQWNTDN-QWHCGFSZSA-N 1 0 205.345 3.690 50 0 BHAARO CCCOc1ccc(C[NH2+]C(C)(C)CC)cc1 ZINC000020001331 169318300 /nfs/dbraw/zinc/31/83/00/169318300.db2.gz HYDGEFSSMLIPIF-UHFFFAOYSA-N 1 0 235.371 3.754 50 0 BHAARO CCC[NH2+]Cc1ccc(OCCC(C)C)cc1 ZINC000020011332 169268112 /nfs/dbraw/zinc/26/81/12/169268112.db2.gz UTIWIDBAQPRLLA-UHFFFAOYSA-N 1 0 235.371 3.611 50 0 BHAARO CC(C)CC[C@@H]([NH3+])c1ccc(Cl)cc1 ZINC000020015565 166894885 /nfs/dbraw/zinc/89/48/85/166894885.db2.gz QHNPJGHTRDIJKF-GFCCVEGCSA-N 1 0 211.736 3.776 50 0 BHAARO CC(C)CC[C@H]([NH3+])c1ccc(Cl)cc1 ZINC000020015567 342966276 /nfs/dbraw/zinc/96/62/76/342966276.db2.gz QHNPJGHTRDIJKF-LBPRGKRZSA-N 1 0 211.736 3.776 50 0 BHAARO CCC(CC)C[NH2+]Cc1cccc(C)c1 ZINC000020015662 168362325 /nfs/dbraw/zinc/36/23/25/168362325.db2.gz CJERLCGKBSGXRO-UHFFFAOYSA-N 1 0 205.345 3.521 50 0 BHAARO Fc1ccc(C[NH2+]C2CCCC2)c(Cl)c1 ZINC000020037014 342967030 /nfs/dbraw/zinc/96/70/30/342967030.db2.gz DKKRHOIERQZPEI-UHFFFAOYSA-N 1 0 227.710 3.511 50 0 BHAARO Fc1ccc(C[NH2+]CCCc2ccccc2)cc1 ZINC000020052310 180967767 /nfs/dbraw/zinc/96/77/67/180967767.db2.gz FZLZYEIGPOGYIR-UHFFFAOYSA-N 1 0 243.325 3.548 50 0 BHAARO CC[N@H+](Cc1ccccc1)C1CCCCC1 ZINC000020058007 342967396 /nfs/dbraw/zinc/96/73/96/342967396.db2.gz HHOMJYDQQUYWDE-UHFFFAOYSA-N 1 0 217.356 3.841 50 0 BHAARO CCC[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000020078303 169275658 /nfs/dbraw/zinc/27/56/58/169275658.db2.gz KDPXEUMEQHSDSL-QMMMGPOBSA-N 1 0 215.699 3.540 50 0 BHAARO CCC[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000020078305 169287396 /nfs/dbraw/zinc/28/73/96/169287396.db2.gz KDPXEUMEQHSDSL-MRVPVSSYSA-N 1 0 215.699 3.540 50 0 BHAARO CC(C)[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000020078356 167132732 /nfs/dbraw/zinc/13/27/32/167132732.db2.gz SRFBMOGIGUWXSH-QMMMGPOBSA-N 1 0 215.699 3.538 50 0 BHAARO CC(C)[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000020078358 167138455 /nfs/dbraw/zinc/13/84/55/167138455.db2.gz SRFBMOGIGUWXSH-MRVPVSSYSA-N 1 0 215.699 3.538 50 0 BHAARO CC[C@@H](C)[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000020078363 170755848 /nfs/dbraw/zinc/75/58/48/170755848.db2.gz XFMMUYZZHCKSNA-BDAKNGLRSA-N 1 0 229.726 3.928 50 0 BHAARO CC[C@H](C)[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000020078366 171346209 /nfs/dbraw/zinc/34/62/09/171346209.db2.gz XFMMUYZZHCKSNA-IUCAKERBSA-N 1 0 229.726 3.928 50 0 BHAARO CC[C@@H](C)[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000020078368 342967903 /nfs/dbraw/zinc/96/79/03/342967903.db2.gz XFMMUYZZHCKSNA-RKDXNWHRSA-N 1 0 229.726 3.928 50 0 BHAARO CC[C@H](C)[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000020078370 171348146 /nfs/dbraw/zinc/34/81/46/171348146.db2.gz XFMMUYZZHCKSNA-DTWKUNHWSA-N 1 0 229.726 3.928 50 0 BHAARO CC(C)C[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000020078372 342968140 /nfs/dbraw/zinc/96/81/40/342968140.db2.gz PFHMQFCHNUBZTG-VIFPVBQESA-N 1 0 229.726 3.786 50 0 BHAARO CC(C)C[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000020078374 167014091 /nfs/dbraw/zinc/01/40/91/167014091.db2.gz PFHMQFCHNUBZTG-SECBINFHSA-N 1 0 229.726 3.786 50 0 BHAARO CCCC[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000020078419 384574822 /nfs/dbraw/zinc/57/48/22/384574822.db2.gz NUGQUMQWFZYVSX-VIFPVBQESA-N 1 0 229.726 3.930 50 0 BHAARO CCCC[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000020078420 384574040 /nfs/dbraw/zinc/57/40/40/384574040.db2.gz NUGQUMQWFZYVSX-SECBINFHSA-N 1 0 229.726 3.930 50 0 BHAARO Cc1cc([C@@H](C)[NH2+]Cc2ccco2)c(C)s1 ZINC000020084096 178229020 /nfs/dbraw/zinc/22/90/20/178229020.db2.gz SRBMBSKDSGJZSZ-SNVBAGLBSA-N 1 0 235.352 3.809 50 0 BHAARO Cc1cc([C@H](C)[NH2+]Cc2ccco2)c(C)s1 ZINC000020084099 178252445 /nfs/dbraw/zinc/25/24/45/178252445.db2.gz SRBMBSKDSGJZSZ-JTQLQIEISA-N 1 0 235.352 3.809 50 0 BHAARO CCCOc1ccc(C[NH2+]C2CCCC2)cc1 ZINC000020085923 169318803 /nfs/dbraw/zinc/31/88/03/169318803.db2.gz FMVWKRDODBFLAG-UHFFFAOYSA-N 1 0 233.355 3.508 50 0 BHAARO Cc1ccc(C[NH2+]CCC2=CCCCC2)o1 ZINC000020093629 342969256 /nfs/dbraw/zinc/96/92/56/342969256.db2.gz DFGVVYRFYJCQKK-UHFFFAOYSA-N 1 0 219.328 3.568 50 0 BHAARO c1cc(C[NH2+]CCC2=CCCCC2)cs1 ZINC000020093633 384575636 /nfs/dbraw/zinc/57/56/36/384575636.db2.gz GACMNQFLODWNOW-UHFFFAOYSA-N 1 0 221.369 3.728 50 0 BHAARO Cc1ccc(C[NH2+]CCc2ccc(Cl)cc2)o1 ZINC000020122543 342969852 /nfs/dbraw/zinc/96/98/52/342969852.db2.gz SUCMFJFNOXNXNS-UHFFFAOYSA-N 1 0 249.741 3.574 50 0 BHAARO c1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CCc2ccccc21 ZINC000020129801 384583121 /nfs/dbraw/zinc/58/31/21/384583121.db2.gz QWQGGLGOFRUHPH-QZTJIDSGSA-N 1 0 249.357 3.951 50 0 BHAARO c1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCc2ccccc21 ZINC000020129803 183446415 /nfs/dbraw/zinc/44/64/15/183446415.db2.gz QWQGGLGOFRUHPH-ROUUACIJSA-N 1 0 249.357 3.951 50 0 BHAARO CCC(CC)[NH2+]C[C@@H](C)c1ccccc1 ZINC000020132956 168388787 /nfs/dbraw/zinc/38/87/87/168388787.db2.gz WRASRZCXIQTYDC-GFCCVEGCSA-N 1 0 205.345 3.568 50 0 BHAARO CCC(CC)[NH2+]C[C@H](C)c1ccccc1 ZINC000020132959 168388602 /nfs/dbraw/zinc/38/86/02/168388602.db2.gz WRASRZCXIQTYDC-LBPRGKRZSA-N 1 0 205.345 3.568 50 0 BHAARO Cc1cccc(C[NH2+]Cc2cccc(C)c2)c1 ZINC000020133878 179093394 /nfs/dbraw/zinc/09/33/94/179093394.db2.gz XMBOJPWGJXIBMM-UHFFFAOYSA-N 1 0 225.335 3.593 50 0 BHAARO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(C)c2)o1 ZINC000020134092 179100496 /nfs/dbraw/zinc/10/04/96/179100496.db2.gz VNQOPJURKPLLBG-CYBMUJFWSA-N 1 0 229.323 3.747 50 0 BHAARO Cc1ccc([C@H](C)[NH2+]Cc2cccc(C)c2)o1 ZINC000020134096 179098950 /nfs/dbraw/zinc/09/89/50/179098950.db2.gz VNQOPJURKPLLBG-ZDUSSCGKSA-N 1 0 229.323 3.747 50 0 BHAARO C[C@@H](C[NH2+]Cc1cccs1)c1ccccc1 ZINC000020137000 342971483 /nfs/dbraw/zinc/97/14/83/342971483.db2.gz VANQQPZPIAFVAU-LBPRGKRZSA-N 1 0 231.364 3.641 50 0 BHAARO C[C@H](C[NH2+]Cc1cccs1)c1ccccc1 ZINC000020137005 176682477 /nfs/dbraw/zinc/68/24/77/176682477.db2.gz VANQQPZPIAFVAU-GFCCVEGCSA-N 1 0 231.364 3.641 50 0 BHAARO C[C@@H](CCc1ccccc1)[NH2+]Cc1ccsc1 ZINC000020138300 342971344 /nfs/dbraw/zinc/97/13/44/342971344.db2.gz AITZJIIGABQHON-ZDUSSCGKSA-N 1 0 245.391 3.859 50 0 BHAARO C[C@H](CCc1ccccc1)[NH2+]Cc1ccsc1 ZINC000020138303 342971416 /nfs/dbraw/zinc/97/14/16/342971416.db2.gz AITZJIIGABQHON-CYBMUJFWSA-N 1 0 245.391 3.859 50 0 BHAARO C[C@@H]([NH2+]Cc1cccs1)c1cccs1 ZINC000020139044 342971567 /nfs/dbraw/zinc/97/15/67/342971567.db2.gz CYDFIWHBAAWJLU-SECBINFHSA-N 1 0 223.366 3.660 50 0 BHAARO C[C@H]([NH2+]Cc1cccs1)c1cccs1 ZINC000020139047 384581775 /nfs/dbraw/zinc/58/17/75/384581775.db2.gz CYDFIWHBAAWJLU-VIFPVBQESA-N 1 0 223.366 3.660 50 0 BHAARO Cc1ccc([C@@H](C)[NH2+]Cc2cccs2)o1 ZINC000020139104 384581988 /nfs/dbraw/zinc/58/19/88/384581988.db2.gz SWQWPHKTQYYVAS-SNVBAGLBSA-N 1 0 221.325 3.500 50 0 BHAARO Cc1ccc([C@H](C)[NH2+]Cc2cccs2)o1 ZINC000020139107 384581919 /nfs/dbraw/zinc/58/19/19/384581919.db2.gz SWQWPHKTQYYVAS-JTQLQIEISA-N 1 0 221.325 3.500 50 0 BHAARO CCCC1CCC([NH2+]Cc2cccnc2)CC1 ZINC000020141294 342971717 /nfs/dbraw/zinc/97/17/17/342971717.db2.gz SPTIVWHEFNZHQF-UHFFFAOYSA-N 1 0 232.371 3.530 50 0 BHAARO Cc1ccccc1C[NH2+][C@@H](C)CCc1ccco1 ZINC000020144518 179282198 /nfs/dbraw/zinc/28/21/98/179282198.db2.gz QDDOMJKMOWVJDN-AWEZNQCLSA-N 1 0 243.350 3.699 50 0 BHAARO Cc1ccccc1C[NH2+][C@H](C)CCc1ccco1 ZINC000020144520 179284395 /nfs/dbraw/zinc/28/43/95/179284395.db2.gz QDDOMJKMOWVJDN-CQSZACIVSA-N 1 0 243.350 3.699 50 0 BHAARO Cc1cccc(C[NH2+][C@@H](C)CCc2ccco2)c1 ZINC000020144530 179095607 /nfs/dbraw/zinc/09/56/07/179095607.db2.gz IZDCLNQBHWVIOT-AWEZNQCLSA-N 1 0 243.350 3.699 50 0 BHAARO Cc1cccc(C[NH2+][C@H](C)CCc2ccco2)c1 ZINC000020144532 179100100 /nfs/dbraw/zinc/10/01/00/179100100.db2.gz IZDCLNQBHWVIOT-CQSZACIVSA-N 1 0 243.350 3.699 50 0 BHAARO C[C@@H](CCc1ccco1)[NH2+][C@@H](C)c1ccccc1 ZINC000020144677 356486565 /nfs/dbraw/zinc/48/65/65/356486565.db2.gz LTBGGRGNLAIHRK-KBPBESRZSA-N 1 0 243.350 3.952 50 0 BHAARO C[C@H](CCc1ccco1)[NH2+][C@@H](C)c1ccccc1 ZINC000020144679 356486629 /nfs/dbraw/zinc/48/66/29/356486629.db2.gz LTBGGRGNLAIHRK-KGLIPLIRSA-N 1 0 243.350 3.952 50 0 BHAARO C[C@@H]([NH2+][C@@H](C)CCc1ccco1)c1ccccc1 ZINC000020144681 356486999 /nfs/dbraw/zinc/48/69/99/356486999.db2.gz LTBGGRGNLAIHRK-UONOGXRCSA-N 1 0 243.350 3.952 50 0 BHAARO C[C@H](CCc1ccco1)[NH2+][C@H](C)c1ccccc1 ZINC000020144683 356486647 /nfs/dbraw/zinc/48/66/47/356486647.db2.gz LTBGGRGNLAIHRK-ZIAGYGMSSA-N 1 0 243.350 3.952 50 0 BHAARO Fc1cccc(C[NH2+]Cc2ccc(Cl)cc2)c1 ZINC000020209584 342977302 /nfs/dbraw/zinc/97/73/02/342977302.db2.gz AHACGNKYKJBOSR-UHFFFAOYSA-N 1 0 249.716 3.769 50 0 BHAARO CC(C)c1ccccc1OCC[C@@H]1CCCC[NH2+]1 ZINC000020221509 167643457 /nfs/dbraw/zinc/64/34/57/167643457.db2.gz XMXJNPCUAKKFHV-AWEZNQCLSA-N 1 0 247.382 3.721 50 0 BHAARO CC(C)c1ccccc1OCC[C@H]1CCCC[NH2+]1 ZINC000020221510 342978092 /nfs/dbraw/zinc/97/80/92/342978092.db2.gz XMXJNPCUAKKFHV-CQSZACIVSA-N 1 0 247.382 3.721 50 0 BHAARO CC(C)c1cccc(OCC[C@@H]2CCCC[NH2+]2)c1 ZINC000020221511 167635087 /nfs/dbraw/zinc/63/50/87/167635087.db2.gz KGAKWYJRPZYQGH-HNNXBMFYSA-N 1 0 247.382 3.721 50 0 BHAARO CC(C)c1cccc(OCC[C@H]2CCCC[NH2+]2)c1 ZINC000020221512 342978174 /nfs/dbraw/zinc/97/81/74/342978174.db2.gz KGAKWYJRPZYQGH-OAHLLOKOSA-N 1 0 247.382 3.721 50 0 BHAARO CC(C)c1ccc(OCC[C@@H]2CCCC[NH2+]2)cc1 ZINC000020221513 167608898 /nfs/dbraw/zinc/60/88/98/167608898.db2.gz LKDLWKWRIKJHSE-HNNXBMFYSA-N 1 0 247.382 3.721 50 0 BHAARO CC(C)c1ccc(OCC[C@H]2CCCC[NH2+]2)cc1 ZINC000020221514 167609387 /nfs/dbraw/zinc/60/93/87/167609387.db2.gz LKDLWKWRIKJHSE-OAHLLOKOSA-N 1 0 247.382 3.721 50 0 BHAARO Cc1cc(C)c(C)c(OCC[C@@H]2CCCC[NH2+]2)c1 ZINC000020221515 177853140 /nfs/dbraw/zinc/85/31/40/177853140.db2.gz VZXKOGXTLBKUAJ-HNNXBMFYSA-N 1 0 247.382 3.523 50 0 BHAARO Cc1cc(C)c(C)c(OCC[C@H]2CCCC[NH2+]2)c1 ZINC000020221516 384603056 /nfs/dbraw/zinc/60/30/56/384603056.db2.gz VZXKOGXTLBKUAJ-OAHLLOKOSA-N 1 0 247.382 3.523 50 0 BHAARO CCCc1ccc(OCC[C@@H]2CCCC[NH2+]2)cc1 ZINC000020221519 342977905 /nfs/dbraw/zinc/97/79/05/342977905.db2.gz IDDHXIDOUBABIT-HNNXBMFYSA-N 1 0 247.382 3.550 50 0 BHAARO CCCc1ccc(OCC[C@H]2CCCC[NH2+]2)cc1 ZINC000020221520 342978133 /nfs/dbraw/zinc/97/81/33/342978133.db2.gz IDDHXIDOUBABIT-OAHLLOKOSA-N 1 0 247.382 3.550 50 0 BHAARO Cc1ccc(N2Cc3ccccc3C2=[NH2+])cc1C ZINC000020255076 342978991 /nfs/dbraw/zinc/97/89/91/342978991.db2.gz OGYYCCXUOVNURD-UHFFFAOYSA-N 1 0 236.318 3.649 50 0 BHAARO C[NH2+]C1(c2nc3ccccc3s2)CCCCC1 ZINC000020280946 173322278 /nfs/dbraw/zinc/32/22/78/173322278.db2.gz PAXRBDBIOGLGAS-UHFFFAOYSA-N 1 0 246.379 3.675 50 0 BHAARO CC(C)[C@@H](C)[NH2+]Cc1c(F)cccc1Cl ZINC000020305325 167382012 /nfs/dbraw/zinc/38/20/12/167382012.db2.gz UKZPKBHDZVOBKN-SECBINFHSA-N 1 0 229.726 3.613 50 0 BHAARO CC(C)[C@H](C)[NH2+]Cc1c(F)cccc1Cl ZINC000020305326 342980942 /nfs/dbraw/zinc/98/09/42/342980942.db2.gz UKZPKBHDZVOBKN-VIFPVBQESA-N 1 0 229.726 3.613 50 0 BHAARO C[C@@H]([NH3+])c1ccc(-c2ccc(F)cc2)cc1 ZINC000020391107 397963773 /nfs/dbraw/zinc/96/37/73/397963773.db2.gz OMNRENFPOKMOLN-SNVBAGLBSA-N 1 0 215.271 3.512 50 0 BHAARO C[C@H]([NH3+])c1ccc(-c2ccc(F)cc2)cc1 ZINC000020391110 397963978 /nfs/dbraw/zinc/96/39/78/397963978.db2.gz OMNRENFPOKMOLN-JTQLQIEISA-N 1 0 215.271 3.512 50 0 BHAARO CC(C)CN1C(=[NH2+])SCCC12CCCCC2 ZINC000020423805 347446059 /nfs/dbraw/zinc/44/60/59/347446059.db2.gz BCQPKAKDCCVYRP-UHFFFAOYSA-N 1 0 240.416 3.719 50 0 BHAARO CC(C)c1ccc(C2(C[NH3+])CCCC2)cc1 ZINC000020429543 167592264 /nfs/dbraw/zinc/59/22/64/167592264.db2.gz ARDIFXXOUXZMBD-UHFFFAOYSA-N 1 0 217.356 3.581 50 0 BHAARO C[C@@H](C[NH2+]Cc1ccccc1)c1ccccc1 ZINC000020476654 342986654 /nfs/dbraw/zinc/98/66/54/342986654.db2.gz NMNJZQSNCOHLDV-AWEZNQCLSA-N 1 0 225.335 3.580 50 0 BHAARO C[C@H](C[NH2+]Cc1ccccc1)c1ccccc1 ZINC000020476656 342986549 /nfs/dbraw/zinc/98/65/49/342986549.db2.gz NMNJZQSNCOHLDV-CQSZACIVSA-N 1 0 225.335 3.580 50 0 BHAARO C[C@@H](C[NH2+]Cc1ccc(F)cc1)c1ccccc1 ZINC000020476797 342986837 /nfs/dbraw/zinc/98/68/37/342986837.db2.gz ZXZNZMCTSAOYND-ZDUSSCGKSA-N 1 0 243.325 3.719 50 0 BHAARO C[C@H](C[NH2+]Cc1ccc(F)cc1)c1ccccc1 ZINC000020476799 342986572 /nfs/dbraw/zinc/98/65/72/342986572.db2.gz ZXZNZMCTSAOYND-CYBMUJFWSA-N 1 0 243.325 3.719 50 0 BHAARO CC[C@@H]([NH2+][C@@H](C)C(C)C)c1ccccc1 ZINC000020523285 342989476 /nfs/dbraw/zinc/98/94/76/342989476.db2.gz PBCHIRJGYSQWII-GXTWGEPZSA-N 1 0 205.345 3.772 50 0 BHAARO CC[C@H]([NH2+][C@@H](C)C(C)C)c1ccccc1 ZINC000020523287 342989636 /nfs/dbraw/zinc/98/96/36/342989636.db2.gz PBCHIRJGYSQWII-JSGCOSHPSA-N 1 0 205.345 3.772 50 0 BHAARO CC[C@@H]([NH2+][C@H](C)C(C)C)c1ccccc1 ZINC000020523289 170911306 /nfs/dbraw/zinc/91/13/06/170911306.db2.gz PBCHIRJGYSQWII-TZMCWYRMSA-N 1 0 205.345 3.772 50 0 BHAARO CC[C@H]([NH2+][C@H](C)C(C)C)c1ccccc1 ZINC000020523290 342989344 /nfs/dbraw/zinc/98/93/44/342989344.db2.gz PBCHIRJGYSQWII-OCCSQVGLSA-N 1 0 205.345 3.772 50 0 BHAARO Cc1cccc(C[NH2+]C2CCCCCC2)c1 ZINC000020548335 179090048 /nfs/dbraw/zinc/09/00/48/179090048.db2.gz SXSJVPZKEJYHNH-UHFFFAOYSA-N 1 0 217.356 3.807 50 0 BHAARO CC[C@@H](C)[C@@H](C)[NH2+]Cc1cccc(C)c1 ZINC000020551741 397966607 /nfs/dbraw/zinc/96/66/07/397966607.db2.gz YEOYMWRIZTVFHN-CHWSQXEVSA-N 1 0 205.345 3.519 50 0 BHAARO CC[C@H](C)[C@@H](C)[NH2+]Cc1cccc(C)c1 ZINC000020551742 171365519 /nfs/dbraw/zinc/36/55/19/171365519.db2.gz YEOYMWRIZTVFHN-QWHCGFSZSA-N 1 0 205.345 3.519 50 0 BHAARO CC[C@@H](C)[C@H](C)[NH2+]Cc1cccc(C)c1 ZINC000020551743 397966562 /nfs/dbraw/zinc/96/65/62/397966562.db2.gz YEOYMWRIZTVFHN-OLZOCXBDSA-N 1 0 205.345 3.519 50 0 BHAARO CC[C@H](C)[C@H](C)[NH2+]Cc1cccc(C)c1 ZINC000020551744 171390007 /nfs/dbraw/zinc/39/00/07/171390007.db2.gz YEOYMWRIZTVFHN-STQMWFEESA-N 1 0 205.345 3.519 50 0 BHAARO Cc1ccc([C@@H]([NH3+])Cc2ccccc2)cc1C ZINC000020587386 384623652 /nfs/dbraw/zinc/62/36/52/384623652.db2.gz NIHHNNTWIYOYRE-INIZCTEOSA-N 1 0 225.335 3.546 50 0 BHAARO Cc1ccc([C@H]([NH3+])Cc2ccccc2)cc1C ZINC000020587388 342991768 /nfs/dbraw/zinc/99/17/68/342991768.db2.gz NIHHNNTWIYOYRE-MRXNPFEDSA-N 1 0 225.335 3.546 50 0 BHAARO CC(C)c1ccc(OCCC2CC[NH2+]CC2)cc1 ZINC000020593588 167608940 /nfs/dbraw/zinc/60/89/40/167608940.db2.gz VMYHNMTZVVPKRV-UHFFFAOYSA-N 1 0 247.382 3.579 50 0 BHAARO CC(C)c1cccc(OCCC2CC[NH2+]CC2)c1 ZINC000020593589 342991664 /nfs/dbraw/zinc/99/16/64/342991664.db2.gz FOEOELFBDBAOLK-UHFFFAOYSA-N 1 0 247.382 3.579 50 0 BHAARO CC(C)c1ccccc1OCCC1CC[NH2+]CC1 ZINC000020593603 342991751 /nfs/dbraw/zinc/99/17/51/342991751.db2.gz OKBKCQRRSIDIDF-UHFFFAOYSA-N 1 0 247.382 3.579 50 0 BHAARO Fc1ccc(CCCC[NH+]2CCCCC2)cc1 ZINC000020858305 643067562 /nfs/dbraw/zinc/06/75/62/643067562.db2.gz JMIOQSDATDRYMK-UHFFFAOYSA-N 1 0 235.346 3.634 50 0 BHAARO CC(C)=CCC[C@H](C)[NH2+]CCCc1ccccn1 ZINC000020868131 388786008 /nfs/dbraw/zinc/78/60/08/388786008.db2.gz ZLPRKPQZCJMINH-HNNXBMFYSA-N 1 0 246.398 3.739 50 0 BHAARO CC(C)=CCC[C@@H](C)[NH2+]CCCc1ccccn1 ZINC000020868135 388785943 /nfs/dbraw/zinc/78/59/43/388785943.db2.gz ZLPRKPQZCJMINH-OAHLLOKOSA-N 1 0 246.398 3.739 50 0 BHAARO C[NH2+]Cc1ccc(-c2ccc(C)c(Cl)c2)o1 ZINC000020876589 173388051 /nfs/dbraw/zinc/38/80/51/173388051.db2.gz OSJACKMGSREKJF-UHFFFAOYSA-N 1 0 235.714 3.628 50 0 BHAARO CCCOc1ccccc1C[NH2+]C1CCCC1 ZINC000020924362 169326875 /nfs/dbraw/zinc/32/68/75/169326875.db2.gz DJJYLKDQNMCKQQ-UHFFFAOYSA-N 1 0 233.355 3.508 50 0 BHAARO CCCCC[NH2+]Cc1ccccc1OCCC ZINC000020924438 342998816 /nfs/dbraw/zinc/99/88/16/342998816.db2.gz MGACDDQHBBTZEB-UHFFFAOYSA-N 1 0 235.371 3.755 50 0 BHAARO CCCOc1ccccc1C[NH2+]CCC(C)C ZINC000020924660 169326550 /nfs/dbraw/zinc/32/65/50/169326550.db2.gz USQGSYZMQSQFOR-UHFFFAOYSA-N 1 0 235.371 3.611 50 0 BHAARO CCCOc1ccccc1C[NH2+]C(C)(C)CC ZINC000020924666 169326982 /nfs/dbraw/zinc/32/69/82/169326982.db2.gz KEOJTKGPRCSMPH-UHFFFAOYSA-N 1 0 235.371 3.754 50 0 BHAARO CCCOc1cccc(C[NH2+]C2CCCCC2)c1 ZINC000020924703 169325124 /nfs/dbraw/zinc/32/51/24/169325124.db2.gz RUXLPDJGHMBOMP-UHFFFAOYSA-N 1 0 247.382 3.898 50 0 BHAARO CCCOc1cccc(C[NH2+]C2CCCC2)c1 ZINC000020924780 169325240 /nfs/dbraw/zinc/32/52/40/169325240.db2.gz CIBLRMCBLAPIEL-UHFFFAOYSA-N 1 0 233.355 3.508 50 0 BHAARO CCCCC[NH2+]Cc1cccc(OCCC)c1 ZINC000020924864 342998456 /nfs/dbraw/zinc/99/84/56/342998456.db2.gz BRXPPEQURLZEQU-UHFFFAOYSA-N 1 0 235.371 3.755 50 0 BHAARO CCCOc1cccc(C[NH2+]CCC(C)C)c1 ZINC000020925118 169324986 /nfs/dbraw/zinc/32/49/86/169324986.db2.gz UVDZQVCBQQEIBW-UHFFFAOYSA-N 1 0 235.371 3.611 50 0 BHAARO CCCOc1cccc(C[NH2+]C(C)(C)CC)c1 ZINC000020925123 169325296 /nfs/dbraw/zinc/32/52/96/169325296.db2.gz JDUSKCNGEZURKU-UHFFFAOYSA-N 1 0 235.371 3.754 50 0 BHAARO CCCOc1ccc(C[NH2+]C2CCCCC2)cc1 ZINC000020925147 169318849 /nfs/dbraw/zinc/31/88/49/169318849.db2.gz RIBKUMNLCBTCRN-UHFFFAOYSA-N 1 0 247.382 3.898 50 0 BHAARO CCCCC[NH2+]Cc1ccc(OCCC)cc1 ZINC000020925202 342998469 /nfs/dbraw/zinc/99/84/69/342998469.db2.gz WDZVIZVBGWYERD-UHFFFAOYSA-N 1 0 235.371 3.755 50 0 BHAARO CCC[NH2+]Cc1ccc(OCCC)c(Cl)c1 ZINC000020925518 169267577 /nfs/dbraw/zinc/26/75/77/169267577.db2.gz CHOMPHBIKOHZME-UHFFFAOYSA-N 1 0 241.762 3.628 50 0 BHAARO CCCOc1ccc(C[NH2+]C(C)C)cc1Cl ZINC000020925665 169318807 /nfs/dbraw/zinc/31/88/07/169318807.db2.gz KFLCKPCWSWHEMV-UHFFFAOYSA-N 1 0 241.762 3.627 50 0 BHAARO CCCOc1c(Cl)cc(C[NH2+]C)cc1Cl ZINC000020926344 169313878 /nfs/dbraw/zinc/31/38/78/169313878.db2.gz NAHQSZSCSUGNLX-UHFFFAOYSA-N 1 0 248.153 3.502 50 0 BHAARO CCCCC[NH2+]Cc1ccc(OC)c(Cl)c1 ZINC000020927958 342999056 /nfs/dbraw/zinc/99/90/56/342999056.db2.gz OETJOWJPFIAKDO-UHFFFAOYSA-N 1 0 241.762 3.628 50 0 BHAARO CCC(C)(C)[NH2+]Cc1ccc(OC)c(Cl)c1 ZINC000020928186 168299470 /nfs/dbraw/zinc/29/94/70/168299470.db2.gz FENCCTXTZGHQQJ-UHFFFAOYSA-N 1 0 241.762 3.627 50 0 BHAARO CCC[NH2+]Cc1cc(Cl)c(OC)c(Cl)c1 ZINC000020928372 169265835 /nfs/dbraw/zinc/26/58/35/169265835.db2.gz JCYDTLGLAUYPAX-UHFFFAOYSA-N 1 0 248.153 3.502 50 0 BHAARO COc1c(Cl)cc(C[NH2+]C(C)C)cc1Cl ZINC000020928561 174928763 /nfs/dbraw/zinc/92/87/63/174928763.db2.gz KFMPEWSNRCDTAO-UHFFFAOYSA-N 1 0 248.153 3.500 50 0 BHAARO CCC[NH2+]Cc1cc(Cl)ccc1OCCC ZINC000020928824 169265572 /nfs/dbraw/zinc/26/55/72/169265572.db2.gz BEEVAEYAPTVQGM-UHFFFAOYSA-N 1 0 241.762 3.628 50 0 BHAARO CCCOc1ccc(Cl)cc1C[NH2+]C(C)C ZINC000020928995 169319581 /nfs/dbraw/zinc/31/95/81/169319581.db2.gz UAVOVSVOFJBGGD-UHFFFAOYSA-N 1 0 241.762 3.627 50 0 BHAARO CCCOc1c(Cl)cc(Cl)cc1C[NH2+]C ZINC000020930131 169313738 /nfs/dbraw/zinc/31/37/38/169313738.db2.gz XTSYPOGZNKJZIM-UHFFFAOYSA-N 1 0 248.153 3.502 50 0 BHAARO CCCOc1ccc2ccccc2c1C[NH2+]CC ZINC000020930595 169324093 /nfs/dbraw/zinc/32/40/93/169324093.db2.gz ASKYLYSZRNDNEJ-UHFFFAOYSA-N 1 0 243.350 3.738 50 0 BHAARO CCn1cc(C[NH2+]C(C)(C)C)c2ccccc21 ZINC000020934928 172169861 /nfs/dbraw/zinc/16/98/61/172169861.db2.gz RYOYTDAUPNTXFE-UHFFFAOYSA-N 1 0 230.355 3.549 50 0 BHAARO CCCC[NH2+]Cc1cn(CC)c2ccccc12 ZINC000020934994 384643205 /nfs/dbraw/zinc/64/32/05/384643205.db2.gz BXJMEIBHJPFNEN-UHFFFAOYSA-N 1 0 230.355 3.551 50 0 BHAARO CCn1cc(C[NH2+]C2CCCC2)c2ccccc21 ZINC000020934999 172169595 /nfs/dbraw/zinc/16/95/95/172169595.db2.gz UQKCDXPLXIJSNK-UHFFFAOYSA-N 1 0 242.366 3.693 50 0 BHAARO CCCCC[NH2+]Cc1cn(CC)c2ccccc12 ZINC000020935086 342999644 /nfs/dbraw/zinc/99/96/44/342999644.db2.gz GKPQNJQMTWTDAD-UHFFFAOYSA-N 1 0 244.382 3.941 50 0 BHAARO CC[C@@H](C)[NH2+]Cc1cn(CC)c2ccccc12 ZINC000020935104 342999497 /nfs/dbraw/zinc/99/94/97/342999497.db2.gz BDBCGQGTUIKLNT-GFCCVEGCSA-N 1 0 230.355 3.549 50 0 BHAARO CC[C@H](C)[NH2+]Cc1cn(CC)c2ccccc12 ZINC000020935110 171344332 /nfs/dbraw/zinc/34/43/32/171344332.db2.gz BDBCGQGTUIKLNT-LBPRGKRZSA-N 1 0 230.355 3.549 50 0 BHAARO CCn1cc(C[NH2+]CCC(C)C)c2ccccc21 ZINC000020935324 172170933 /nfs/dbraw/zinc/17/09/33/172170933.db2.gz POLOOHFEGWGVRJ-UHFFFAOYSA-N 1 0 244.382 3.797 50 0 BHAARO CCn1cc(C[NH2+]C(C)(C)CC)c2ccccc21 ZINC000020935330 172170077 /nfs/dbraw/zinc/17/00/77/172170077.db2.gz WBJBWUSTVMEGPM-UHFFFAOYSA-N 1 0 244.382 3.939 50 0 BHAARO CC(C)=CCC[C@H](C)[NH2+]CCC[C@@H]1CCOC1 ZINC000020999763 187253809 /nfs/dbraw/zinc/25/38/09/187253809.db2.gz WXWCRVKRXILBDY-LSDHHAIUSA-N 1 0 239.403 3.528 50 0 BHAARO CC(C)=CCC[C@@H](C)[NH2+]CCC[C@@H]1CCOC1 ZINC000020999764 187253631 /nfs/dbraw/zinc/25/36/31/187253631.db2.gz WXWCRVKRXILBDY-HUUCEWRRSA-N 1 0 239.403 3.528 50 0 BHAARO CC(C)=CCC[C@H](C)[NH2+]CCC[C@H]1CCOC1 ZINC000020999765 371356608 /nfs/dbraw/zinc/35/66/08/371356608.db2.gz WXWCRVKRXILBDY-GJZGRUSLSA-N 1 0 239.403 3.528 50 0 BHAARO CC(C)=CCC[C@@H](C)[NH2+]CCC[C@H]1CCOC1 ZINC000020999766 388789765 /nfs/dbraw/zinc/78/97/65/388789765.db2.gz WXWCRVKRXILBDY-CABCVRRESA-N 1 0 239.403 3.528 50 0 BHAARO CCC(CC)[NH2+]CCc1ccc(Cl)cc1 ZINC000021010477 168387905 /nfs/dbraw/zinc/38/79/05/168387905.db2.gz GXFKDTBTNLWUOC-UHFFFAOYSA-N 1 0 225.763 3.661 50 0 BHAARO CCC1CCC([NH2+]Cc2cccs2)CC1 ZINC000021013043 343002021 /nfs/dbraw/zinc/00/20/21/343002021.db2.gz CLNSMDNUDMVGBO-UHFFFAOYSA-N 1 0 223.385 3.807 50 0 BHAARO COc1ccccc1C[NH2+][C@@H](C)CCCC(C)C ZINC000021017930 175330286 /nfs/dbraw/zinc/33/02/86/175330286.db2.gz KWKXLVLZMACRGW-AWEZNQCLSA-N 1 0 249.398 4.000 50 0 BHAARO COc1ccccc1C[NH2+][C@H](C)CCCC(C)C ZINC000021017933 175329902 /nfs/dbraw/zinc/32/99/02/175329902.db2.gz KWKXLVLZMACRGW-CQSZACIVSA-N 1 0 249.398 4.000 50 0 BHAARO CCC(CC)C[NH2+]Cc1ccccc1Cl ZINC000021033197 168362197 /nfs/dbraw/zinc/36/21/97/168362197.db2.gz VCGHRNAIBQBARO-UHFFFAOYSA-N 1 0 225.763 3.866 50 0 BHAARO CCCCC[NH2+]Cc1ccccc1C(F)(F)F ZINC000021036222 343002543 /nfs/dbraw/zinc/00/25/43/343002543.db2.gz FNDRGTCTOVEBNB-UHFFFAOYSA-N 1 0 245.288 3.985 50 0 BHAARO [NH3+][C@@H](CC1CCCCC1)c1ccccc1 ZINC000021042919 181541337 /nfs/dbraw/zinc/54/13/37/181541337.db2.gz HFLQIMOFFSZGIH-AWEZNQCLSA-N 1 0 203.329 3.657 50 0 BHAARO [NH3+][C@H](CC1CCCCC1)c1ccccc1 ZINC000021042926 343003025 /nfs/dbraw/zinc/00/30/25/343003025.db2.gz HFLQIMOFFSZGIH-CQSZACIVSA-N 1 0 203.329 3.657 50 0 BHAARO CCC1CCC([NH2+]Cc2ccccc2OC)CC1 ZINC000021500450 343014186 /nfs/dbraw/zinc/01/41/86/343014186.db2.gz VMZDOVHAFPSUGN-UHFFFAOYSA-N 1 0 247.382 3.754 50 0 BHAARO CCC1CCC([NH2+]C2CCCCC2)CC1 ZINC000021500547 343014363 /nfs/dbraw/zinc/01/43/63/343014363.db2.gz GULBXYISZYUQOX-UHFFFAOYSA-N 1 0 209.377 3.878 50 0 BHAARO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccccc1Cl ZINC000021503087 170774278 /nfs/dbraw/zinc/77/42/78/170774278.db2.gz HGWLHIXQBJOYAD-GHMZBOCLSA-N 1 0 225.763 3.864 50 0 BHAARO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccccc1Cl ZINC000021503089 171365520 /nfs/dbraw/zinc/36/55/20/171365520.db2.gz HGWLHIXQBJOYAD-WDEREUQCSA-N 1 0 225.763 3.864 50 0 BHAARO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccccc1Cl ZINC000021503090 343014307 /nfs/dbraw/zinc/01/43/07/343014307.db2.gz HGWLHIXQBJOYAD-MNOVXSKESA-N 1 0 225.763 3.864 50 0 BHAARO CC[C@H](C)[C@H](C)[NH2+]Cc1ccccc1Cl ZINC000021503092 171389453 /nfs/dbraw/zinc/38/94/53/171389453.db2.gz HGWLHIXQBJOYAD-QWRGUYRKSA-N 1 0 225.763 3.864 50 0 BHAARO CCC(CC)C[NH2+]Cc1ccc(C)cc1 ZINC000021507725 168362298 /nfs/dbraw/zinc/36/22/98/168362298.db2.gz SSCREZVBSVOFNN-UHFFFAOYSA-N 1 0 205.345 3.521 50 0 BHAARO CCOc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C)cc1 ZINC000021516429 343014777 /nfs/dbraw/zinc/01/47/77/343014777.db2.gz QBTGWQXGMLNZAK-XJKSGUPXSA-N 1 0 247.382 3.754 50 0 BHAARO CCOc1ccc(C[NH2+][C@H]2CCCC[C@@H]2C)cc1 ZINC000021516430 343014478 /nfs/dbraw/zinc/01/44/78/343014478.db2.gz QBTGWQXGMLNZAK-BBRMVZONSA-N 1 0 247.382 3.754 50 0 BHAARO CCOc1ccc(C[NH2+][C@@H]2CCCC[C@H]2C)cc1 ZINC000021516431 343014766 /nfs/dbraw/zinc/01/47/66/343014766.db2.gz QBTGWQXGMLNZAK-CZUORRHYSA-N 1 0 247.382 3.754 50 0 BHAARO CCOc1ccc(C[NH2+][C@H]2CCCC[C@H]2C)cc1 ZINC000021516432 170546797 /nfs/dbraw/zinc/54/67/97/170546797.db2.gz QBTGWQXGMLNZAK-CJNGLKHVSA-N 1 0 247.382 3.754 50 0 BHAARO CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccccc1 ZINC000021517249 171366999 /nfs/dbraw/zinc/36/69/99/171366999.db2.gz PXEVECSHSZZQEI-XQQFMLRXSA-N 1 0 205.345 3.772 50 0 BHAARO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1ccccc1 ZINC000021517251 171390123 /nfs/dbraw/zinc/39/01/23/171390123.db2.gz PXEVECSHSZZQEI-AVGNSLFASA-N 1 0 205.345 3.772 50 0 BHAARO CCCCCC[NH2+]Cc1cccc(C)c1 ZINC000021520690 343014660 /nfs/dbraw/zinc/01/46/60/343014660.db2.gz CMEIGYDXYKNDFT-UHFFFAOYSA-N 1 0 205.345 3.665 50 0 BHAARO Clc1cccc(-c2cccc3c2CC[NH2+]C3)c1 ZINC000021782559 582459902 /nfs/dbraw/zinc/45/99/02/582459902.db2.gz JOKGVFFLRYNOOQ-UHFFFAOYSA-N 1 0 243.737 3.653 50 0 BHAARO CCCCC[C@@H](C)[NH2+]Cc1ccccc1OC ZINC000021802097 343021199 /nfs/dbraw/zinc/02/11/99/343021199.db2.gz VBNOXDJQTAFESO-CYBMUJFWSA-N 1 0 235.371 3.754 50 0 BHAARO CCCCC[C@H](C)[NH2+]Cc1ccccc1OC ZINC000021802100 343021737 /nfs/dbraw/zinc/02/17/37/343021737.db2.gz VBNOXDJQTAFESO-ZDUSSCGKSA-N 1 0 235.371 3.754 50 0 BHAARO CCCC(CCC)[NH2+]Cc1cccs1 ZINC000021803858 343021422 /nfs/dbraw/zinc/02/14/22/343021422.db2.gz GIBRBDQVHQFRAK-UHFFFAOYSA-N 1 0 211.374 3.807 50 0 BHAARO CCCC1CCC([NH2+]C2CCCC2)CC1 ZINC000021813749 343021421 /nfs/dbraw/zinc/02/14/21/343021421.db2.gz CJAFZLOXJLDFGF-UHFFFAOYSA-N 1 0 209.377 3.878 50 0 BHAARO CC[C@@H](C)C[NH2+]CCc1ccc(Cl)cc1 ZINC000021814157 343021426 /nfs/dbraw/zinc/02/14/26/343021426.db2.gz MXYOOWCGQVWQFO-LLVKDONJSA-N 1 0 225.763 3.518 50 0 BHAARO CC[C@H](C)C[NH2+]CCc1ccc(Cl)cc1 ZINC000021814158 171284656 /nfs/dbraw/zinc/28/46/56/171284656.db2.gz MXYOOWCGQVWQFO-NSHDSACASA-N 1 0 225.763 3.518 50 0 BHAARO CCCC[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000021815541 384691882 /nfs/dbraw/zinc/69/18/82/384691882.db2.gz OBNMSSZOJBZTIN-UHFFFAOYSA-N 1 0 211.393 3.981 50 0 BHAARO CCC[C@@H](C)[NH2+]CCc1ccc(Cl)cc1 ZINC000021818208 169369963 /nfs/dbraw/zinc/36/99/63/169369963.db2.gz RKYCDNAZFJYVNU-LLVKDONJSA-N 1 0 225.763 3.661 50 0 BHAARO CCC[C@H](C)[NH2+]CCc1ccc(Cl)cc1 ZINC000021818210 169493264 /nfs/dbraw/zinc/49/32/64/169493264.db2.gz RKYCDNAZFJYVNU-NSHDSACASA-N 1 0 225.763 3.661 50 0 BHAARO CC(C)(C)[NH2+]Cc1ccccc1C(F)(F)F ZINC000021956003 166635291 /nfs/dbraw/zinc/63/52/91/166635291.db2.gz PMNMVWKKXKOZRP-UHFFFAOYSA-N 1 0 231.261 3.594 50 0 BHAARO c1ccc(Oc2cccc(C[NH2+]C3CC3)c2)cc1 ZINC000021960511 343030721 /nfs/dbraw/zinc/03/07/21/343030721.db2.gz ZAMXVZSFCOWFKI-UHFFFAOYSA-N 1 0 239.318 3.731 50 0 BHAARO C[NH2+][C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000021966225 384712000 /nfs/dbraw/zinc/71/20/00/384712000.db2.gz WZNAJVBGLOFZLB-LBPRGKRZSA-N 1 0 211.308 3.634 50 0 BHAARO C[NH2+][C@H](C)c1ccc(-c2ccccc2)cc1 ZINC000021966228 173448684 /nfs/dbraw/zinc/44/86/84/173448684.db2.gz WZNAJVBGLOFZLB-GFCCVEGCSA-N 1 0 211.308 3.634 50 0 BHAARO CCC(C)(C)C1CCC([NH2+]C2CC2)CC1 ZINC000021968169 168270014 /nfs/dbraw/zinc/27/00/14/168270014.db2.gz UVHCWOXPYHPEEB-UHFFFAOYSA-N 1 0 209.377 3.733 50 0 BHAARO C[NH2+]CCCC(c1ccccc1)c1ccccc1 ZINC000022008119 173345017 /nfs/dbraw/zinc/34/50/17/173345017.db2.gz GRKYNTKPAFRLLZ-UHFFFAOYSA-N 1 0 239.362 3.818 50 0 in-vivo BHAARO CC[NH+](CC)CCCOc1c(C)ccc(C)c1C ZINC000022064578 343038823 /nfs/dbraw/zinc/03/88/23/343038823.db2.gz HUAYRQJDTBMINQ-UHFFFAOYSA-N 1 0 249.398 3.723 50 0 BHAARO Cc1ccc([C@H](C)CC[N@@H+]2CCCC[C@H]2C)o1 ZINC000022077729 355943401 /nfs/dbraw/zinc/94/34/01/355943401.db2.gz VETYRGYMDFMOAY-CHWSQXEVSA-N 1 0 235.371 3.956 50 0 BHAARO Cc1ccc([C@H](C)CC[N@@H+]2CCCC[C@@H]2C)o1 ZINC000022077732 384731265 /nfs/dbraw/zinc/73/12/65/384731265.db2.gz VETYRGYMDFMOAY-OLZOCXBDSA-N 1 0 235.371 3.956 50 0 BHAARO Cc1ccc([C@H](C)CC[N@@H+]2CCC[C@@H](C)C2)o1 ZINC000022077739 368419072 /nfs/dbraw/zinc/41/90/72/368419072.db2.gz DMNJADKCJPTELM-CHWSQXEVSA-N 1 0 235.371 3.814 50 0 BHAARO Cc1ccc([C@H](C)CC[N@@H+]2CCC[C@H](C)C2)o1 ZINC000022077742 343271945 /nfs/dbraw/zinc/27/19/45/343271945.db2.gz DMNJADKCJPTELM-QWHCGFSZSA-N 1 0 235.371 3.814 50 0 BHAARO C[C@@H]([NH2+]C1CC1)c1cccc(C(F)(F)F)c1 ZINC000022144477 175858831 /nfs/dbraw/zinc/85/88/31/175858831.db2.gz FFAYIWCCLTWGEH-MRVPVSSYSA-N 1 0 229.245 3.518 50 0 BHAARO C[C@H]([NH2+]C1CC1)c1cccc(C(F)(F)F)c1 ZINC000022144480 397972439 /nfs/dbraw/zinc/97/24/39/397972439.db2.gz FFAYIWCCLTWGEH-QMMMGPOBSA-N 1 0 229.245 3.518 50 0 BHAARO C[C@@H]([NH2+]C1CC1)c1ccc2ccccc2c1 ZINC000022145392 175858913 /nfs/dbraw/zinc/85/89/13/175858913.db2.gz SNGVWSZGMSVFIK-LLVKDONJSA-N 1 0 211.308 3.653 50 0 BHAARO C[C@H]([NH2+]C1CC1)c1ccc2ccccc2c1 ZINC000022145395 176828527 /nfs/dbraw/zinc/82/85/27/176828527.db2.gz SNGVWSZGMSVFIK-NSHDSACASA-N 1 0 211.308 3.653 50 0 BHAARO C[C@@H]([NH2+]C1CC1)c1cc(Cl)ccc1Cl ZINC000022166612 384740784 /nfs/dbraw/zinc/74/07/84/384740784.db2.gz FOURFVVJPYVVCK-SSDOTTSWSA-N 1 0 230.138 3.806 50 0 BHAARO C[C@H]([NH2+]C1CC1)c1cc(Cl)ccc1Cl ZINC000022166613 384740945 /nfs/dbraw/zinc/74/09/45/384740945.db2.gz FOURFVVJPYVVCK-ZETCQYMHSA-N 1 0 230.138 3.806 50 0 BHAARO Cc1cccc(COc2ccc([C@@H](C)[NH3+])cc2)c1 ZINC000022213476 384743667 /nfs/dbraw/zinc/74/36/67/384743667.db2.gz VWYKRJKOKDJYJD-CYBMUJFWSA-N 1 0 241.334 3.594 50 0 BHAARO Cc1cccc(COc2ccc([C@H](C)[NH3+])cc2)c1 ZINC000022213479 224480265 /nfs/dbraw/zinc/48/02/65/224480265.db2.gz VWYKRJKOKDJYJD-ZDUSSCGKSA-N 1 0 241.334 3.594 50 0 BHAARO CC[C@@H]([NH2+]C1CC1)c1ccc(Cl)cc1 ZINC000022219440 384747586 /nfs/dbraw/zinc/74/75/86/384747586.db2.gz QJMJHXJQPCGKOI-GFCCVEGCSA-N 1 0 209.720 3.543 50 0 BHAARO CC[C@H]([NH2+]C1CC1)c1ccc(Cl)cc1 ZINC000022219443 343045013 /nfs/dbraw/zinc/04/50/13/343045013.db2.gz QJMJHXJQPCGKOI-LBPRGKRZSA-N 1 0 209.720 3.543 50 0 BHAARO C[C@@H]([NH2+]C1CC1)c1ccc(Cl)cc1Cl ZINC000022223648 384747615 /nfs/dbraw/zinc/74/76/15/384747615.db2.gz SLBUMFSHBFKQTG-SSDOTTSWSA-N 1 0 230.138 3.806 50 0 BHAARO C[C@H]([NH2+]C1CC1)c1ccc(Cl)cc1Cl ZINC000022223650 384746487 /nfs/dbraw/zinc/74/64/87/384746487.db2.gz SLBUMFSHBFKQTG-ZETCQYMHSA-N 1 0 230.138 3.806 50 0 BHAARO CC[NH+](CC)CCCCOc1c(C)cccc1C ZINC000023115375 632041380 /nfs/dbraw/zinc/04/13/80/632041380.db2.gz HZQONUUXDYZQJH-UHFFFAOYSA-N 1 0 249.398 3.804 50 0 BHAARO CCCC[N@H+](C)Cc1ccc(OC)c(C)c1C ZINC000023281363 343063402 /nfs/dbraw/zinc/06/34/02/343063402.db2.gz MLLQSDHJVHBPSV-UHFFFAOYSA-N 1 0 235.371 3.544 50 0 BHAARO COc1cc(C)c(C[N@@H+]2CCCC[C@@H]2C)cc1C ZINC000023282103 343063351 /nfs/dbraw/zinc/06/33/51/343063351.db2.gz JNOTWIYRYWECKJ-AWEZNQCLSA-N 1 0 247.382 3.686 50 0 BHAARO COc1cc(C)c(C[N@@H+]2CCCC[C@H]2C)cc1C ZINC000023282105 343063007 /nfs/dbraw/zinc/06/30/07/343063007.db2.gz JNOTWIYRYWECKJ-CQSZACIVSA-N 1 0 247.382 3.686 50 0 BHAARO CCCC[NH2+]CCCCOc1cc(C)ccc1C ZINC000023550097 632939596 /nfs/dbraw/zinc/93/95/96/632939596.db2.gz XTELDBIJPZIXAS-UHFFFAOYSA-N 1 0 249.398 3.852 50 0 BHAARO c1ccc([C@@H]2C[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC000024717146 384830616 /nfs/dbraw/zinc/83/06/16/384830616.db2.gz OKZYNEJPWCDXSG-JKSUJKDBSA-N 1 0 223.319 3.505 50 0 BHAARO c1ccc([C@@H]2C[NH2+][C@H](c3ccccc3)C2)cc1 ZINC000024717149 384831167 /nfs/dbraw/zinc/83/11/67/384831167.db2.gz OKZYNEJPWCDXSG-HOTGVXAUSA-N 1 0 223.319 3.505 50 0 BHAARO c1ccc([C@H]2C[C@@H](c3ccccc3)C[NH2+]2)cc1 ZINC000024717152 183433629 /nfs/dbraw/zinc/43/36/29/183433629.db2.gz OKZYNEJPWCDXSG-HZPDHXFCSA-N 1 0 223.319 3.505 50 0 BHAARO c1ccc([C@H]2C[NH2+][C@H](c3ccccc3)C2)cc1 ZINC000024717155 384829910 /nfs/dbraw/zinc/82/99/10/384829910.db2.gz OKZYNEJPWCDXSG-CVEARBPZSA-N 1 0 223.319 3.505 50 0 BHAARO Cc1cc(C)c(/C=C/C=C2/[NH+]=C(C)C=C2C)[nH]1 ZINC000025724676 168093219 /nfs/dbraw/zinc/09/32/19/168093219.db2.gz YGFACZZMDKBKBF-CSNJMMPQSA-N 1 0 226.323 3.949 50 0 BHAARO CCCCc1nc2cc(Cl)ccc2[nH]1 ZINC000026440497 169027271 /nfs/dbraw/zinc/02/72/71/169027271.db2.gz WFWORIOFUWQDMY-UHFFFAOYSA-N 1 0 208.692 3.559 50 0 BHAARO c1ccc(C[N@H+]2CC=C(c3ccccc3)CC2)cc1 ZINC000026738222 188109818 /nfs/dbraw/zinc/10/98/18/188109818.db2.gz MMHFZZRBVWLWAT-UHFFFAOYSA-N 1 0 249.357 3.976 50 0 BHAARO [NH3+]C1(c2cccc(C(F)(F)F)c2)CCCCC1 ZINC000028966217 181333848 /nfs/dbraw/zinc/33/38/48/181333848.db2.gz UBLNVYIKUWTTQA-UHFFFAOYSA-N 1 0 243.272 3.824 50 0 BHAARO CCCCSCC[NH2+]CCSCCCC ZINC000030836336 168930757 /nfs/dbraw/zinc/93/07/57/168930757.db2.gz PMEMQUULDPKLRS-UHFFFAOYSA-N 1 0 249.489 3.643 50 0 BHAARO C[N@@H+]1Cc2ccccc2[C@@H]2CCc3ccccc3[C@H]21 ZINC000031771510 173202256 /nfs/dbraw/zinc/20/22/56/173202256.db2.gz RKUPAUHKGCQAHB-ZWKOTPCHSA-N 1 0 249.357 3.903 50 0 BHAARO CC(C)Oc1ccccc1C[NH2+]C1CCCCC1 ZINC000032103217 167310580 /nfs/dbraw/zinc/31/05/80/167310580.db2.gz CKOODHUQWUJWCC-UHFFFAOYSA-N 1 0 247.382 3.896 50 0 BHAARO CC(C)Oc1cccc(C[NH2+]C2CCCCC2)c1 ZINC000032103227 167307236 /nfs/dbraw/zinc/30/72/36/167307236.db2.gz FYGWAGUTGQSJMM-UHFFFAOYSA-N 1 0 247.382 3.896 50 0 BHAARO CC(C)Oc1ccc(C[NH2+]C2CCCCC2)cc1 ZINC000032103238 167294896 /nfs/dbraw/zinc/29/48/96/167294896.db2.gz GVVSEUAPLKCHQC-UHFFFAOYSA-N 1 0 247.382 3.896 50 0 BHAARO C[NH+](C)[C@@H](CCc1ccccc1)c1ccccc1 ZINC000032170726 350189293 /nfs/dbraw/zinc/18/92/93/350189293.db2.gz GFGRRRKNHSDLAO-KRWDZBQOSA-N 1 0 239.362 3.922 50 0 BHAARO C[NH+](C)[C@H](CCc1ccccc1)c1ccccc1 ZINC000032170728 350188865 /nfs/dbraw/zinc/18/88/65/350188865.db2.gz GFGRRRKNHSDLAO-QGZVFWFLSA-N 1 0 239.362 3.922 50 0 BHAARO [NH2+]=C1NC2=C(CCCC2)[C@@H](c2ccccc2)S1 ZINC000032264715 372169481 /nfs/dbraw/zinc/16/94/81/372169481.db2.gz AXQYDGZBWLPMPS-CYBMUJFWSA-N 1 0 244.363 3.617 50 0 BHAARO [NH2+]=C1NC2=C(CCCC2)[C@H](c2ccccc2)S1 ZINC000032264716 372170093 /nfs/dbraw/zinc/17/00/93/372170093.db2.gz AXQYDGZBWLPMPS-ZDUSSCGKSA-N 1 0 244.363 3.617 50 0 BHAARO CC(C)=CCC[C@H](C)[NH2+]CCc1ccc(O)cc1 ZINC000032581056 385172594 /nfs/dbraw/zinc/17/25/94/385172594.db2.gz MXTSUPIROMPXDL-AWEZNQCLSA-N 1 0 247.382 3.659 50 0 BHAARO CC(C)=CCC[C@@H](C)[NH2+]CCc1ccc(O)cc1 ZINC000032581057 343238035 /nfs/dbraw/zinc/23/80/35/343238035.db2.gz MXTSUPIROMPXDL-CQSZACIVSA-N 1 0 247.382 3.659 50 0 BHAARO CC(C)Oc1ccccc1C[NH2+]C1CCCC1 ZINC000033465017 167310331 /nfs/dbraw/zinc/31/03/31/167310331.db2.gz AXNBXCWKHYDIIW-UHFFFAOYSA-N 1 0 233.355 3.506 50 0 BHAARO CC(C)Oc1cccc(C[NH2+]C2CCCC2)c1 ZINC000033465020 167306479 /nfs/dbraw/zinc/30/64/79/167306479.db2.gz IMJXMOIJAACMEG-UHFFFAOYSA-N 1 0 233.355 3.506 50 0 BHAARO CC(C)Oc1ccc(C[NH2+]C2CCCC2)cc1 ZINC000033465023 167294248 /nfs/dbraw/zinc/29/42/48/167294248.db2.gz KRABUBUEWJOFNU-UHFFFAOYSA-N 1 0 233.355 3.506 50 0 BHAARO CC(C)CC[NH2+]Cc1ccccc1OC(C)C ZINC000033465626 166862435 /nfs/dbraw/zinc/86/24/35/166862435.db2.gz ZGBUJNLAFQXDSC-UHFFFAOYSA-N 1 0 235.371 3.610 50 0 BHAARO CCCCC[NH2+]Cc1ccccc1OC(C)C ZINC000033465627 343254851 /nfs/dbraw/zinc/25/48/51/343254851.db2.gz DEAGKFJNFYYWTC-UHFFFAOYSA-N 1 0 235.371 3.754 50 0 BHAARO CC(C)CC[NH2+]Cc1cccc(OC(C)C)c1 ZINC000033465630 385236952 /nfs/dbraw/zinc/23/69/52/385236952.db2.gz RMVPKHVUBYYOHO-UHFFFAOYSA-N 1 0 235.371 3.610 50 0 BHAARO CCCCC[NH2+]Cc1cccc(OC(C)C)c1 ZINC000033465631 343255010 /nfs/dbraw/zinc/25/50/10/343255010.db2.gz BTSCFXYPPIUHLR-UHFFFAOYSA-N 1 0 235.371 3.754 50 0 BHAARO CC(C)CC[NH2+]Cc1ccc(OC(C)C)cc1 ZINC000033465638 166862459 /nfs/dbraw/zinc/86/24/59/166862459.db2.gz AHUYYSWTDIBNMP-UHFFFAOYSA-N 1 0 235.371 3.610 50 0 BHAARO CCCCC[NH2+]Cc1ccc(OC(C)C)cc1 ZINC000033465639 343254894 /nfs/dbraw/zinc/25/48/94/343254894.db2.gz MQQHIVNZFZCTGB-UHFFFAOYSA-N 1 0 235.371 3.754 50 0 BHAARO [NH3+][C@@H](Cc1ccc(Cl)cc1)C1CCCCC1 ZINC000033466363 343254961 /nfs/dbraw/zinc/25/49/61/343254961.db2.gz HPQHKFRYWGPIRF-AWEZNQCLSA-N 1 0 237.774 3.790 50 0 BHAARO [NH3+][C@H](Cc1ccc(Cl)cc1)C1CCCCC1 ZINC000033466364 343255016 /nfs/dbraw/zinc/25/50/16/343255016.db2.gz HPQHKFRYWGPIRF-CQSZACIVSA-N 1 0 237.774 3.790 50 0 BHAARO [NH3+]CCC[C@@H](Oc1ccccc1)c1ccccc1 ZINC000033469428 181385850 /nfs/dbraw/zinc/38/58/50/181385850.db2.gz ABYSKMBKHNEEFQ-MRXNPFEDSA-N 1 0 241.334 3.546 50 0 BHAARO [NH3+]CCC[C@H](Oc1ccccc1)c1ccccc1 ZINC000033469430 181385919 /nfs/dbraw/zinc/38/59/19/181385919.db2.gz ABYSKMBKHNEEFQ-INIZCTEOSA-N 1 0 241.334 3.546 50 0 BHAARO CC(C)(C)c1ccc(C2(C[NH3+])CCCC2)cc1 ZINC000033487083 187256382 /nfs/dbraw/zinc/25/63/82/187256382.db2.gz LXUQWFWHUAKETK-UHFFFAOYSA-N 1 0 231.383 3.755 50 0 BHAARO CC(C)(C)c1ccc(C2([NH3+])CCCC2)cc1 ZINC000033487149 343255393 /nfs/dbraw/zinc/25/53/93/343255393.db2.gz PMTBIPCGTQPLGH-UHFFFAOYSA-N 1 0 217.356 3.712 50 0 BHAARO [NH3+]C1(c2cc(Cl)cc(Cl)c2)CCCC1 ZINC000033487331 181334266 /nfs/dbraw/zinc/33/42/66/181334266.db2.gz LAWCYRPIMUMVQN-UHFFFAOYSA-N 1 0 230.138 3.721 50 0 BHAARO COc1cccc(C2=C(C[NH+](C)C)CCCC2)c1 ZINC000033867581 175249288 /nfs/dbraw/zinc/24/92/88/175249288.db2.gz FBIKAGZLTPYSQW-UHFFFAOYSA-N 1 0 245.366 3.584 50 0 in-vitro BHAARO c1coc(C2([NH+]3CCCCC3)CCCCC2)c1 ZINC000034006227 350253764 /nfs/dbraw/zinc/25/37/64/350253764.db2.gz HSNWEYLAVCYNFW-UHFFFAOYSA-N 1 0 233.355 3.925 50 0 BHAARO Clc1ccc(SC[C@@H]2CCCC[NH2+]2)cc1 ZINC000034103807 180584624 /nfs/dbraw/zinc/58/46/24/180584624.db2.gz CXQIPUMYBSVOBJ-NSHDSACASA-N 1 0 241.787 3.574 50 0 BHAARO Clc1ccc(SC[C@H]2CCCC[NH2+]2)cc1 ZINC000034103808 180584990 /nfs/dbraw/zinc/58/49/90/180584990.db2.gz CXQIPUMYBSVOBJ-LLVKDONJSA-N 1 0 241.787 3.574 50 0 BHAARO C[C@H]([NH2+]Cc1ccccc1)C1CCCCC1 ZINC000034279050 385276018 /nfs/dbraw/zinc/27/60/18/385276018.db2.gz OMHARYGQHXTRHT-ZDUSSCGKSA-N 1 0 217.356 3.745 50 0 BHAARO C[C@@H]([NH2+]Cc1ccccc1)C1CCCCC1 ZINC000034279051 175901181 /nfs/dbraw/zinc/90/11/81/175901181.db2.gz OMHARYGQHXTRHT-CYBMUJFWSA-N 1 0 217.356 3.745 50 0 BHAARO Cc1cnccc1CCCCc1ccccc1 ZINC000034404922 350265512 /nfs/dbraw/zinc/26/55/12/350265512.db2.gz JEDYHKWYHRZSFV-UHFFFAOYSA-N 1 0 225.335 3.955 50 0 BHAARO CC(C)(C)c1cc(C[NH3+])cc(C(C)(C)C)c1 ZINC000034523183 363207513 /nfs/dbraw/zinc/20/75/13/363207513.db2.gz NATQQALKFOXQQB-UHFFFAOYSA-N 1 0 219.372 3.740 50 0 BHAARO [NH3+]C(CCc1ccccc1)CCc1ccccc1 ZINC000034549023 181323506 /nfs/dbraw/zinc/32/35/06/181323506.db2.gz PBKWJPMGHCRYGT-UHFFFAOYSA-N 1 0 239.362 3.579 50 0 BHAARO CC(C)[NH2+]Cc1ccc(-c2ccccc2)s1 ZINC000034652212 167116087 /nfs/dbraw/zinc/11/60/87/167116087.db2.gz PROTYIICNXCUBE-UHFFFAOYSA-N 1 0 231.364 3.913 50 0 BHAARO C[NH2+]Cc1ccccc1Oc1ccc(C)cc1 ZINC000034664106 173390657 /nfs/dbraw/zinc/39/06/57/173390657.db2.gz WYIQFXZFFUGBGG-UHFFFAOYSA-N 1 0 227.307 3.507 50 0 BHAARO CC(C)(C)c1ccc(C2CCC([NH3+])CC2)cc1 ZINC000034742386 526770965 /nfs/dbraw/zinc/77/09/65/526770965.db2.gz MPKXFAVHGNUKNK-UHFFFAOYSA-N 1 0 231.383 3.969 50 0 BHAARO CCC[NH2+]Cc1cc(Cl)ccc1OC(C)C ZINC000034815436 136208890 /nfs/dbraw/zinc/20/88/90/136208890.db2.gz ZNRPZPVBVBLOFH-UHFFFAOYSA-N 1 0 241.762 3.627 50 0 BHAARO CC(C)[NH2+]Cc1cc(Cl)ccc1OC(C)C ZINC000034815549 385290784 /nfs/dbraw/zinc/29/07/84/385290784.db2.gz BOSDFCIICXXAAT-UHFFFAOYSA-N 1 0 241.762 3.625 50 0 BHAARO C[NH2+]Cc1ccccc1Oc1ccc(Cl)cc1 ZINC000034833761 173390748 /nfs/dbraw/zinc/39/07/48/173390748.db2.gz RIJHAFWKICFLDW-UHFFFAOYSA-N 1 0 247.725 3.852 50 0 BHAARO c1ccc(C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)cc1 ZINC000034893487 183404752 /nfs/dbraw/zinc/40/47/52/183404752.db2.gz SALPHQZNPUYVCF-IRXDYDNUSA-N 1 0 237.346 3.580 50 0 BHAARO CC[C@H]([NH2+][C@@H](C)c1ccccc1)C(C)C ZINC000034985819 343282156 /nfs/dbraw/zinc/28/21/56/343282156.db2.gz BRVIBSLYVQHACS-JSGCOSHPSA-N 1 0 205.345 3.772 50 0 BHAARO CCCC[NH2+]Cc1cc(C)c(C)cc1C ZINC000034990952 383821602 /nfs/dbraw/zinc/82/16/02/383821602.db2.gz UQXAFDQPWCEVRL-UHFFFAOYSA-N 1 0 205.345 3.502 50 0 BHAARO CCC(CC)[NH2+]Cc1ccc(C)c(C)c1 ZINC000034991218 168389733 /nfs/dbraw/zinc/38/97/33/168389733.db2.gz DFGPWCPYYKGXHH-UHFFFAOYSA-N 1 0 205.345 3.582 50 0 BHAARO C1CC1[NH2+][C@H]1CCCC[C@H]1C1CCCCC1 ZINC000034995040 188285313 /nfs/dbraw/zinc/28/53/13/188285313.db2.gz GYOXCRDTESKNMN-GJZGRUSLSA-N 1 0 221.388 3.878 50 0 BHAARO C1CC1[NH2+][C@H]1CCCC[C@@H]1C1CCCCC1 ZINC000034995041 383821789 /nfs/dbraw/zinc/82/17/89/383821789.db2.gz GYOXCRDTESKNMN-CABCVRRESA-N 1 0 221.388 3.878 50 0 BHAARO C1CC1[NH2+][C@@H]1CCCC[C@H]1C1CCCCC1 ZINC000034995042 187421593 /nfs/dbraw/zinc/42/15/93/187421593.db2.gz GYOXCRDTESKNMN-LSDHHAIUSA-N 1 0 221.388 3.878 50 0 BHAARO C1CC1[NH2+][C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000034995043 188284590 /nfs/dbraw/zinc/28/45/90/188284590.db2.gz GYOXCRDTESKNMN-HUUCEWRRSA-N 1 0 221.388 3.878 50 0 BHAARO Cc1ccc(C[NH2+]C2C3CC4CC(C3)CC2C4)o1 ZINC000035012796 343282507 /nfs/dbraw/zinc/28/25/07/343282507.db2.gz GLJCFIHEFLKSOL-UHFFFAOYSA-N 1 0 245.366 3.502 50 0 BHAARO CC(C)[C@H]([NH2+]C1CCCC1)c1ccccc1 ZINC000035015833 351381975 /nfs/dbraw/zinc/38/19/75/351381975.db2.gz JKWCLTUFXHWFFZ-HNNXBMFYSA-N 1 0 217.356 3.916 50 0 BHAARO CC(C)[C@@H]([NH2+]C1CCCC1)c1ccccc1 ZINC000035015836 167431670 /nfs/dbraw/zinc/43/16/70/167431670.db2.gz JKWCLTUFXHWFFZ-OAHLLOKOSA-N 1 0 217.356 3.916 50 0 BHAARO CC(C)C[NH2+][C@@H](c1ccccc1)C(C)C ZINC000035015975 167011627 /nfs/dbraw/zinc/01/16/27/167011627.db2.gz JEGHSGICOHUUQL-CQSZACIVSA-N 1 0 205.345 3.629 50 0 BHAARO CC(C)C[NH2+][C@H](c1ccccc1)C(C)C ZINC000035015978 167013297 /nfs/dbraw/zinc/01/32/97/167013297.db2.gz JEGHSGICOHUUQL-AWEZNQCLSA-N 1 0 205.345 3.629 50 0 BHAARO CCCC[NH2+][C@@H](c1ccccc1)C(C)C ZINC000035016138 168873711 /nfs/dbraw/zinc/87/37/11/168873711.db2.gz HZWLBRNPLVBYGE-CQSZACIVSA-N 1 0 205.345 3.773 50 0 BHAARO CCCC[NH2+][C@H](c1ccccc1)C(C)C ZINC000035016140 168876981 /nfs/dbraw/zinc/87/69/81/168876981.db2.gz HZWLBRNPLVBYGE-AWEZNQCLSA-N 1 0 205.345 3.773 50 0 BHAARO CCCCC[NH2+]Cc1ccc(C)c(C)c1 ZINC000035042961 343283470 /nfs/dbraw/zinc/28/34/70/343283470.db2.gz MDSXKBSHFJXAPN-UHFFFAOYSA-N 1 0 205.345 3.583 50 0 BHAARO CC[NH+](CC)CCC[C@@H](C)n1c(C)ccc1C ZINC000035120253 343285135 /nfs/dbraw/zinc/28/51/35/343285135.db2.gz SJSUJPKGYRQFFT-CYBMUJFWSA-N 1 0 236.403 3.788 50 0 BHAARO CC[NH+](CC)CCC[C@H](C)n1c(C)ccc1C ZINC000035120255 343285121 /nfs/dbraw/zinc/28/51/21/343285121.db2.gz SJSUJPKGYRQFFT-ZDUSSCGKSA-N 1 0 236.403 3.788 50 0 BHAARO CC(C)c1ccc(C[NH2+][C@@H](C)C2CC2)cc1 ZINC000035136461 167599836 /nfs/dbraw/zinc/59/98/36/167599836.db2.gz KLVSVVCSKJDVEO-LBPRGKRZSA-N 1 0 217.356 3.698 50 0 BHAARO CC(C)c1ccc(C[NH2+][C@H](C)C2CC2)cc1 ZINC000035136462 167599634 /nfs/dbraw/zinc/59/96/34/167599634.db2.gz KLVSVVCSKJDVEO-GFCCVEGCSA-N 1 0 217.356 3.698 50 0 BHAARO CC(C)C[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000035232521 343290607 /nfs/dbraw/zinc/29/06/07/343290607.db2.gz XGBKDGOYTQODLM-QMMMGPOBSA-N 1 0 217.765 3.708 50 0 BHAARO CC(C)C[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000035232522 167013085 /nfs/dbraw/zinc/01/30/85/167013085.db2.gz XGBKDGOYTQODLM-MRVPVSSYSA-N 1 0 217.765 3.708 50 0 BHAARO C[C@H]([NH2+]C1CCCC1)c1ccc(Cl)s1 ZINC000035232564 383845631 /nfs/dbraw/zinc/84/56/31/383845631.db2.gz KFWXQHREJXZAJC-QMMMGPOBSA-N 1 0 229.776 3.995 50 0 BHAARO C[C@@H]([NH2+]C1CCCC1)c1ccc(Cl)s1 ZINC000035232566 383844411 /nfs/dbraw/zinc/84/44/11/383844411.db2.gz KFWXQHREJXZAJC-MRVPVSSYSA-N 1 0 229.776 3.995 50 0 BHAARO CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1OC ZINC000035256875 356451660 /nfs/dbraw/zinc/45/16/60/356451660.db2.gz ZTMYEYHZVZSFKS-HIFRSBDPSA-N 1 0 247.382 3.754 50 0 BHAARO CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1OC ZINC000035256876 356451439 /nfs/dbraw/zinc/45/14/39/356451439.db2.gz ZTMYEYHZVZSFKS-ZFWWWQNUSA-N 1 0 247.382 3.754 50 0 BHAARO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1OC ZINC000035256877 356452134 /nfs/dbraw/zinc/45/21/34/356452134.db2.gz ZTMYEYHZVZSFKS-UKRRQHHQSA-N 1 0 247.382 3.754 50 0 BHAARO CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccccc1OC ZINC000035256878 356451452 /nfs/dbraw/zinc/45/14/52/356451452.db2.gz ZTMYEYHZVZSFKS-DZGCQCFKSA-N 1 0 247.382 3.754 50 0 BHAARO Cc1ccc(C[NH2+]C(C)(C)CC(C)(C)C)o1 ZINC000035257276 343290876 /nfs/dbraw/zinc/29/08/76/343290876.db2.gz IQQUIRGAAOBSLB-UHFFFAOYSA-N 1 0 223.360 3.892 50 0 BHAARO CC[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000035285620 343292316 /nfs/dbraw/zinc/29/23/16/343292316.db2.gz JZSBBZQRIGPEPD-SFYZADRCSA-N 1 0 217.765 3.851 50 0 BHAARO CC[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000035285622 171346517 /nfs/dbraw/zinc/34/65/17/171346517.db2.gz JZSBBZQRIGPEPD-YUMQZZPRSA-N 1 0 217.765 3.851 50 0 BHAARO CC[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000035285624 343292260 /nfs/dbraw/zinc/29/22/60/343292260.db2.gz JZSBBZQRIGPEPD-HTQZYQBOSA-N 1 0 217.765 3.851 50 0 BHAARO CC[C@H](C)[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000035285625 171348096 /nfs/dbraw/zinc/34/80/96/171348096.db2.gz JZSBBZQRIGPEPD-JGVFFNPUSA-N 1 0 217.765 3.851 50 0 BHAARO CCCCCNC1=[NH+]C[C@H](c2ccccc2)S1 ZINC000035294636 343292828 /nfs/dbraw/zinc/29/28/28/343292828.db2.gz ZDGAJSJAPAAADE-CYBMUJFWSA-N 1 0 248.395 3.610 50 0 BHAARO CCCCCNC1=[NH+]C[C@@H](c2ccccc2)S1 ZINC000035294637 343292709 /nfs/dbraw/zinc/29/27/09/343292709.db2.gz ZDGAJSJAPAAADE-ZDUSSCGKSA-N 1 0 248.395 3.610 50 0 BHAARO C[NH2+][C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000035463904 383859982 /nfs/dbraw/zinc/85/99/82/383859982.db2.gz DEIGSCGTJVUWPY-CQSZACIVSA-N 1 0 249.716 3.788 50 0 BHAARO C[NH2+][C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000035463906 383860396 /nfs/dbraw/zinc/86/03/96/383860396.db2.gz DEIGSCGTJVUWPY-AWEZNQCLSA-N 1 0 249.716 3.788 50 0 BHAARO C[NH2+][C@H](c1ccc(Cl)cc1)C(C)(C)C ZINC000035464152 173456028 /nfs/dbraw/zinc/45/60/28/173456028.db2.gz QRFKGGNCWLRVQZ-LLVKDONJSA-N 1 0 211.736 3.647 50 0 BHAARO C[NH2+][C@@H](c1ccc(Cl)cc1)C(C)(C)C ZINC000035464155 383860691 /nfs/dbraw/zinc/86/06/91/383860691.db2.gz QRFKGGNCWLRVQZ-NSHDSACASA-N 1 0 211.736 3.647 50 0 BHAARO C[NH2+][C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000035464652 383858502 /nfs/dbraw/zinc/85/85/02/383858502.db2.gz SXXISJAWYFDNNG-CYBMUJFWSA-N 1 0 223.747 3.791 50 0 BHAARO C[NH2+][C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000035464655 383860477 /nfs/dbraw/zinc/86/04/77/383860477.db2.gz SXXISJAWYFDNNG-ZDUSSCGKSA-N 1 0 223.747 3.791 50 0 BHAARO C[NH2+][C@@H](c1ccccc1)c1ccc(F)cc1Cl ZINC000035465191 383860032 /nfs/dbraw/zinc/86/00/32/383860032.db2.gz BCVSUZQYMDXTIH-AWEZNQCLSA-N 1 0 249.716 3.788 50 0 BHAARO C[NH2+][C@H](c1ccccc1)c1ccc(F)cc1Cl ZINC000035465194 383858394 /nfs/dbraw/zinc/85/83/94/383858394.db2.gz BCVSUZQYMDXTIH-CQSZACIVSA-N 1 0 249.716 3.788 50 0 BHAARO C[NH2+][C@H](c1csc2ccccc12)[C@H]1C[C@H]1C ZINC000035499841 173458315 /nfs/dbraw/zinc/45/83/15/173458315.db2.gz BJAJMOZGDQACAP-PUYPPJJSSA-N 1 0 231.364 3.818 50 0 BHAARO C[NH2+][C@H](c1csc2ccccc12)[C@H]1C[C@@H]1C ZINC000035499844 383857859 /nfs/dbraw/zinc/85/78/59/383857859.db2.gz BJAJMOZGDQACAP-CHIMOYNISA-N 1 0 231.364 3.818 50 0 BHAARO C[NH2+][C@H](c1csc2ccccc12)[C@@H]1C[C@H]1C ZINC000035499847 383860534 /nfs/dbraw/zinc/86/05/34/383860534.db2.gz BJAJMOZGDQACAP-UDZFHETQSA-N 1 0 231.364 3.818 50 0 BHAARO C[NH2+][C@H](c1csc2ccccc12)[C@@H]1C[C@@H]1C ZINC000035499849 383859864 /nfs/dbraw/zinc/85/98/64/383859864.db2.gz BJAJMOZGDQACAP-PXWWUCIGSA-N 1 0 231.364 3.818 50 0 BHAARO C(=C\c1ccccc1)\C[NH2+]CCc1ccccc1 ZINC000035534089 166228630 /nfs/dbraw/zinc/22/86/30/166228630.db2.gz AHPHNOZCAVKCDI-GHXNOFRVSA-N 1 0 237.346 3.532 50 0 BHAARO C(=C\c1ccccc1)\C[NH2+]Cc1cccs1 ZINC000035535685 518373426 /nfs/dbraw/zinc/37/34/26/518373426.db2.gz AGHLYZYIZPGTOM-YWEYNIOJSA-N 1 0 229.348 3.551 50 0 BHAARO Clc1ccc(/C=C\C[NH2+]Cc2ccco2)cc1 ZINC000035539937 526939212 /nfs/dbraw/zinc/93/92/12/526939212.db2.gz USSVMOXOYDMUGD-IWQZZHSRSA-N 1 0 247.725 3.736 50 0 BHAARO CC[NH2+]Cc1c(OC(C)C)ccc2ccccc21 ZINC000035630675 170123959 /nfs/dbraw/zinc/12/39/59/170123959.db2.gz BZDJLPIUFRPJHP-UHFFFAOYSA-N 1 0 243.350 3.737 50 0 BHAARO C[NH2+]Cc1cc(Cl)cc(Cl)c1OC(C)C ZINC000035661977 173387027 /nfs/dbraw/zinc/38/70/27/173387027.db2.gz ASOHCAZIEXCDPL-UHFFFAOYSA-N 1 0 248.153 3.500 50 0 BHAARO [NH3+]CC1(c2ccc(Cl)c(Cl)c2)CCCC1 ZINC000036948409 181362015 /nfs/dbraw/zinc/36/20/15/181362015.db2.gz CTUZLMXCSKURAB-UHFFFAOYSA-N 1 0 244.165 3.764 50 0 BHAARO CC[C@@H](C)[NH2+][C@@H](c1ccccc1)C(C)C ZINC000036967502 343328445 /nfs/dbraw/zinc/32/84/45/343328445.db2.gz HOMHQXWVGMTLPW-TZMCWYRMSA-N 1 0 205.345 3.772 50 0 BHAARO CC[C@H](C)[NH2+][C@@H](c1ccccc1)C(C)C ZINC000036967504 171345658 /nfs/dbraw/zinc/34/56/58/171345658.db2.gz HOMHQXWVGMTLPW-GXTWGEPZSA-N 1 0 205.345 3.772 50 0 BHAARO CC[C@@H](C)[NH2+][C@H](c1ccccc1)C(C)C ZINC000036967505 343328704 /nfs/dbraw/zinc/32/87/04/343328704.db2.gz HOMHQXWVGMTLPW-OCCSQVGLSA-N 1 0 205.345 3.772 50 0 BHAARO CC[C@H](C)[NH2+][C@H](c1ccccc1)C(C)C ZINC000036967507 171348840 /nfs/dbraw/zinc/34/88/40/171348840.db2.gz HOMHQXWVGMTLPW-JSGCOSHPSA-N 1 0 205.345 3.772 50 0 BHAARO CC(C)[C@H]([NH2+][C@@H](C)C1CC1)c1ccccc1 ZINC000036967647 188113142 /nfs/dbraw/zinc/11/31/42/188113142.db2.gz UISSAUKUXNXVAT-WFASDCNBSA-N 1 0 217.356 3.772 50 0 BHAARO CC(C)[C@@H]([NH2+][C@@H](C)C1CC1)c1ccccc1 ZINC000036967649 388084399 /nfs/dbraw/zinc/08/43/99/388084399.db2.gz UISSAUKUXNXVAT-SWLSCSKDSA-N 1 0 217.356 3.772 50 0 BHAARO CC(C)[C@H]([NH2+][C@H](C)C1CC1)c1ccccc1 ZINC000036967651 188467787 /nfs/dbraw/zinc/46/77/87/188467787.db2.gz UISSAUKUXNXVAT-DOMZBBRYSA-N 1 0 217.356 3.772 50 0 BHAARO CC(C)[C@@H]([NH2+][C@H](C)C1CC1)c1ccccc1 ZINC000036967653 388084521 /nfs/dbraw/zinc/08/45/21/388084521.db2.gz UISSAUKUXNXVAT-IUODEOHRSA-N 1 0 217.356 3.772 50 0 BHAARO C[C@H]([NH2+]C1CC1)c1cc(F)c(Cl)cc1Cl ZINC000037183813 343338221 /nfs/dbraw/zinc/33/82/21/343338221.db2.gz PPRPCAKRNTWRBD-LURJTMIESA-N 1 0 248.128 3.946 50 0 BHAARO C[C@@H]([NH2+]C1CC1)c1cc(F)c(Cl)cc1Cl ZINC000037183814 383954874 /nfs/dbraw/zinc/95/48/74/383954874.db2.gz PPRPCAKRNTWRBD-ZCFIWIBFSA-N 1 0 248.128 3.946 50 0 BHAARO CC[C@@H]([NH2+][C@@H](C)c1ccccc1)C(C)C ZINC000037185796 343338417 /nfs/dbraw/zinc/33/84/17/343338417.db2.gz BRVIBSLYVQHACS-GXTWGEPZSA-N 1 0 205.345 3.772 50 0 BHAARO CC[C@H]([NH2+][C@H](C)c1ccccc1)C(C)C ZINC000037185797 343338478 /nfs/dbraw/zinc/33/84/78/343338478.db2.gz BRVIBSLYVQHACS-OCCSQVGLSA-N 1 0 205.345 3.772 50 0 BHAARO CC[C@@H]([NH2+][C@H](C)c1ccccc1)C(C)C ZINC000037185798 343338447 /nfs/dbraw/zinc/33/84/47/343338447.db2.gz BRVIBSLYVQHACS-TZMCWYRMSA-N 1 0 205.345 3.772 50 0 BHAARO CCC(C)(C)[NH2+]Cc1ccc(OC(C)C)cc1 ZINC000037186188 168299608 /nfs/dbraw/zinc/29/96/08/168299608.db2.gz DCFKNECBMOOZKF-UHFFFAOYSA-N 1 0 235.371 3.752 50 0 BHAARO CCC(C)(C)[NH2+]Cc1ccccc1OC(C)C ZINC000037186189 168299060 /nfs/dbraw/zinc/29/90/60/168299060.db2.gz MYBFZVGGEGWBNF-UHFFFAOYSA-N 1 0 235.371 3.752 50 0 BHAARO CCC(C)(C)[NH2+]Cc1ccc(C)c(C)c1 ZINC000037186213 168298634 /nfs/dbraw/zinc/29/86/34/168298634.db2.gz LTPSVEIHUWAQPK-UHFFFAOYSA-N 1 0 205.345 3.582 50 0 BHAARO CCC[NH2+][C@@H](CC)c1ccc(CC)cc1 ZINC000037223527 169277751 /nfs/dbraw/zinc/27/77/51/169277751.db2.gz MSFFKMWPCYBOQZ-AWEZNQCLSA-N 1 0 205.345 3.700 50 0 BHAARO CCC[NH2+][C@H](CC)c1ccc(CC)cc1 ZINC000037223528 169287869 /nfs/dbraw/zinc/28/78/69/169287869.db2.gz MSFFKMWPCYBOQZ-CQSZACIVSA-N 1 0 205.345 3.700 50 0 BHAARO CCc1ccc([C@@H](CC)[NH2+]C(C)C)cc1 ZINC000037223557 190987363 /nfs/dbraw/zinc/98/73/63/190987363.db2.gz ZSGDBVAVXBUNRV-CQSZACIVSA-N 1 0 205.345 3.698 50 0 BHAARO CCc1ccc([C@H](CC)[NH2+]C(C)C)cc1 ZINC000037223558 171841715 /nfs/dbraw/zinc/84/17/15/171841715.db2.gz ZSGDBVAVXBUNRV-AWEZNQCLSA-N 1 0 205.345 3.698 50 0 BHAARO CC[C@H]([NH2+]Cc1cccc(C)c1)C(C)C ZINC000037230793 343340565 /nfs/dbraw/zinc/34/05/65/343340565.db2.gz OZHYESJZBKAUTG-AWEZNQCLSA-N 1 0 205.345 3.519 50 0 BHAARO CC[C@@H]([NH2+]Cc1cccc(C)c1)C(C)C ZINC000037230794 343340217 /nfs/dbraw/zinc/34/02/17/343340217.db2.gz OZHYESJZBKAUTG-CQSZACIVSA-N 1 0 205.345 3.519 50 0 BHAARO C[C@H]([NH2+]Cc1cccs1)C1CCCCC1 ZINC000037231964 176879694 /nfs/dbraw/zinc/87/96/94/176879694.db2.gz VMVGADHLVPAYAV-NSHDSACASA-N 1 0 223.385 3.807 50 0 BHAARO C[C@@H]([NH2+]Cc1cccs1)C1CCCCC1 ZINC000037231965 343340535 /nfs/dbraw/zinc/34/05/35/343340535.db2.gz VMVGADHLVPAYAV-LLVKDONJSA-N 1 0 223.385 3.807 50 0 BHAARO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H](C)C2)C1 ZINC000037252946 343341236 /nfs/dbraw/zinc/34/12/36/343341236.db2.gz FBBSSGDEXCODGU-LVEBTZEWSA-N 1 0 209.377 3.733 50 0 BHAARO CC(C)[C@H]([NH3+])c1ccc(Cl)c(Cl)c1 ZINC000037375424 190987490 /nfs/dbraw/zinc/98/74/90/190987490.db2.gz GBHNWWAAJIPAFF-JTQLQIEISA-N 1 0 218.127 3.649 50 0 BHAARO CC(C)[C@@H]([NH3+])c1ccc(Cl)c(Cl)c1 ZINC000037375426 167422506 /nfs/dbraw/zinc/42/25/06/167422506.db2.gz GBHNWWAAJIPAFF-SNVBAGLBSA-N 1 0 218.127 3.649 50 0 BHAARO CCC[C@H]([NH3+])c1ccc(Cl)c(Cl)c1 ZINC000037377806 343343744 /nfs/dbraw/zinc/34/37/44/343343744.db2.gz CJQHLZJQVQONFN-JTQLQIEISA-N 1 0 218.127 3.793 50 0 BHAARO CCC[C@@H]([NH3+])c1ccc(Cl)c(Cl)c1 ZINC000037377809 169393394 /nfs/dbraw/zinc/39/33/94/169393394.db2.gz CJQHLZJQVQONFN-SNVBAGLBSA-N 1 0 218.127 3.793 50 0 BHAARO CC(C)(C)[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000037423256 166635421 /nfs/dbraw/zinc/63/54/21/166635421.db2.gz ZNJWBWZTFZHCQF-UHFFFAOYSA-N 1 0 232.154 3.882 50 0 BHAARO CC(C)C[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000037423282 167008313 /nfs/dbraw/zinc/00/83/13/167008313.db2.gz RHCXEIJOHBHDDG-UHFFFAOYSA-N 1 0 232.154 3.739 50 0 BHAARO [NH3+][C@@H](c1cccc(Cl)c1)C1CCCCC1 ZINC000037466225 343345845 /nfs/dbraw/zinc/34/58/45/343345845.db2.gz SYGRGHQMTLXINJ-CYBMUJFWSA-N 1 0 223.747 3.920 50 0 BHAARO [NH3+][C@H](c1cccc(Cl)c1)C1CCCCC1 ZINC000037466227 343345913 /nfs/dbraw/zinc/34/59/13/343345913.db2.gz SYGRGHQMTLXINJ-ZDUSSCGKSA-N 1 0 223.747 3.920 50 0 BHAARO [NH3+][C@@H](c1cccc(Cl)c1)C1CCCC1 ZINC000037466233 343345984 /nfs/dbraw/zinc/34/59/84/343345984.db2.gz BVJRXBJSWYOURK-GFCCVEGCSA-N 1 0 209.720 3.530 50 0 BHAARO [NH3+][C@H](c1cccc(Cl)c1)C1CCCC1 ZINC000037466235 343346302 /nfs/dbraw/zinc/34/63/02/343346302.db2.gz BVJRXBJSWYOURK-LBPRGKRZSA-N 1 0 209.720 3.530 50 0 BHAARO [NH3+][C@@H](c1cccc(F)c1)c1cccc(Cl)c1 ZINC000037466245 181563821 /nfs/dbraw/zinc/56/38/21/181563821.db2.gz LBGOIFJSMYTKBT-CYBMUJFWSA-N 1 0 235.689 3.527 50 0 BHAARO [NH3+][C@H](c1cccc(F)c1)c1cccc(Cl)c1 ZINC000037466247 343346409 /nfs/dbraw/zinc/34/64/09/343346409.db2.gz LBGOIFJSMYTKBT-ZDUSSCGKSA-N 1 0 235.689 3.527 50 0 BHAARO CCC(CC)C[NH2+]Cc1ccccc1C ZINC000037487171 168361807 /nfs/dbraw/zinc/36/18/07/168361807.db2.gz NEGUGCWOEAWRMT-UHFFFAOYSA-N 1 0 205.345 3.521 50 0 BHAARO C[C@H]([NH2+]CCC(C)(C)C)c1ccccc1 ZINC000037488667 383982249 /nfs/dbraw/zinc/98/22/49/383982249.db2.gz FEGKRCUUDOIGBS-LBPRGKRZSA-N 1 0 205.345 3.773 50 0 BHAARO C[C@@H]([NH2+]CCC(C)(C)C)c1ccccc1 ZINC000037488668 383981628 /nfs/dbraw/zinc/98/16/28/383981628.db2.gz FEGKRCUUDOIGBS-GFCCVEGCSA-N 1 0 205.345 3.773 50 0 BHAARO C[C@H]1CCCC[C@@H]1Nc1nc2ccccc2[nH]1 ZINC000037498300 177083440 /nfs/dbraw/zinc/08/34/40/177083440.db2.gz NWXBARKVGHWHOE-QWRGUYRKSA-N 1 0 229.327 3.554 50 0 BHAARO C[C@H]1CCCC[C@H]1Nc1nc2ccccc2[nH]1 ZINC000037498302 177089817 /nfs/dbraw/zinc/08/98/17/177089817.db2.gz NWXBARKVGHWHOE-WDEREUQCSA-N 1 0 229.327 3.554 50 0 BHAARO COc1ccccc1C[NH2+]CCC1CCCCC1 ZINC000037501015 364097065 /nfs/dbraw/zinc/09/70/65/364097065.db2.gz JHVXWDVZOSMJSE-UHFFFAOYSA-N 1 0 247.382 3.755 50 0 BHAARO CC[N@H+](C)Cc1cncc(-c2ccc(C)cc2)c1 ZINC000037553887 364178631 /nfs/dbraw/zinc/17/86/31/364178631.db2.gz GNQDGNGICUKJKS-UHFFFAOYSA-N 1 0 240.350 3.509 50 0 BHAARO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccccc1C ZINC000037718951 170774195 /nfs/dbraw/zinc/77/41/95/170774195.db2.gz WPWLDJWSQNNVER-DGCLKSJQSA-N 1 0 205.345 3.519 50 0 BHAARO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccccc1C ZINC000037718952 171366055 /nfs/dbraw/zinc/36/60/55/171366055.db2.gz WPWLDJWSQNNVER-WCQYABFASA-N 1 0 205.345 3.519 50 0 BHAARO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccccc1C ZINC000037718953 343352178 /nfs/dbraw/zinc/35/21/78/343352178.db2.gz WPWLDJWSQNNVER-YPMHNXCESA-N 1 0 205.345 3.519 50 0 BHAARO CC[C@H](C)[C@H](C)[NH2+]Cc1ccccc1C ZINC000037718954 171389388 /nfs/dbraw/zinc/38/93/88/171389388.db2.gz WPWLDJWSQNNVER-AAEUAGOBSA-N 1 0 205.345 3.519 50 0 BHAARO Cc1cc(C)cc(Oc2ccc(C[NH3+])cc2C)c1 ZINC000037733319 343352762 /nfs/dbraw/zinc/35/27/62/343352762.db2.gz FXEHQYCWLHWWGQ-UHFFFAOYSA-N 1 0 241.334 3.863 50 0 BHAARO c1csc(C[NH2+]CCC2CCCCC2)c1 ZINC000037863414 370924041 /nfs/dbraw/zinc/92/40/41/370924041.db2.gz YWNPNYYIGGLEMR-UHFFFAOYSA-N 1 0 223.385 3.808 50 0 BHAARO Cc1cc(C[NH2+]C2CCCC2)c2ccccc2n1 ZINC000037927342 178019542 /nfs/dbraw/zinc/01/95/42/178019542.db2.gz YMDSREVBWCEZBG-UHFFFAOYSA-N 1 0 240.350 3.575 50 0 BHAARO CCC([NH3+])(CC)c1ccc(Cl)c(Cl)c1 ZINC000037934587 384044294 /nfs/dbraw/zinc/04/42/94/384044294.db2.gz PSIHMNRHSVOAAH-UHFFFAOYSA-N 1 0 232.154 3.967 50 0 BHAARO CCCCC[NH2+]Cc1cc(C)cc(C)c1 ZINC000037978539 343363124 /nfs/dbraw/zinc/36/31/24/343363124.db2.gz GNSDTCHEVBTUNJ-UHFFFAOYSA-N 1 0 205.345 3.583 50 0 BHAARO CCC(CC)[NH2+]Cc1cc(C)cc(C)c1 ZINC000037978613 168390093 /nfs/dbraw/zinc/39/00/93/168390093.db2.gz BOQGFYLZJBAIDK-UHFFFAOYSA-N 1 0 205.345 3.582 50 0 BHAARO CCC(C)(C)[NH2+]Cc1cc(C)cc(C)c1 ZINC000037991297 168299194 /nfs/dbraw/zinc/29/91/94/168299194.db2.gz NAVBNVORQXYQPD-UHFFFAOYSA-N 1 0 205.345 3.582 50 0 BHAARO CCC[NH2+][C@@H](C)c1ccc(Br)s1 ZINC000038001569 169275952 /nfs/dbraw/zinc/27/59/52/169275952.db2.gz RNEYUCATIKDMFH-ZETCQYMHSA-N 1 0 248.189 3.571 50 0 BHAARO CCC[NH2+][C@H](C)c1ccc(Br)s1 ZINC000038001570 169287481 /nfs/dbraw/zinc/28/74/81/169287481.db2.gz RNEYUCATIKDMFH-SSDOTTSWSA-N 1 0 248.189 3.571 50 0 BHAARO CC(C)[NH2+][C@@H](C)c1ccc(Br)s1 ZINC000038001595 167132294 /nfs/dbraw/zinc/13/22/94/167132294.db2.gz HXWPULHDBFSHNP-ZETCQYMHSA-N 1 0 248.189 3.570 50 0 BHAARO CC(C)[NH2+][C@H](C)c1ccc(Br)s1 ZINC000038001596 167138492 /nfs/dbraw/zinc/13/84/92/167138492.db2.gz HXWPULHDBFSHNP-SSDOTTSWSA-N 1 0 248.189 3.570 50 0 BHAARO c1ccc(-c2ccccc2C[NH2+]C2CC2)cc1 ZINC000038051766 183380680 /nfs/dbraw/zinc/38/06/80/183380680.db2.gz AHKBJHKNQWGBFR-UHFFFAOYSA-N 1 0 223.319 3.606 50 0 BHAARO [NH3+]Cc1ccc(-c2ccc(Cl)cc2)cc1F ZINC000038069964 384063915 /nfs/dbraw/zinc/06/39/15/384063915.db2.gz GBTAMJDKRXHUDH-UHFFFAOYSA-N 1 0 235.689 3.605 50 0 BHAARO C[NH2+][C@@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC000038070401 173418959 /nfs/dbraw/zinc/41/89/59/173418959.db2.gz VUNASJSRFXGKOT-LBPRGKRZSA-N 1 0 241.334 3.643 50 0 BHAARO C[NH2+][C@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC000038070402 522447818 /nfs/dbraw/zinc/44/78/18/522447818.db2.gz VUNASJSRFXGKOT-GFCCVEGCSA-N 1 0 241.334 3.643 50 0 BHAARO Cc1cc(C)c(-c2cc(C[NH3+])ccc2F)c(C)c1 ZINC000038072300 177833842 /nfs/dbraw/zinc/83/38/42/177833842.db2.gz BWXGSKSMHPQYPV-UHFFFAOYSA-N 1 0 243.325 3.877 50 0 BHAARO Cc1cc([C@H]([NH3+])c2ccccc2Cl)ccc1F ZINC000038078651 178261972 /nfs/dbraw/zinc/26/19/72/178261972.db2.gz WWOTUTKCNYLGKV-AWEZNQCLSA-N 1 0 249.716 3.836 50 0 BHAARO Cc1cc([C@@H]([NH3+])c2ccccc2Cl)ccc1F ZINC000038078652 178237807 /nfs/dbraw/zinc/23/78/07/178237807.db2.gz WWOTUTKCNYLGKV-CQSZACIVSA-N 1 0 249.716 3.836 50 0 BHAARO [NH3+][C@@H](c1ccccc1Cl)C1CCCC1 ZINC000038078657 181566485 /nfs/dbraw/zinc/56/64/85/181566485.db2.gz HAQPNWOJIUQCHZ-GFCCVEGCSA-N 1 0 209.720 3.530 50 0 BHAARO [NH3+][C@H](c1ccccc1Cl)C1CCCC1 ZINC000038078658 181633582 /nfs/dbraw/zinc/63/35/82/181633582.db2.gz HAQPNWOJIUQCHZ-LBPRGKRZSA-N 1 0 209.720 3.530 50 0 BHAARO [NH3+][C@@H](Cc1ccccc1)CC1CCCCC1 ZINC000038127093 181556904 /nfs/dbraw/zinc/55/69/04/181556904.db2.gz VGVMDWYLACEBAM-HNNXBMFYSA-N 1 0 217.356 3.527 50 0 BHAARO [NH3+][C@H](Cc1ccccc1)CC1CCCCC1 ZINC000038127094 181626460 /nfs/dbraw/zinc/62/64/60/181626460.db2.gz VGVMDWYLACEBAM-OAHLLOKOSA-N 1 0 217.356 3.527 50 0 BHAARO Cc1ccccc1C[N@H+](C)Cc1ccccc1 ZINC000039170262 179270100 /nfs/dbraw/zinc/27/01/00/179270100.db2.gz PSBPHJZLPVJJER-UHFFFAOYSA-N 1 0 225.335 3.627 50 0 BHAARO Cc1cccc(C)c1NC(=[NH2+])c1ccccc1 ZINC000039194541 385089789 /nfs/dbraw/zinc/08/97/89/385089789.db2.gz AASIRBFPUPZJOO-UHFFFAOYSA-N 1 0 224.307 3.741 50 0 BHAARO Cc1ccc([C@@H](C)CC[N@@H+]2CCCC[C@@H]2C)o1 ZINC000039408725 384113126 /nfs/dbraw/zinc/11/31/26/384113126.db2.gz VETYRGYMDFMOAY-STQMWFEESA-N 1 0 235.371 3.956 50 0 BHAARO CC[NH+](CC)Cc1ccc(Cl)c(Cl)c1 ZINC000039975169 343394322 /nfs/dbraw/zinc/39/43/22/343394322.db2.gz FQHBDWOTXKVSRF-UHFFFAOYSA-N 1 0 232.154 3.835 50 0 BHAARO CC[NH+](CC)CCC12CC3CC(CC(C3)C1)C2 ZINC000040007888 373087170 /nfs/dbraw/zinc/08/71/70/373087170.db2.gz YYAWEHQPUBBSDY-UHFFFAOYSA-N 1 0 235.415 3.935 50 0 BHAARO CC[N@H+](C)C(c1ccccc1)c1ccccc1 ZINC000040009445 373087389 /nfs/dbraw/zinc/08/73/89/373087389.db2.gz GKHJDXBPKGAOQO-UHFFFAOYSA-N 1 0 225.335 3.728 50 0 BHAARO C[N@H+](Cc1ccccc1)[C@@H]1CCc2ccccc21 ZINC000040049887 388411851 /nfs/dbraw/zinc/41/18/51/388411851.db2.gz SXOZCLFVHCTVJX-QGZVFWFLSA-N 1 0 237.346 3.806 50 0 BHAARO C[N@H+](Cc1ccccc1)[C@H]1CCc2ccccc21 ZINC000040049888 386501634 /nfs/dbraw/zinc/50/16/34/386501634.db2.gz SXOZCLFVHCTVJX-KRWDZBQOSA-N 1 0 237.346 3.806 50 0 BHAARO C[C@@H]1CCC[N@H+](Cc2nc3ccccc3s2)C1 ZINC000040161799 176101709 /nfs/dbraw/zinc/10/17/09/176101709.db2.gz DNZGPRMVKJZDQV-LLVKDONJSA-N 1 0 246.379 3.528 50 0 BHAARO C[C@H]1CCC[N@H+](Cc2nc3ccccc3s2)C1 ZINC000040161800 177104121 /nfs/dbraw/zinc/10/41/21/177104121.db2.gz DNZGPRMVKJZDQV-NSHDSACASA-N 1 0 246.379 3.528 50 0 BHAARO C[N@H+](Cc1ccc(F)cc1)Cc1cccc(F)c1 ZINC000040161826 388412649 /nfs/dbraw/zinc/41/26/49/388412649.db2.gz CRFSPRQOBSNIHP-UHFFFAOYSA-N 1 0 247.288 3.597 50 0 BHAARO Cc1ccc(C[N@@H+](C)Cc2ccccc2C)o1 ZINC000040161835 373112454 /nfs/dbraw/zinc/11/24/54/373112454.db2.gz HRNFEHSZTFBWNY-UHFFFAOYSA-N 1 0 229.323 3.528 50 0 BHAARO CC(C)(C)[C@H]([NH3+])c1ccc(Br)s1 ZINC000040236163 384131564 /nfs/dbraw/zinc/13/15/64/384131564.db2.gz YCGQLJLBQFACFC-MRVPVSSYSA-N 1 0 248.189 3.557 50 0 BHAARO CC(C)(C)[C@@H]([NH3+])c1ccc(Br)s1 ZINC000040236165 343399233 /nfs/dbraw/zinc/39/92/33/343399233.db2.gz YCGQLJLBQFACFC-QMMMGPOBSA-N 1 0 248.189 3.557 50 0 BHAARO CCC(C)(C)[NH2+]Cc1cccc(OC(C)C)c1 ZINC000040444256 168299653 /nfs/dbraw/zinc/29/96/53/168299653.db2.gz VAXQGNSCQLXMNJ-UHFFFAOYSA-N 1 0 235.371 3.752 50 0 BHAARO CC[C@H]([NH2+]CC(C)(C)C)c1ccccc1 ZINC000040492432 343405338 /nfs/dbraw/zinc/40/53/38/343405338.db2.gz PZSZVYICVJEKSQ-ZDUSSCGKSA-N 1 0 205.345 3.773 50 0 BHAARO CC[C@@H]([NH2+]CC(C)(C)C)c1ccccc1 ZINC000040492434 170890750 /nfs/dbraw/zinc/89/07/50/170890750.db2.gz PZSZVYICVJEKSQ-CYBMUJFWSA-N 1 0 205.345 3.773 50 0 BHAARO C[NH2+]Cc1cc(Cl)c(OC(C)C)c(Cl)c1 ZINC000040730694 173386816 /nfs/dbraw/zinc/38/68/16/173386816.db2.gz IMRFZIQRXACOSS-UHFFFAOYSA-N 1 0 248.153 3.500 50 0 BHAARO CCC[NH2+]Cc1ccc(OC(C)C)c(Cl)c1 ZINC000040731080 169266936 /nfs/dbraw/zinc/26/69/36/169266936.db2.gz IPKIVFHCQNRFPE-UHFFFAOYSA-N 1 0 241.762 3.627 50 0 BHAARO CC(C)[NH2+]Cc1ccc(OC(C)C)c(Cl)c1 ZINC000040731153 167118849 /nfs/dbraw/zinc/11/88/49/167118849.db2.gz VLQMDNAGSJSTEJ-UHFFFAOYSA-N 1 0 241.762 3.625 50 0 BHAARO C[NH2+][C@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000040994227 384171612 /nfs/dbraw/zinc/17/16/12/384171612.db2.gz BSBZSVGIHBHQQF-SNVBAGLBSA-N 1 0 246.379 3.707 50 0 BHAARO C[NH2+][C@@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000040994230 173420962 /nfs/dbraw/zinc/42/09/62/173420962.db2.gz BSBZSVGIHBHQQF-JTQLQIEISA-N 1 0 246.379 3.707 50 0 BHAARO CC(C)(C)C[NH2+]CCc1ccc(Cl)cc1 ZINC000041051153 166590146 /nfs/dbraw/zinc/59/01/46/166590146.db2.gz DKCVGVXTCAOJDE-UHFFFAOYSA-N 1 0 225.763 3.518 50 0 BHAARO CC(C)(C[NH3+])c1ccc(-c2ccccc2)cc1 ZINC000041246155 384184810 /nfs/dbraw/zinc/18/48/10/384184810.db2.gz SVNGRFRVZJJPHZ-UHFFFAOYSA-N 1 0 225.335 3.590 50 0 BHAARO CC(C)[C@H](C[NH3+])Cc1ccc(Cl)cc1Cl ZINC000041296874 384185126 /nfs/dbraw/zinc/18/51/26/384185126.db2.gz CGRJLIWQASWIGI-JTQLQIEISA-N 1 0 246.181 3.767 50 0 BHAARO CC(C)[C@@H](C[NH3+])Cc1ccc(Cl)cc1Cl ZINC000041296876 167396916 /nfs/dbraw/zinc/39/69/16/167396916.db2.gz CGRJLIWQASWIGI-SNVBAGLBSA-N 1 0 246.181 3.767 50 0 BHAARO C[C@H](Nc1cc[nH+]c2ccccc12)c1ccncc1 ZINC000041720565 374178833 /nfs/dbraw/zinc/17/88/33/374178833.db2.gz PXSKXLSQKNHLPL-LBPRGKRZSA-N 1 0 249.317 3.803 50 0 BHAARO C[C@@H](Nc1cc[nH+]c2ccccc12)c1ccncc1 ZINC000041720570 374178701 /nfs/dbraw/zinc/17/87/01/374178701.db2.gz PXSKXLSQKNHLPL-GFCCVEGCSA-N 1 0 249.317 3.803 50 0 BHAARO CCC(CC)[NH2+]Cc1cc(C)ccc1C ZINC000042209236 168389311 /nfs/dbraw/zinc/38/93/11/168389311.db2.gz MDJNRGQPPHYUIZ-UHFFFAOYSA-N 1 0 205.345 3.582 50 0 BHAARO CCCCC[NH2+]Cc1cc(C)ccc1C ZINC000042221599 343431404 /nfs/dbraw/zinc/43/14/04/343431404.db2.gz TUHRCDKHKSRFHQ-UHFFFAOYSA-N 1 0 205.345 3.583 50 0 BHAARO CCC(C)(C)[NH2+]Cc1cc(C)ccc1C ZINC000042237746 168298916 /nfs/dbraw/zinc/29/89/16/168298916.db2.gz CSVIZRHHVXGLAK-UHFFFAOYSA-N 1 0 205.345 3.582 50 0 BHAARO CC[C@@H](C)[C@@H](C)[NH2+]Cc1cccc(Cl)c1 ZINC000042552403 170773519 /nfs/dbraw/zinc/77/35/19/170773519.db2.gz PEMWTNPJXSOCRV-GHMZBOCLSA-N 1 0 225.763 3.864 50 0 BHAARO CC[C@H](C)[C@@H](C)[NH2+]Cc1cccc(Cl)c1 ZINC000042552406 171365986 /nfs/dbraw/zinc/36/59/86/171365986.db2.gz PEMWTNPJXSOCRV-WDEREUQCSA-N 1 0 225.763 3.864 50 0 BHAARO CC[C@@H](C)[C@H](C)[NH2+]Cc1cccc(Cl)c1 ZINC000042552409 343443299 /nfs/dbraw/zinc/44/32/99/343443299.db2.gz PEMWTNPJXSOCRV-MNOVXSKESA-N 1 0 225.763 3.864 50 0 BHAARO CC[C@H](C)[C@H](C)[NH2+]Cc1cccc(Cl)c1 ZINC000042552412 171389273 /nfs/dbraw/zinc/38/92/73/171389273.db2.gz PEMWTNPJXSOCRV-QWRGUYRKSA-N 1 0 225.763 3.864 50 0 BHAARO C(CC1CCCCC1)OCC[C@@H]1CCCC[NH2+]1 ZINC000042771544 188120843 /nfs/dbraw/zinc/12/08/43/188120843.db2.gz UEPIGWJIESEOAS-HNNXBMFYSA-N 1 0 239.403 3.506 50 0 BHAARO C(CC1CCCCC1)OCC[C@H]1CCCC[NH2+]1 ZINC000042771548 384242833 /nfs/dbraw/zinc/24/28/33/384242833.db2.gz UEPIGWJIESEOAS-OAHLLOKOSA-N 1 0 239.403 3.506 50 0 BHAARO CC(C)c1ccccc1OCC[C@@H]1CCC[NH2+]C1 ZINC000042772459 343451545 /nfs/dbraw/zinc/45/15/45/343451545.db2.gz FNTOCBMVCRPNPO-AWEZNQCLSA-N 1 0 247.382 3.579 50 0 BHAARO CC(C)c1ccccc1OCC[C@H]1CCC[NH2+]C1 ZINC000042772463 343451522 /nfs/dbraw/zinc/45/15/22/343451522.db2.gz FNTOCBMVCRPNPO-CQSZACIVSA-N 1 0 247.382 3.579 50 0 BHAARO CCCc1ccccc1OCC[C@@H]1CCCC[NH2+]1 ZINC000042772634 343451977 /nfs/dbraw/zinc/45/19/77/343451977.db2.gz IQIAFOLYGKXSGR-HNNXBMFYSA-N 1 0 247.382 3.550 50 0 BHAARO CCCc1ccccc1OCC[C@H]1CCCC[NH2+]1 ZINC000042772638 169579390 /nfs/dbraw/zinc/57/93/90/169579390.db2.gz IQIAFOLYGKXSGR-OAHLLOKOSA-N 1 0 247.382 3.550 50 0 BHAARO CC(C)c1cccc(OCC[C@@H]2CCC[NH2+]C2)c1 ZINC000042772815 343451887 /nfs/dbraw/zinc/45/18/87/343451887.db2.gz SCDURBCOOCWAIW-AWEZNQCLSA-N 1 0 247.382 3.579 50 0 BHAARO CC(C)c1cccc(OCC[C@H]2CCC[NH2+]C2)c1 ZINC000042772820 167634641 /nfs/dbraw/zinc/63/46/41/167634641.db2.gz SCDURBCOOCWAIW-CQSZACIVSA-N 1 0 247.382 3.579 50 0 BHAARO CC(C)c1ccc(OCC[C@@H]2CCC[NH2+]C2)cc1 ZINC000042773191 343451796 /nfs/dbraw/zinc/45/17/96/343451796.db2.gz BLBCARFJSYYOTP-AWEZNQCLSA-N 1 0 247.382 3.579 50 0 BHAARO CC(C)c1ccc(OCC[C@H]2CCC[NH2+]C2)cc1 ZINC000042773195 167608400 /nfs/dbraw/zinc/60/84/00/167608400.db2.gz BLBCARFJSYYOTP-CQSZACIVSA-N 1 0 247.382 3.579 50 0 BHAARO CCC(C)(C)c1ccc(O[C@@H]2CCC[NH2+]C2)cc1 ZINC000042782873 168305400 /nfs/dbraw/zinc/30/54/00/168305400.db2.gz MZLOLCKXDVOHNC-OAHLLOKOSA-N 1 0 247.382 3.505 50 0 BHAARO CCC(C)(C)c1ccc(O[C@H]2CCC[NH2+]C2)cc1 ZINC000042782874 168305374 /nfs/dbraw/zinc/30/53/74/168305374.db2.gz MZLOLCKXDVOHNC-HNNXBMFYSA-N 1 0 247.382 3.505 50 0 BHAARO CC(C)CS[C@@H](C[NH3+])c1cccc(Cl)c1 ZINC000043019372 343462414 /nfs/dbraw/zinc/46/24/14/343462414.db2.gz SAKLJAKBKCAMMQ-LBPRGKRZSA-N 1 0 243.803 3.729 50 0 BHAARO CC(C)CS[C@H](C[NH3+])c1cccc(Cl)c1 ZINC000043019374 188121307 /nfs/dbraw/zinc/12/13/07/188121307.db2.gz SAKLJAKBKCAMMQ-GFCCVEGCSA-N 1 0 243.803 3.729 50 0 BHAARO Cc1ccc([C@@H](C)CC[N@@H+]2CCC[C@H](C)C2)o1 ZINC000043164397 343464574 /nfs/dbraw/zinc/46/45/74/343464574.db2.gz DMNJADKCJPTELM-STQMWFEESA-N 1 0 235.371 3.814 50 0 BHAARO CCC(C)(C)[NH2+]Cc1cccc(C)c1C ZINC000043304718 168299010 /nfs/dbraw/zinc/29/90/10/168299010.db2.gz KIQDHNNIBVEOGJ-UHFFFAOYSA-N 1 0 205.345 3.582 50 0 BHAARO CC[NH2+]Cc1ccc(-c2cccc(F)c2C)o1 ZINC000043321737 170126149 /nfs/dbraw/zinc/12/61/49/170126149.db2.gz UXOZOGHHPDSHRI-UHFFFAOYSA-N 1 0 233.286 3.504 50 0 BHAARO Cc1c(F)cccc1-c1ccc(C[NH2+]C2CC2)o1 ZINC000043321742 343051257 /nfs/dbraw/zinc/05/12/57/343051257.db2.gz WJKKIUCJZGHGFM-UHFFFAOYSA-N 1 0 245.297 3.646 50 0 BHAARO [NH3+][C@H](CCCOc1ccccc1)c1ccccc1 ZINC000043458347 342795411 /nfs/dbraw/zinc/79/54/11/342795411.db2.gz OFULAOXGJPMRMF-MRXNPFEDSA-N 1 0 241.334 3.546 50 0 BHAARO [NH3+][C@@H](CCCOc1ccccc1)c1ccccc1 ZINC000043458348 181542377 /nfs/dbraw/zinc/54/23/77/181542377.db2.gz OFULAOXGJPMRMF-INIZCTEOSA-N 1 0 241.334 3.546 50 0 BHAARO C(C[C@@H]1CCCC[NH2+]1)SC1CCCCC1 ZINC000043499646 188295053 /nfs/dbraw/zinc/29/50/53/188295053.db2.gz NTOIKLFNUQWXPN-LBPRGKRZSA-N 1 0 227.417 3.585 50 0 BHAARO C(C[C@H]1CCCC[NH2+]1)SC1CCCCC1 ZINC000043499649 187266901 /nfs/dbraw/zinc/26/69/01/187266901.db2.gz NTOIKLFNUQWXPN-GFCCVEGCSA-N 1 0 227.417 3.585 50 0 BHAARO CCCCOC[NH+](CCCC)CCCC ZINC000044124530 343492032 /nfs/dbraw/zinc/49/20/32/343492032.db2.gz JLSGWKHRBGZJAI-UHFFFAOYSA-N 1 0 215.381 3.663 50 0 BHAARO Clc1n[s+]sc1-c1ccccc1 ZINC000044154599 384315649 /nfs/dbraw/zinc/31/56/49/384315649.db2.gz SBFJVWFZBWHIMZ-UHFFFAOYSA-N 1 0 214.722 3.806 50 0 BHAARO C[C@H]([NH3+])CC(c1ccccc1)c1ccccc1 ZINC000044410473 352318402 /nfs/dbraw/zinc/31/84/02/352318402.db2.gz DJMZXBCLPVSJPI-ZDUSSCGKSA-N 1 0 225.335 3.556 50 0 BHAARO C[C@@H]([NH3+])CC(c1ccccc1)c1ccccc1 ZINC000044410476 175803285 /nfs/dbraw/zinc/80/32/85/175803285.db2.gz DJMZXBCLPVSJPI-CYBMUJFWSA-N 1 0 225.335 3.556 50 0 BHAARO CSC(=[NH2+])Nc1ccc(C(C)C)cc1 ZINC000044676048 411139138 /nfs/dbraw/zinc/13/91/38/411139138.db2.gz CVRKRMCUVUHTOU-UHFFFAOYSA-N 1 0 208.330 3.520 50 0 BHAARO Cc1ccccc1[C@H]([NH3+])[C@@H]1CCC[C@H](C)C1 ZINC000044980518 179343671 /nfs/dbraw/zinc/34/36/71/179343671.db2.gz FOGSJWPUWBXGDC-NJZAAPMLSA-N 1 0 217.356 3.821 50 0 BHAARO Cc1ccccc1[C@H]([NH3+])[C@H]1CCC[C@H](C)C1 ZINC000044980524 179343255 /nfs/dbraw/zinc/34/32/55/179343255.db2.gz FOGSJWPUWBXGDC-CORIIIEPSA-N 1 0 217.356 3.821 50 0 BHAARO Cc1ccccc1[C@H]([NH3+])C1CCC(C)CC1 ZINC000044983604 179343337 /nfs/dbraw/zinc/34/33/37/179343337.db2.gz DKTSNKIUBHRNPS-ABIUDSBCSA-N 1 0 217.356 3.821 50 0 BHAARO Cc1ccccc1[C@@H]([NH3+])C1CCC(C)CC1 ZINC000044983606 179324363 /nfs/dbraw/zinc/32/43/63/179324363.db2.gz DKTSNKIUBHRNPS-HGMXIMQMSA-N 1 0 217.356 3.821 50 0 BHAARO C[NH+](C)C12C=CC(c3ccccc31)c1ccccc12 ZINC000045028191 384369171 /nfs/dbraw/zinc/36/91/71/384369171.db2.gz RFEBOVJFIAZQFP-UHFFFAOYSA-N 1 0 247.341 3.507 50 0 BHAARO CCCCCC[NH2+]Cc1cn(C)c2ccccc12 ZINC000045945001 343536134 /nfs/dbraw/zinc/53/61/34/343536134.db2.gz JHQIAQKXAHVUIU-UHFFFAOYSA-N 1 0 244.382 3.848 50 0 BHAARO CCC[NH2+]Cc1cn(C(C)C)c2ccccc12 ZINC000045945124 169267859 /nfs/dbraw/zinc/26/78/59/169267859.db2.gz XXQDOQYVFLCJSM-UHFFFAOYSA-N 1 0 230.355 3.722 50 0 BHAARO CC(C)C[NH2+]Cc1cn(C(C)C)c2ccccc12 ZINC000045945132 167010485 /nfs/dbraw/zinc/01/04/85/167010485.db2.gz RAYRFMWZBJJSTQ-UHFFFAOYSA-N 1 0 244.382 3.968 50 0 BHAARO CC(C)[NH2+]Cc1cn(C(C)C)c2ccccc12 ZINC000045945152 167122127 /nfs/dbraw/zinc/12/21/27/167122127.db2.gz GALMPHPSYZCRAV-UHFFFAOYSA-N 1 0 230.355 3.720 50 0 BHAARO CCCn1cc(C[NH2+]C(C)(C)C)c2ccccc21 ZINC000045945185 343536233 /nfs/dbraw/zinc/53/62/33/343536233.db2.gz HUZAMIDAKWMCSV-UHFFFAOYSA-N 1 0 244.382 3.939 50 0 BHAARO CCCC[NH2+]Cc1cn(CCC)c2ccccc12 ZINC000045945192 384414045 /nfs/dbraw/zinc/41/40/45/384414045.db2.gz BNQWVVJGPKMDEJ-UHFFFAOYSA-N 1 0 244.382 3.941 50 0 BHAARO CCC[NH2+]Cc1cn(CCC)c2ccccc12 ZINC000045945221 169268873 /nfs/dbraw/zinc/26/88/73/169268873.db2.gz BITWOMVDAIYPIM-UHFFFAOYSA-N 1 0 230.355 3.551 50 0 BHAARO CCCn1cc(C[NH2+]CC(C)C)c2ccccc21 ZINC000045945229 343536131 /nfs/dbraw/zinc/53/61/31/343536131.db2.gz QEYUZUALKJSNIV-UHFFFAOYSA-N 1 0 244.382 3.797 50 0 BHAARO CCCn1cc(C[NH2+][C@@H](C)CC)c2ccccc21 ZINC000045945231 343536144 /nfs/dbraw/zinc/53/61/44/343536144.db2.gz AYSZNWHFFIBGRU-ZDUSSCGKSA-N 1 0 244.382 3.939 50 0 BHAARO CCCn1cc(C[NH2+][C@H](C)CC)c2ccccc21 ZINC000045945234 343536235 /nfs/dbraw/zinc/53/62/35/343536235.db2.gz AYSZNWHFFIBGRU-CYBMUJFWSA-N 1 0 244.382 3.939 50 0 BHAARO CCCn1cc(C[NH2+]C(C)C)c2ccccc21 ZINC000045945251 169618425 /nfs/dbraw/zinc/61/84/25/169618425.db2.gz OKRKFIUVTJKGCD-UHFFFAOYSA-N 1 0 230.355 3.549 50 0 BHAARO CCC(CC)[NH2+]Cc1cccc(C)c1C ZINC000048241910 168389271 /nfs/dbraw/zinc/38/92/71/168389271.db2.gz GPFAVRSYLOQBQX-UHFFFAOYSA-N 1 0 205.345 3.582 50 0 BHAARO Cc1ccsc1C[N@@H+](C)Cc1ccccc1 ZINC000048345325 343249332 /nfs/dbraw/zinc/24/93/32/343249332.db2.gz XNBWXIBWNXVBQQ-UHFFFAOYSA-N 1 0 231.364 3.689 50 0 BHAARO CCC(CC)C[NH2+]Cc1cccc(Cl)c1 ZINC000048408850 168361915 /nfs/dbraw/zinc/36/19/15/168361915.db2.gz FJTNVTQUBZMDLZ-UHFFFAOYSA-N 1 0 225.763 3.866 50 0 BHAARO Cc1cc(C)[n+](-c2cc(C)cc(C)c2)c(C)c1 ZINC000048546059 368377429 /nfs/dbraw/zinc/37/74/29/368377429.db2.gz ROVBUNBSXBFFTI-UHFFFAOYSA-N 1 0 226.343 3.505 50 0 BHAARO Cc1cc(C)[n+](-c2cccc(Cl)c2)c(C)c1 ZINC000048546061 368377485 /nfs/dbraw/zinc/37/74/85/368377485.db2.gz NRKOEKZGHXPHJW-UHFFFAOYSA-N 1 0 232.734 3.542 50 0 BHAARO Cc1cc(C)[n+](-c2cc(Cl)ccc2C)c(C)c1 ZINC000048546064 368377438 /nfs/dbraw/zinc/37/74/38/368377438.db2.gz HLCFTEAWFLTUPW-UHFFFAOYSA-N 1 0 246.761 3.850 50 0 BHAARO CC(C)[C@H]([NH2+]Cc1cccn1C)c1ccccc1 ZINC000049537919 386764066 /nfs/dbraw/zinc/76/40/66/386764066.db2.gz WGSOVTIHTBRXJH-INIZCTEOSA-N 1 0 242.366 3.512 50 0 BHAARO CC(C)[C@@H]([NH2+]Cc1cccn1C)c1ccccc1 ZINC000049537920 386763443 /nfs/dbraw/zinc/76/34/43/386763443.db2.gz WGSOVTIHTBRXJH-MRXNPFEDSA-N 1 0 242.366 3.512 50 0 BHAARO CCc1c(C)[nH]c(/C=C2\C=C(C)[NH+]=C2C)c1C ZINC000049812750 387423233 /nfs/dbraw/zinc/42/32/33/387423233.db2.gz ZKBQVBVOKHTSBR-MDWZMJQESA-N 1 0 228.339 3.956 50 0 BHAARO CCCCC[NH2+]Cc1cccc(C)c1C ZINC000049824950 384572457 /nfs/dbraw/zinc/57/24/57/384572457.db2.gz FWOKSPHILDRKBA-UHFFFAOYSA-N 1 0 205.345 3.583 50 0 BHAARO CC(C)(C)CC[NH2+][C@@H]1CCOc2ccccc21 ZINC000049854819 166572456 /nfs/dbraw/zinc/57/24/56/166572456.db2.gz FCPVGEUXXFFMEI-CYBMUJFWSA-N 1 0 233.355 3.536 50 0 BHAARO CC(C)(C)CC[NH2+][C@H]1CCOc2ccccc21 ZINC000049854822 387232224 /nfs/dbraw/zinc/23/22/24/387232224.db2.gz FCPVGEUXXFFMEI-ZDUSSCGKSA-N 1 0 233.355 3.536 50 0 BHAARO C(=C(c1ccccc1)c1ccccc1)[NH+]1CCC1 ZINC000049942671 166225181 /nfs/dbraw/zinc/22/51/81/166225181.db2.gz JBNLMQVUCWEKIW-UHFFFAOYSA-N 1 0 235.330 3.782 50 0 BHAARO CC(C)C[NH2+]Cc1csc2ccccc12 ZINC000049943189 167010156 /nfs/dbraw/zinc/01/01/56/167010156.db2.gz OQAXSPRYEYPRNI-UHFFFAOYSA-N 1 0 219.353 3.647 50 0 BHAARO c1ccc(Oc2cccc([C@@H]3CC[NH2+]C3)c2)cc1 ZINC000050267058 322930371 /nfs/dbraw/zinc/93/03/71/322930371.db2.gz ZJADPEADIOCGHB-CQSZACIVSA-N 1 0 239.318 3.556 50 0 BHAARO c1ccc(Oc2cccc([C@H]3CC[NH2+]C3)c2)cc1 ZINC000050267059 384612289 /nfs/dbraw/zinc/61/22/89/384612289.db2.gz ZJADPEADIOCGHB-AWEZNQCLSA-N 1 0 239.318 3.556 50 0 BHAARO Nc1cc[nH+]c2ccc(Oc3ccccc3)cc12 ZINC000050844055 181764899 /nfs/dbraw/zinc/76/48/99/181764899.db2.gz AMINKHDYIRALSJ-UHFFFAOYSA-N 1 0 236.274 3.609 50 0 BHAARO CC[C@@H](C)C[NH2+][C@@H](CC)c1ccccc1 ZINC000051626727 384675526 /nfs/dbraw/zinc/67/55/26/384675526.db2.gz OKMMZJORXQQPOE-OCCSQVGLSA-N 1 0 205.345 3.773 50 0 BHAARO CC[C@H](C)C[NH2+][C@@H](CC)c1ccccc1 ZINC000051626729 171286558 /nfs/dbraw/zinc/28/65/58/171286558.db2.gz OKMMZJORXQQPOE-JSGCOSHPSA-N 1 0 205.345 3.773 50 0 BHAARO CC[C@@H](C)C[NH2+][C@H](CC)c1ccccc1 ZINC000051626731 384675988 /nfs/dbraw/zinc/67/59/88/384675988.db2.gz OKMMZJORXQQPOE-TZMCWYRMSA-N 1 0 205.345 3.773 50 0 BHAARO CC[C@@H]([NH2+]C[C@@H](C)CC)c1ccccc1 ZINC000051626733 171288263 /nfs/dbraw/zinc/28/82/63/171288263.db2.gz OKMMZJORXQQPOE-GXTWGEPZSA-N 1 0 205.345 3.773 50 0 BHAARO CC1(C)[NH2+]CC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000051954877 343630251 /nfs/dbraw/zinc/63/02/51/343630251.db2.gz DHYPDDFXNXBVHT-NSHDSACASA-N 1 0 243.272 3.561 50 0 BHAARO CC1(C)[NH2+]CC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000051954878 343630579 /nfs/dbraw/zinc/63/05/79/343630579.db2.gz DHYPDDFXNXBVHT-LLVKDONJSA-N 1 0 243.272 3.561 50 0 BHAARO CC1(C)[NH2+]CC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000051954919 384705607 /nfs/dbraw/zinc/70/56/07/384705607.db2.gz JYVPZRVOFKMBSJ-NSHDSACASA-N 1 0 243.272 3.561 50 0 BHAARO CC1(C)[NH2+]CC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000051954921 187954524 /nfs/dbraw/zinc/95/45/24/187954524.db2.gz JYVPZRVOFKMBSJ-LLVKDONJSA-N 1 0 243.272 3.561 50 0 BHAARO C[C@@H](c1ccc(F)cc1)[N@H+](C)Cc1ccco1 ZINC000052805875 176015519 /nfs/dbraw/zinc/01/55/19/176015519.db2.gz WVUTXSKEHCJZIQ-NSHDSACASA-N 1 0 233.286 3.612 50 0 BHAARO C[C@H](c1ccc(F)cc1)[N@H+](C)Cc1ccco1 ZINC000052805877 177034299 /nfs/dbraw/zinc/03/42/99/177034299.db2.gz WVUTXSKEHCJZIQ-LLVKDONJSA-N 1 0 233.286 3.612 50 0 BHAARO Nc1ccc(-c2ccc(Cl)cc2Cl)cn1 ZINC000052886433 384752042 /nfs/dbraw/zinc/75/20/42/384752042.db2.gz ZNFTYJQTJXHFNC-UHFFFAOYSA-N 1 0 239.105 3.638 50 0 BHAARO CCC[NH2+]CC1(c2ccccc2)CCCCC1 ZINC000053737636 169256414 /nfs/dbraw/zinc/25/64/14/169256414.db2.gz GRRFIQJLXLYYPV-UHFFFAOYSA-N 1 0 231.383 3.888 50 0 BHAARO CC(C)(C)[C@H]([NH3+])c1cccc2ccccc21 ZINC000054439043 384839466 /nfs/dbraw/zinc/83/94/66/384839466.db2.gz FQTPRCXAYUOOGA-CQSZACIVSA-N 1 0 213.324 3.886 50 0 BHAARO CC(C)C1CCC([NH2+]C2CCCC2)CC1 ZINC000054554365 166755984 /nfs/dbraw/zinc/75/59/84/166755984.db2.gz UVNKZGSFEWYSLW-UHFFFAOYSA-N 1 0 209.377 3.733 50 0 BHAARO CC(C)CC[NH2+]C1CCC(C(C)C)CC1 ZINC000054554386 166858316 /nfs/dbraw/zinc/85/83/16/166858316.db2.gz LHHIOTSXEHEIEW-UHFFFAOYSA-N 1 0 211.393 3.837 50 0 BHAARO Clc1ccc2c(c1)C[NH2+][C@H](c1ccccc1)C2 ZINC000054684768 384847862 /nfs/dbraw/zinc/84/78/62/384847862.db2.gz YVATUSNBEIZRFD-HNNXBMFYSA-N 1 0 243.737 3.727 50 0 BHAARO Clc1ccc2c(c1)C[NH2+][C@@H](c1ccccc1)C2 ZINC000054684771 384844891 /nfs/dbraw/zinc/84/48/91/384844891.db2.gz YVATUSNBEIZRFD-OAHLLOKOSA-N 1 0 243.737 3.727 50 0 BHAARO Clc1ccccc1C[NH2+]Cc1cccs1 ZINC000054972820 384861890 /nfs/dbraw/zinc/86/18/90/384861890.db2.gz VYOTZYLTMQWWNO-UHFFFAOYSA-N 1 0 237.755 3.691 50 0 BHAARO [NH3+]C1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000055143693 181342377 /nfs/dbraw/zinc/34/23/77/181342377.db2.gz HZDGPXUHEDCCAS-UHFFFAOYSA-N 1 0 241.787 3.702 50 0 BHAARO Clc1ccc(Cl)c(CC2CC[NH2+]CC2)c1 ZINC000055230032 384877830 /nfs/dbraw/zinc/87/78/30/384877830.db2.gz RIVFNIMGRZEVHE-UHFFFAOYSA-N 1 0 244.165 3.536 50 0 BHAARO [NH3+][C@H]1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000055231033 384876121 /nfs/dbraw/zinc/87/61/21/384876121.db2.gz WRIJGHCYWSMVLS-RYUDHWBXSA-N 1 0 243.272 3.690 50 0 BHAARO [NH3+][C@H]1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000055231035 384877855 /nfs/dbraw/zinc/87/78/55/384877855.db2.gz WRIJGHCYWSMVLS-NEPJUHHUSA-N 1 0 243.272 3.690 50 0 BHAARO [NH3+][C@@H]1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000055231037 384876610 /nfs/dbraw/zinc/87/66/10/384876610.db2.gz WRIJGHCYWSMVLS-NWDGAFQWSA-N 1 0 243.272 3.690 50 0 BHAARO [NH3+][C@@H]1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000055231039 384876336 /nfs/dbraw/zinc/87/63/36/384876336.db2.gz WRIJGHCYWSMVLS-VXGBXAGGSA-N 1 0 243.272 3.690 50 0 BHAARO C[NH2+][C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000055231820 384875950 /nfs/dbraw/zinc/87/59/50/384875950.db2.gz CCHQLPASKAIUGA-VXGBXAGGSA-N 1 0 243.272 3.561 50 0 BHAARO C[NH2+][C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000055231822 384875545 /nfs/dbraw/zinc/87/55/45/384875545.db2.gz CCHQLPASKAIUGA-NEPJUHHUSA-N 1 0 243.272 3.561 50 0 BHAARO C[NH2+][C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000055231824 384876252 /nfs/dbraw/zinc/87/62/52/384876252.db2.gz CCHQLPASKAIUGA-NWDGAFQWSA-N 1 0 243.272 3.561 50 0 BHAARO C[NH2+][C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000055231826 384876706 /nfs/dbraw/zinc/87/67/06/384876706.db2.gz CCHQLPASKAIUGA-RYUDHWBXSA-N 1 0 243.272 3.561 50 0 BHAARO Clc1cccc(C[NH2+]Cc2cccs2)c1 ZINC000055568598 384887805 /nfs/dbraw/zinc/88/78/05/384887805.db2.gz VAHYGZPDVIWFJP-UHFFFAOYSA-N 1 0 237.755 3.691 50 0 BHAARO CC[N@@H+](c1ccc(N)cc1C)C1CCCCC1 ZINC000057381065 343687466 /nfs/dbraw/zinc/68/74/66/343687466.db2.gz BZTWIDHVBYILDA-UHFFFAOYSA-N 1 0 232.371 3.736 50 0 BHAARO c1ccc(C2(C[NH2+]C3CCCCC3)CC2)cc1 ZINC000057394813 183388148 /nfs/dbraw/zinc/38/81/48/183388148.db2.gz VVCFPFVPGMDSHR-UHFFFAOYSA-N 1 0 229.367 3.641 50 0 BHAARO [NH3+]C[C@H](CCCc1ccccc1)c1ccccc1 ZINC000057698424 388629756 /nfs/dbraw/zinc/62/97/56/388629756.db2.gz AZUGCMCIOSZPOB-KRWDZBQOSA-N 1 0 239.362 3.752 50 0 BHAARO [NH3+]C[C@@H](CCCc1ccccc1)c1ccccc1 ZINC000057698430 181417907 /nfs/dbraw/zinc/41/79/07/181417907.db2.gz AZUGCMCIOSZPOB-QGZVFWFLSA-N 1 0 239.362 3.752 50 0 BHAARO c1cc2c(cc1C1CCCCC1)C[NH2+]CCC2 ZINC000057953386 183366304 /nfs/dbraw/zinc/36/63/04/183366304.db2.gz AWHZGCYFSQUZFO-UHFFFAOYSA-N 1 0 229.367 3.770 50 0 BHAARO CC[N@@H+](c1ccc(N)c(C)c1)C1CCCCC1 ZINC000059233847 343707121 /nfs/dbraw/zinc/70/71/21/343707121.db2.gz RLZBSHOZSVRLIB-UHFFFAOYSA-N 1 0 232.371 3.736 50 0 BHAARO C#[N+]c1ccc(Cl)cc1C(F)(F)F ZINC000059440257 183317043 /nfs/dbraw/zinc/31/70/43/183317043.db2.gz QFCWXFYXZGOIPU-UHFFFAOYSA-N 1 0 205.566 3.910 50 0 BHAARO CC(C)(C)[C@H]([NH3+])Cc1ccccc1C(F)(F)F ZINC000063025348 385205154 /nfs/dbraw/zinc/20/51/54/385205154.db2.gz GFOGJSIAXBDJNA-LLVKDONJSA-N 1 0 245.288 3.621 50 0 BHAARO CC(C)(C)[C@@H]([NH3+])Cc1ccccc1C(F)(F)F ZINC000063025349 166695473 /nfs/dbraw/zinc/69/54/73/166695473.db2.gz GFOGJSIAXBDJNA-NSHDSACASA-N 1 0 245.288 3.621 50 0 BHAARO Cc1cc[n+](C23CC4CC(CC(C4)C2)C3)cc1C ZINC000065336771 178308641 /nfs/dbraw/zinc/30/86/41/178308641.db2.gz VHHZDJYUFZYTOF-UHFFFAOYSA-N 1 0 242.386 3.516 50 0 BHAARO Cc1cc(C)c[n+](C23CC4CC(CC(C4)C2)C3)c1 ZINC000065336772 398083373 /nfs/dbraw/zinc/08/33/73/398083373.db2.gz QFTWSTZIZQJKJH-UHFFFAOYSA-N 1 0 242.386 3.516 50 0 BHAARO CC1=CCC[N@@H+](C23CC4CC(CC(C4)C2)C3)C1 ZINC000065336776 168098483 /nfs/dbraw/zinc/09/84/83/168098483.db2.gz YBFIUUMCEXDWQY-UHFFFAOYSA-N 1 0 231.383 3.607 50 0 BHAARO CC1=CC[N@@H+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000065336778 168109459 /nfs/dbraw/zinc/10/94/59/168109459.db2.gz NIJQGPSAFZQYFU-UHFFFAOYSA-N 1 0 231.383 3.607 50 0 BHAARO CC1=C(C)C[N@@H+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000065336780 168083395 /nfs/dbraw/zinc/08/33/95/168083395.db2.gz YGBLEBZMILUBRL-UHFFFAOYSA-N 1 0 245.410 3.997 50 0 BHAARO CC1=C[C@H](C)C[N@@H+](C23CC4CC(CC(C4)C2)C3)C1 ZINC000065336782 168127704 /nfs/dbraw/zinc/12/77/04/168127704.db2.gz DCNOQQYZSSDGSB-NICGVCSZSA-N 1 0 245.410 3.853 50 0 BHAARO CC1=C[C@@H](C)C[N@@H+](C23CC4CC(CC(C4)C2)C3)C1 ZINC000065336783 168124158 /nfs/dbraw/zinc/12/41/58/168124158.db2.gz DCNOQQYZSSDGSB-LMWIKNPDSA-N 1 0 245.410 3.853 50 0 BHAARO C[N@H+](C/C=C/c1ccccc1)C(C1CC1)C1CC1 ZINC000065353313 388259535 /nfs/dbraw/zinc/25/95/35/388259535.db2.gz TYIPOOCDLIFLEV-VMPITWQZSA-N 1 0 241.378 3.820 50 0 BHAARO CC[C@@H](c1cccnc1)[N@H+](C)Cc1ccccc1 ZINC000065374633 343778915 /nfs/dbraw/zinc/77/89/15/343778915.db2.gz YNLUUUIGLRCYQY-INIZCTEOSA-N 1 0 240.350 3.665 50 0 BHAARO CC[C@H](c1cccnc1)[N@H+](C)Cc1ccccc1 ZINC000065374635 385304129 /nfs/dbraw/zinc/30/41/29/385304129.db2.gz YNLUUUIGLRCYQY-MRXNPFEDSA-N 1 0 240.350 3.665 50 0 BHAARO C[C@@H](c1cccc(-c2ncccc2F)c1)[NH+](C)C ZINC000065395455 176016336 /nfs/dbraw/zinc/01/63/36/176016336.db2.gz RZXABPBHWNCKSN-NSHDSACASA-N 1 0 244.313 3.510 50 0 BHAARO C[C@H](c1cccc(-c2ncccc2F)c1)[NH+](C)C ZINC000065395456 177034927 /nfs/dbraw/zinc/03/49/27/177034927.db2.gz RZXABPBHWNCKSN-LLVKDONJSA-N 1 0 244.313 3.510 50 0 BHAARO CSc1cccc(C[N@H+](C)CCC2CC2)c1 ZINC000065430561 136210742 /nfs/dbraw/zinc/21/07/42/136210742.db2.gz PJWXLCINRNQBFA-UHFFFAOYSA-N 1 0 235.396 3.640 50 0 BHAARO Nc1cc[nH+]cc1-c1ccc(Cl)cc1Cl ZINC000065491307 385316596 /nfs/dbraw/zinc/31/65/96/385316596.db2.gz KVPHDEUNIFCLDO-UHFFFAOYSA-N 1 0 239.105 3.638 50 0 BHAARO c1nc(-c2ccccc2)c(C2CCCC2)[nH]1 ZINC000065494423 183383919 /nfs/dbraw/zinc/38/39/19/183383919.db2.gz HOWITRGGNQTKBH-UHFFFAOYSA-N 1 0 212.296 3.734 50 0 BHAARO Cc1ccsc1C[N@@H+](C)[C@@H](C)c1ccccn1 ZINC000065500867 385317292 /nfs/dbraw/zinc/31/72/92/385317292.db2.gz VJQVBBCNYICFSA-LBPRGKRZSA-N 1 0 246.379 3.645 50 0 BHAARO Cc1ccsc1C[N@@H+](C)[C@H](C)c1ccccn1 ZINC000065500871 385317242 /nfs/dbraw/zinc/31/72/42/385317242.db2.gz VJQVBBCNYICFSA-GFCCVEGCSA-N 1 0 246.379 3.645 50 0 BHAARO Nc1cc[nH+]c(-c2cccc3ccsc32)c1 ZINC000065503625 388037471 /nfs/dbraw/zinc/03/74/71/388037471.db2.gz VOQZSJWXQLANLW-UHFFFAOYSA-N 1 0 226.304 3.546 50 0 BHAARO Cc1ccsc1C[N@H+](Cc1ccoc1)C1CC1 ZINC000065506192 409994869 /nfs/dbraw/zinc/99/48/69/409994869.db2.gz ZIOSPGYYRFKQPT-UHFFFAOYSA-N 1 0 247.363 3.814 50 0 BHAARO CC[C@@H](c1cccnc1)[N@H+](C)Cc1ccsc1 ZINC000065526398 343791405 /nfs/dbraw/zinc/79/14/05/343791405.db2.gz CGVYGIIDAROPBL-AWEZNQCLSA-N 1 0 246.379 3.726 50 0 BHAARO CC[C@H](c1cccnc1)[N@H+](C)Cc1ccsc1 ZINC000065526399 385322306 /nfs/dbraw/zinc/32/23/06/385322306.db2.gz CGVYGIIDAROPBL-CQSZACIVSA-N 1 0 246.379 3.726 50 0 BHAARO CC[C@@H](C[NH2+]C1CCCC1)Oc1cccc(C)c1 ZINC000066165242 389004326 /nfs/dbraw/zinc/00/43/26/389004326.db2.gz FQLLKCNUJLHRAG-HNNXBMFYSA-N 1 0 247.382 3.685 50 0 BHAARO CC[C@H](C[NH2+]C1CCCC1)Oc1cccc(C)c1 ZINC000066165243 389004316 /nfs/dbraw/zinc/00/43/16/389004316.db2.gz FQLLKCNUJLHRAG-OAHLLOKOSA-N 1 0 247.382 3.685 50 0 BHAARO Cc1ccc2[nH]cc(-c3ccc(C[NH3+])s3)c2c1 ZINC000067490432 383925502 /nfs/dbraw/zinc/92/55/02/383925502.db2.gz QVELAOHKNLBRAX-UHFFFAOYSA-N 1 0 242.347 3.664 50 0 BHAARO Cc1ccc2c(cccc2-c2cccc(C[NH3+])c2)n1 ZINC000067513583 383925064 /nfs/dbraw/zinc/92/50/64/383925064.db2.gz VZYYCUMNCGJGGW-UHFFFAOYSA-N 1 0 248.329 3.669 50 0 BHAARO [NH3+]Cc1ccccc1-c1ccc(F)c(Cl)c1 ZINC000067771448 383941714 /nfs/dbraw/zinc/94/17/14/383941714.db2.gz HHTZPCSVDLBPBW-UHFFFAOYSA-N 1 0 235.689 3.605 50 0 BHAARO [NH3+]CCc1ccccc1-c1cc2ccccc2o1 ZINC000067855071 388406799 /nfs/dbraw/zinc/40/67/99/388406799.db2.gz LEAHNZSFBKTRIX-UHFFFAOYSA-N 1 0 237.302 3.601 50 0 BHAARO [NH3+]Cc1cccc(Oc2ccccc2Cl)c1 ZINC000068983735 187785712 /nfs/dbraw/zinc/78/57/12/187785712.db2.gz CRNMUKQUKVMEHI-UHFFFAOYSA-N 1 0 233.698 3.591 50 0 BHAARO Cc1ccc(C[NH2+]Cc2ccc(F)cc2)cc1F ZINC000070160121 384762359 /nfs/dbraw/zinc/76/23/59/384762359.db2.gz IYRYPUXXIBNHOI-UHFFFAOYSA-N 1 0 247.288 3.563 50 0 BHAARO Cc1ccc(C[NH2+]Cc2cccc(F)c2)cc1F ZINC000070160136 384763102 /nfs/dbraw/zinc/76/31/02/384763102.db2.gz IFYWOMOXAXSHAX-UHFFFAOYSA-N 1 0 247.288 3.563 50 0 BHAARO CC[C@@H](C)[N@H+](CC=C(C)C)Cc1ccncc1 ZINC000071589586 643157718 /nfs/dbraw/zinc/15/77/18/643157718.db2.gz YCBMAZWMMKPOBG-CQSZACIVSA-N 1 0 232.371 3.648 50 0 BHAARO CC[C@H](C)[N@H+](CC=C(C)C)Cc1ccncc1 ZINC000071589587 171312333 /nfs/dbraw/zinc/31/23/33/171312333.db2.gz YCBMAZWMMKPOBG-AWEZNQCLSA-N 1 0 232.371 3.648 50 0 BHAARO CC(C)[N@H+](C)CCNc1cccc2ccccc21 ZINC000071773059 385938462 /nfs/dbraw/zinc/93/84/62/385938462.db2.gz XMBUEPWDHDSEIM-UHFFFAOYSA-N 1 0 242.366 3.592 50 0 BHAARO C[N@@H+]1CCC[C@@H]2CCC[C@@H](c3ccccc3)[C@@H]21 ZINC000071773127 173036179 /nfs/dbraw/zinc/03/61/79/173036179.db2.gz JOUQNHPNPHYSCX-HRCADAONSA-N 1 0 229.367 3.665 50 0 BHAARO c1cn(-c2ccccc2)c(Nc2ccccc2)[nH+]1 ZINC000071773332 384177985 /nfs/dbraw/zinc/17/79/85/384177985.db2.gz YZCLOPGTTDUJPI-UHFFFAOYSA-N 1 0 235.290 3.616 50 0 BHAARO C[NH+](C)C1=C(c2ccccc2)CCCC1 ZINC000071774097 385876927 /nfs/dbraw/zinc/87/69/27/385876927.db2.gz IUPNJNAQYRFXIH-UHFFFAOYSA-N 1 0 201.313 3.533 50 0 BHAARO Cc1cc2ccccc2c[n+]1C1CCCCC1 ZINC000072136761 178297463 /nfs/dbraw/zinc/29/74/63/178297463.db2.gz QYONYWKFBHJVSH-UHFFFAOYSA-N 1 0 226.343 3.941 50 0 BHAARO CCCOc1ccccc1[C@H]([NH3+])CC(C)C ZINC000072266416 169328024 /nfs/dbraw/zinc/32/80/24/169328024.db2.gz JXPFLVRPPYGTPC-CYBMUJFWSA-N 1 0 221.344 3.521 50 0 BHAARO CCCOc1ccccc1[C@@H]([NH3+])CC(C)C ZINC000072266417 169327752 /nfs/dbraw/zinc/32/77/52/169327752.db2.gz JXPFLVRPPYGTPC-ZDUSSCGKSA-N 1 0 221.344 3.521 50 0 BHAARO CC(C)COc1ccccc1[C@@H]([NH3+])CC(C)C ZINC000072266418 384203369 /nfs/dbraw/zinc/20/33/69/384203369.db2.gz UCEGIXWLHYMYGM-AWEZNQCLSA-N 1 0 235.371 3.767 50 0 BHAARO CC(C)COc1ccccc1[C@H]([NH3+])CC(C)C ZINC000072266419 188131336 /nfs/dbraw/zinc/13/13/36/188131336.db2.gz UCEGIXWLHYMYGM-CQSZACIVSA-N 1 0 235.371 3.767 50 0 BHAARO CC1CC[NH+]([C@@H]2CCc3c2cccc3F)CC1 ZINC000072309389 343265129 /nfs/dbraw/zinc/26/51/29/343265129.db2.gz MUKOIHJDEIVXMW-OAHLLOKOSA-N 1 0 233.330 3.545 50 0 BHAARO CC1CC[NH+]([C@H]2CCc3c2cccc3F)CC1 ZINC000072309390 343264953 /nfs/dbraw/zinc/26/49/53/343264953.db2.gz MUKOIHJDEIVXMW-HNNXBMFYSA-N 1 0 233.330 3.545 50 0 BHAARO CCCC(CCC)[NH2+]C[C@H](O)c1ccc(C)cc1 ZINC000072313673 344481947 /nfs/dbraw/zinc/48/19/47/344481947.db2.gz MKGJBIRSGBABRC-INIZCTEOSA-N 1 0 249.398 3.587 50 0 BHAARO CCCC(CCC)[NH2+]C[C@@H](O)c1ccc(C)cc1 ZINC000072313674 343547215 /nfs/dbraw/zinc/54/72/15/343547215.db2.gz MKGJBIRSGBABRC-MRXNPFEDSA-N 1 0 249.398 3.587 50 0 BHAARO CC[C@@H](c1ccccc1)[N@@H+]1CCSC(C)(C)C1 ZINC000075107723 356840079 /nfs/dbraw/zinc/84/00/79/356840079.db2.gz RGBZDCHMVVBXBD-AWEZNQCLSA-N 1 0 249.423 3.965 50 0 BHAARO CC[C@H](c1ccccc1)[N@@H+]1CCSC(C)(C)C1 ZINC000075107726 356840349 /nfs/dbraw/zinc/84/03/49/356840349.db2.gz RGBZDCHMVVBXBD-CQSZACIVSA-N 1 0 249.423 3.965 50 0 BHAARO Cc1ccc(Nc2cc(C)[nH+]cc2C)cc1 ZINC000075252275 358099070 /nfs/dbraw/zinc/09/90/70/358099070.db2.gz KYNAJVXREUKFIK-UHFFFAOYSA-N 1 0 212.296 3.750 50 0 BHAARO Cc1ccc2[nH]c3c(c2c1)[C@H]1CCCC[C@@H]1[NH2+]C3 ZINC000075253641 356916237 /nfs/dbraw/zinc/91/62/37/356916237.db2.gz WKYYAYHSGLQFIB-AAEUAGOBSA-N 1 0 240.350 3.606 50 0 BHAARO Cc1ccc2[nH]c3c(c2c1)[C@H]1CCCC[C@H]1[NH2+]C3 ZINC000075253644 356915893 /nfs/dbraw/zinc/91/58/93/356915893.db2.gz WKYYAYHSGLQFIB-WCQYABFASA-N 1 0 240.350 3.606 50 0 BHAARO Cc1ccc2[nH]c3c(c2c1)[C@@H]1CCCC[C@@H]1[NH2+]C3 ZINC000075253647 356916198 /nfs/dbraw/zinc/91/61/98/356916198.db2.gz WKYYAYHSGLQFIB-YPMHNXCESA-N 1 0 240.350 3.606 50 0 BHAARO Cc1ccc2[nH]c3c(c2c1)[C@@H]1CCCC[C@H]1[NH2+]C3 ZINC000075253650 356915889 /nfs/dbraw/zinc/91/58/89/356915889.db2.gz WKYYAYHSGLQFIB-DGCLKSJQSA-N 1 0 240.350 3.606 50 0 BHAARO C[C@@H]1CC[C@]2(C)C3=C(CCCC3)CC[N@@H+]2C1 ZINC000075284057 356939352 /nfs/dbraw/zinc/93/93/52/356939352.db2.gz VVFRNCRIUGQNSU-IUODEOHRSA-N 1 0 219.372 3.751 50 0 BHAARO C[C@H]1CC[C@]2(C)C3=C(CCCC3)CC[N@@H+]2C1 ZINC000075284058 356939307 /nfs/dbraw/zinc/93/93/07/356939307.db2.gz VVFRNCRIUGQNSU-SWLSCSKDSA-N 1 0 219.372 3.751 50 0 BHAARO C[C@@H]1CC[C@@]2(C)C3=C(CCCC3)CC[N@@H+]2C1 ZINC000075284060 356939671 /nfs/dbraw/zinc/93/96/71/356939671.db2.gz VVFRNCRIUGQNSU-DOMZBBRYSA-N 1 0 219.372 3.751 50 0 BHAARO C[NH+](C)Cc1ccc(C2CCCCC2)cc1 ZINC000075841205 384764753 /nfs/dbraw/zinc/76/47/53/384764753.db2.gz WLSHBFVDNUDRRC-UHFFFAOYSA-N 1 0 217.356 3.796 50 0 BHAARO [NH3+]CC[C@H](CCc1ccccc1)c1ccccc1 ZINC000076621594 181407330 /nfs/dbraw/zinc/40/73/30/181407330.db2.gz BXXWFBYYNGNPPK-KRWDZBQOSA-N 1 0 239.362 3.752 50 0 BHAARO [NH3+]CC[C@@H](CCc1ccccc1)c1ccccc1 ZINC000076621600 388668541 /nfs/dbraw/zinc/66/85/41/388668541.db2.gz BXXWFBYYNGNPPK-QGZVFWFLSA-N 1 0 239.362 3.752 50 0 BHAARO Clc1ccc(Cl)c(C=C2CC[NH2+]CC2)c1 ZINC000078210674 384433991 /nfs/dbraw/zinc/43/39/91/384433991.db2.gz JBWLXUYSQGHSHS-UHFFFAOYSA-N 1 0 242.149 3.760 50 0 BHAARO Cc1csc(C[N@@H+](C)C2CCCCCC2)n1 ZINC000078970920 388741506 /nfs/dbraw/zinc/74/15/06/388741506.db2.gz VKZDPYYJLIUCEJ-UHFFFAOYSA-N 1 0 238.400 3.606 50 0 BHAARO Clc1ccc2oc(C3CC[NH2+]CC3)cc2c1 ZINC000083111124 388046581 /nfs/dbraw/zinc/04/65/81/388046581.db2.gz SMTVIQNTGQBNBP-UHFFFAOYSA-N 1 0 235.714 3.553 50 0 BHAARO Cc1cccc(C)c1C[NH2+]Cc1ccc(F)cc1 ZINC000083371859 179036565 /nfs/dbraw/zinc/03/65/65/179036565.db2.gz WRLNWUPETZHGSD-UHFFFAOYSA-N 1 0 243.325 3.732 50 0 BHAARO c1cc(C[NH+]2CCC3(CCCCC3)CC2)ccn1 ZINC000084615146 183340098 /nfs/dbraw/zinc/34/00/98/183340098.db2.gz GKLGAIDSLDZOJF-UHFFFAOYSA-N 1 0 244.382 3.628 50 0 BHAARO CC[C@@H]1CCCC[N@@H+]1c1ccc2c(c1)CCCN2 ZINC000084895982 384905759 /nfs/dbraw/zinc/90/57/59/384905759.db2.gz ZYPCBMHDMVCDDU-CQSZACIVSA-N 1 0 244.382 3.814 50 0 BHAARO CC[C@H]1CCCC[N@@H+]1c1ccc2c(c1)CCCN2 ZINC000084895984 384906401 /nfs/dbraw/zinc/90/64/01/384906401.db2.gz ZYPCBMHDMVCDDU-AWEZNQCLSA-N 1 0 244.382 3.814 50 0 BHAARO C[C@]1(Cc2ccc(Cl)c(Cl)c2)CCC[NH2+]1 ZINC000085698139 357255039 /nfs/dbraw/zinc/25/50/39/357255039.db2.gz IYSBVRYWQUWLEY-GFCCVEGCSA-N 1 0 244.165 3.678 50 0 BHAARO C[C@@]1(Cc2ccc(Cl)c(Cl)c2)CCC[NH2+]1 ZINC000085698141 357254821 /nfs/dbraw/zinc/25/48/21/357254821.db2.gz IYSBVRYWQUWLEY-LBPRGKRZSA-N 1 0 244.165 3.678 50 0 BHAARO CCC[NH2+][C@@H]1CCCc2c3cc(C)ccc3[nH]c21 ZINC000087816817 256532391 /nfs/dbraw/zinc/53/23/91/256532391.db2.gz CUCDPMNKELLOQC-OAHLLOKOSA-N 1 0 242.366 3.853 50 0 BHAARO CCC[NH2+][C@H]1CCCc2c3cc(C)ccc3[nH]c21 ZINC000087816818 385099151 /nfs/dbraw/zinc/09/91/51/385099151.db2.gz CUCDPMNKELLOQC-HNNXBMFYSA-N 1 0 242.366 3.853 50 0 BHAARO C[NH2+]C[C@@H](CCc1ccccc1)c1ccccc1 ZINC000087962273 173364606 /nfs/dbraw/zinc/36/46/06/173364606.db2.gz MLYVHOUEXDMKBE-QGZVFWFLSA-N 1 0 239.362 3.622 50 0 BHAARO C[NH2+]C[C@H](CCc1ccccc1)c1ccccc1 ZINC000087962275 173376032 /nfs/dbraw/zinc/37/60/32/173376032.db2.gz MLYVHOUEXDMKBE-KRWDZBQOSA-N 1 0 239.362 3.622 50 0 BHAARO CC[C@H](C)[C@@H](C)[NH2+][C@H](C)c1ccccc1 ZINC000088161909 171367001 /nfs/dbraw/zinc/36/70/01/171367001.db2.gz PXEVECSHSZZQEI-YNEHKIRRSA-N 1 0 205.345 3.772 50 0 BHAARO CC[C@H](C)[C@H](C)[NH2+][C@H](C)c1ccccc1 ZINC000088161911 171390269 /nfs/dbraw/zinc/39/02/69/171390269.db2.gz PXEVECSHSZZQEI-RWMBFGLXSA-N 1 0 205.345 3.772 50 0 BHAARO CSCCC[N@@H+]1CCC[C@H]1c1cccc(C)c1 ZINC000089669436 175481723 /nfs/dbraw/zinc/48/17/23/175481723.db2.gz UHGSUZQJZMUOFR-HNNXBMFYSA-N 1 0 249.423 3.885 50 0 BHAARO CSCCC[N@@H+]1CCC[C@@H]1c1cccc(C)c1 ZINC000089669438 388359404 /nfs/dbraw/zinc/35/94/04/388359404.db2.gz UHGSUZQJZMUOFR-OAHLLOKOSA-N 1 0 249.423 3.885 50 0 BHAARO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1C1CCCC1 ZINC000089922504 388373730 /nfs/dbraw/zinc/37/37/30/388373730.db2.gz JXLQZRKEOUWIFO-DYEKYZERSA-N 1 0 207.361 3.582 50 0 BHAARO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1C1CCCC1 ZINC000089922508 388373558 /nfs/dbraw/zinc/37/35/58/388373558.db2.gz JXLQZRKEOUWIFO-BZPMIXESSA-N 1 0 207.361 3.582 50 0 BHAARO CCCC[N@H+](C)[C@@H]1CCc2ccc(F)cc21 ZINC000089953515 388376214 /nfs/dbraw/zinc/37/62/14/388376214.db2.gz NEKNRSUPAMMITJ-CQSZACIVSA-N 1 0 221.319 3.545 50 0 BHAARO CCCC[N@H+](C)[C@H]1CCc2ccc(F)cc21 ZINC000089953517 388376571 /nfs/dbraw/zinc/37/65/71/388376571.db2.gz NEKNRSUPAMMITJ-AWEZNQCLSA-N 1 0 221.319 3.545 50 0 BHAARO c1ccc([C@@H]2C[C@@H]2C[NH2+]C2CCCCC2)cc1 ZINC000090715128 487989567 /nfs/dbraw/zinc/98/95/67/487989567.db2.gz DSRYONOZWILMSP-ZBFHGGJFSA-N 1 0 229.367 3.712 50 0 BHAARO c1ccc([C@H]2C[C@@H]2C[NH2+]C2CCCCC2)cc1 ZINC000090715129 183433150 /nfs/dbraw/zinc/43/31/50/183433150.db2.gz DSRYONOZWILMSP-GDBMZVCRSA-N 1 0 229.367 3.712 50 0 BHAARO c1ccc([C@@H]2C[C@H]2C[NH2+]C2CCCCC2)cc1 ZINC000090715130 487989437 /nfs/dbraw/zinc/98/94/37/487989437.db2.gz DSRYONOZWILMSP-HOCLYGCPSA-N 1 0 229.367 3.712 50 0 BHAARO c1ccc([C@H]2C[C@H]2C[NH2+]C2CCCCC2)cc1 ZINC000090715131 183433591 /nfs/dbraw/zinc/43/35/91/183433591.db2.gz DSRYONOZWILMSP-GOEBONIOSA-N 1 0 229.367 3.712 50 0 BHAARO C[C@@H](CC1CCCC1)[NH2+]Cc1ccccc1 ZINC000090767749 487998895 /nfs/dbraw/zinc/99/88/95/487998895.db2.gz SQXFFZXDMLJHMX-ZDUSSCGKSA-N 1 0 217.356 3.745 50 0 BHAARO C[C@H](CC1CCCC1)[NH2+]Cc1ccccc1 ZINC000090767758 219828315 /nfs/dbraw/zinc/82/83/15/219828315.db2.gz SQXFFZXDMLJHMX-CYBMUJFWSA-N 1 0 217.356 3.745 50 0 BHAARO C[C@]1(Cc2cccc3ccccc32)CCC[NH2+]1 ZINC000091440479 259452801 /nfs/dbraw/zinc/45/28/01/259452801.db2.gz GMZZUKMKNZTVAV-MRXNPFEDSA-N 1 0 225.335 3.524 50 0 BHAARO C[C@@]1(Cc2cccc3ccccc32)CCC[NH2+]1 ZINC000091440483 386966290 /nfs/dbraw/zinc/96/62/90/386966290.db2.gz GMZZUKMKNZTVAV-INIZCTEOSA-N 1 0 225.335 3.524 50 0 BHAARO CC(C)(C)c1ccc(C[C@@]2(C)CCC[NH2+]2)cc1 ZINC000091440491 398128357 /nfs/dbraw/zinc/12/83/57/398128357.db2.gz XSFMVZNRSNRPCV-MRXNPFEDSA-N 1 0 231.383 3.669 50 0 BHAARO CC(C)(C)c1ccc(C[C@]2(C)CCC[NH2+]2)cc1 ZINC000091440492 398128651 /nfs/dbraw/zinc/12/86/51/398128651.db2.gz XSFMVZNRSNRPCV-INIZCTEOSA-N 1 0 231.383 3.669 50 0 BHAARO C[C@H]([NH2+]Cc1ccccc1)c1cccnc1Cl ZINC000095419223 388768281 /nfs/dbraw/zinc/76/82/81/388768281.db2.gz CJFGJZTVEFVKQX-NSHDSACASA-N 1 0 246.741 3.586 50 0 BHAARO C[C@@H]([NH2+]Cc1ccccc1)c1cccnc1Cl ZINC000095419224 388767184 /nfs/dbraw/zinc/76/71/84/388767184.db2.gz CJFGJZTVEFVKQX-LLVKDONJSA-N 1 0 246.741 3.586 50 0 BHAARO Cc1ccccc1C[NH+](C(C)C)C(C)C ZINC000095430200 179267309 /nfs/dbraw/zinc/26/73/09/179267309.db2.gz JDQKFMWOGOAWFA-UHFFFAOYSA-N 1 0 205.345 3.614 50 0 BHAARO CCC[C@H](C)C[NH2+][C@@H]1CCO[C@@H]1c1ccccc1 ZINC000095450163 388773164 /nfs/dbraw/zinc/77/31/64/388773164.db2.gz SEFQNTHFGAPZIL-NUEKZKHPSA-N 1 0 247.382 3.542 50 0 BHAARO CCC[C@H](C)C[NH2+][C@H]1CCO[C@@H]1c1ccccc1 ZINC000095450165 398318859 /nfs/dbraw/zinc/31/88/59/398318859.db2.gz SEFQNTHFGAPZIL-CWRNSKLLSA-N 1 0 247.382 3.542 50 0 BHAARO CCC(C)(C)C[NH+]1CCC(OC(C)(C)C)CC1 ZINC000095452722 168278005 /nfs/dbraw/zinc/27/80/05/168278005.db2.gz HRAMXDMPHZUBJW-UHFFFAOYSA-N 1 0 241.419 3.702 50 0 BHAARO Cc1cccnc1C[N@@H+](C)C1CCCCCCC1 ZINC000095459075 179371238 /nfs/dbraw/zinc/37/12/38/179371238.db2.gz GRGANHGCPIDFDU-UHFFFAOYSA-N 1 0 246.398 3.935 50 0 BHAARO CCCCCC[NH2+][C@@H](c1ccncc1)C(C)C ZINC000095462607 388774057 /nfs/dbraw/zinc/77/40/57/388774057.db2.gz ZWEGIVBCXMXQON-OAHLLOKOSA-N 1 0 234.387 3.949 50 0 BHAARO CCCCCC[NH2+][C@H](c1ccncc1)C(C)C ZINC000095462608 388775283 /nfs/dbraw/zinc/77/52/83/388775283.db2.gz ZWEGIVBCXMXQON-HNNXBMFYSA-N 1 0 234.387 3.949 50 0 BHAARO Cc1cc2ccccc2c(N2CCCCCC2)[nH+]1 ZINC000095465979 178297543 /nfs/dbraw/zinc/29/75/43/178297543.db2.gz KVNWASWFNDHNJX-UHFFFAOYSA-N 1 0 240.350 3.924 50 0 BHAARO Cc1cc(C)c(C[N@@H+]2CCCSCC2)cc1C ZINC000095468621 388774702 /nfs/dbraw/zinc/77/47/02/388774702.db2.gz FJMVWRQIWLVCQM-UHFFFAOYSA-N 1 0 249.423 3.551 50 0 BHAARO CC[C@@H]([NH3+])c1ccc(Cl)cc1C(F)(F)F ZINC000095666664 371320038 /nfs/dbraw/zinc/32/00/38/371320038.db2.gz OHUBLSNGHTXBQY-SECBINFHSA-N 1 0 237.652 3.769 50 0 BHAARO CC[C@H]([NH3+])c1ccc(Cl)cc1C(F)(F)F ZINC000095683497 346857386 /nfs/dbraw/zinc/85/73/86/346857386.db2.gz OHUBLSNGHTXBQY-VIFPVBQESA-N 1 0 237.652 3.769 50 0 BHAARO C#[N+]c1ccc(Cl)c(C(F)(F)F)c1 ZINC000095698040 183317161 /nfs/dbraw/zinc/31/71/61/183317161.db2.gz XMZKWPWUSVCHQX-UHFFFAOYSA-N 1 0 205.566 3.910 50 0 BHAARO C#[N+]c1cc(C(F)(F)F)ccc1Cl ZINC000095698041 183317082 /nfs/dbraw/zinc/31/70/82/183317082.db2.gz YIIXVYUXPQFHIO-UHFFFAOYSA-N 1 0 205.566 3.910 50 0 BHAARO C#[N+]c1ccc(Br)cc1Cl ZINC000095698354 183317449 /nfs/dbraw/zinc/31/74/49/183317449.db2.gz LGEHQADFMJPXKP-UHFFFAOYSA-N 1 0 216.465 3.653 50 0 BHAARO C#[N+]c1ccc(OCc2ccccc2)cc1 ZINC000095698375 183316958 /nfs/dbraw/zinc/31/69/58/183316958.db2.gz MOIWVJYGBWLIEW-UHFFFAOYSA-N 1 0 209.248 3.816 50 0 BHAARO CCC[NH2+]CC(c1ccccc1)c1ccccc1 ZINC000095918265 169256367 /nfs/dbraw/zinc/25/63/67/169256367.db2.gz BMKCOTXYQMTSOP-UHFFFAOYSA-N 1 0 239.362 3.818 50 0 BHAARO C[N@H+](Cc1ccccc1)C1CCCCCC1 ZINC000095946870 388793641 /nfs/dbraw/zinc/79/36/41/388793641.db2.gz AMINYTWEMOODJO-UHFFFAOYSA-N 1 0 217.356 3.841 50 0 BHAARO CC(C)C[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000095948719 384418507 /nfs/dbraw/zinc/41/85/07/384418507.db2.gz ZMDOMOVXCUBOBB-CYBMUJFWSA-N 1 0 205.345 3.553 50 0 BHAARO CC(C)C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000095948720 187288907 /nfs/dbraw/zinc/28/89/07/187288907.db2.gz ZMDOMOVXCUBOBB-ZDUSSCGKSA-N 1 0 205.345 3.553 50 0 BHAARO CCSCC[N@H+](CC)Cc1ccccc1C ZINC000095960394 388796179 /nfs/dbraw/zinc/79/61/79/388796179.db2.gz HGGIKCYNGIFUCL-UHFFFAOYSA-N 1 0 237.412 3.570 50 0 BHAARO C[C@H]([NH2+]Cc1cccc(Cl)c1)C1CCC1 ZINC000095967076 388795203 /nfs/dbraw/zinc/79/52/03/388795203.db2.gz BRMRSNMBWRAXFM-JTQLQIEISA-N 1 0 223.747 3.618 50 0 BHAARO C[C@@H]([NH2+]Cc1cccc(Cl)c1)C1CCC1 ZINC000095967077 175899243 /nfs/dbraw/zinc/89/92/43/175899243.db2.gz BRMRSNMBWRAXFM-SNVBAGLBSA-N 1 0 223.747 3.618 50 0 BHAARO Cc1cnc(C[NH2+]C2CCCCCCC2)s1 ZINC000095968619 388795465 /nfs/dbraw/zinc/79/54/65/388795465.db2.gz WKAYLUYPYMONHS-UHFFFAOYSA-N 1 0 238.400 3.654 50 0 BHAARO C[C@@H]([NH2+]C1CCSCC1)[C@@H](C)c1ccccc1 ZINC000095968867 176022835 /nfs/dbraw/zinc/02/28/35/176022835.db2.gz XSYCQOKMHRGRJK-CHWSQXEVSA-N 1 0 249.423 3.664 50 0 BHAARO C[C@@H]([NH2+]C1CCSCC1)[C@H](C)c1ccccc1 ZINC000095968868 385890540 /nfs/dbraw/zinc/89/05/40/385890540.db2.gz XSYCQOKMHRGRJK-QWHCGFSZSA-N 1 0 249.423 3.664 50 0 BHAARO C[C@H]([NH2+]C1CCSCC1)[C@@H](C)c1ccccc1 ZINC000095968869 385890940 /nfs/dbraw/zinc/89/09/40/385890940.db2.gz XSYCQOKMHRGRJK-OLZOCXBDSA-N 1 0 249.423 3.664 50 0 BHAARO C[C@H](c1ccccc1)[C@H](C)[NH2+]C1CCSCC1 ZINC000095968870 176831190 /nfs/dbraw/zinc/83/11/90/176831190.db2.gz XSYCQOKMHRGRJK-STQMWFEESA-N 1 0 249.423 3.664 50 0 BHAARO CCOCCCC[NH2+]CC1(C)CCCCCC1 ZINC000096002072 170369617 /nfs/dbraw/zinc/36/96/17/170369617.db2.gz VENPCHAFLIAIKB-UHFFFAOYSA-N 1 0 241.419 3.753 50 0 BHAARO CCCC1([NH+]2CCCCC2)CCCCC1 ZINC000096026668 371381190 /nfs/dbraw/zinc/38/11/90/371381190.db2.gz XRGQWTFAQMHZNS-UHFFFAOYSA-N 1 0 209.377 3.975 50 0 BHAARO CCCC[N@H+](C)CCSc1ccccc1C ZINC000096026686 371381314 /nfs/dbraw/zinc/38/13/14/371381314.db2.gz JFGDJNJALTYYEN-UHFFFAOYSA-N 1 0 237.412 3.819 50 0 BHAARO CC[N@H+](C)C1(c2ccccc2)CCCCC1 ZINC000096026710 371381564 /nfs/dbraw/zinc/38/15/64/371381564.db2.gz MGDJUVKRKGOTEA-UHFFFAOYSA-N 1 0 217.356 3.798 50 0 BHAARO CCCc1ccccc1OCC[NH2+]CCC(C)C ZINC000096026807 371380838 /nfs/dbraw/zinc/38/08/38/371380838.db2.gz FRPMTGMJARIGEU-UHFFFAOYSA-N 1 0 249.398 3.654 50 0 BHAARO Cc1cccc([C@@]23CCCC[C@@H]2CCC[NH2+]3)c1 ZINC000096026856 371380850 /nfs/dbraw/zinc/38/08/50/371380850.db2.gz QCXFOUMRLGBMSF-GDBMZVCRSA-N 1 0 229.367 3.764 50 0 BHAARO Cc1cccc([C@]23CCCC[C@@H]2CCC[NH2+]3)c1 ZINC000096026857 371381399 /nfs/dbraw/zinc/38/13/99/371381399.db2.gz QCXFOUMRLGBMSF-ZBFHGGJFSA-N 1 0 229.367 3.764 50 0 BHAARO Cc1cccc([C@@]23CCCC[C@H]2CCC[NH2+]3)c1 ZINC000096026858 342695808 /nfs/dbraw/zinc/69/58/08/342695808.db2.gz QCXFOUMRLGBMSF-GOEBONIOSA-N 1 0 229.367 3.764 50 0 BHAARO Cc1cccc([C@]23CCCC[C@H]2CCC[NH2+]3)c1 ZINC000096026859 342695851 /nfs/dbraw/zinc/69/58/51/342695851.db2.gz QCXFOUMRLGBMSF-HOCLYGCPSA-N 1 0 229.367 3.764 50 0 BHAARO CC(C)[NH+](CCCC1(O)CCCCC1)C(C)C ZINC000096026888 371381263 /nfs/dbraw/zinc/38/12/63/371381263.db2.gz ZIFMTLBDJQLLAP-UHFFFAOYSA-N 1 0 241.419 3.581 50 0 BHAARO C[NH+](C)C(C)(C)C(C)(C)Cc1ccccc1 ZINC000096026987 371380830 /nfs/dbraw/zinc/38/08/30/371380830.db2.gz OIHANLXARUIATE-UHFFFAOYSA-N 1 0 219.372 3.596 50 0 BHAARO c1ccc(C2([C@@H]3CCCC[NH2+]3)CCCC2)cc1 ZINC000096027021 342694927 /nfs/dbraw/zinc/69/49/27/342694927.db2.gz SJBKNJLQLJMGTF-HNNXBMFYSA-N 1 0 229.367 3.641 50 0 BHAARO c1ccc(C2([C@H]3CCCC[NH2+]3)CCCC2)cc1 ZINC000096027022 342695087 /nfs/dbraw/zinc/69/50/87/342695087.db2.gz SJBKNJLQLJMGTF-OAHLLOKOSA-N 1 0 229.367 3.641 50 0 BHAARO C[N@@H+]1CCCC[C@@H]1C1(c2ccccc2)CCCC1 ZINC000096027027 371380914 /nfs/dbraw/zinc/38/09/14/371380914.db2.gz LIZBNBVZYITJTA-MRXNPFEDSA-N 1 0 243.394 3.983 50 0 BHAARO C[N@@H+]1CCCC[C@H]1C1(c2ccccc2)CCCC1 ZINC000096027028 371381136 /nfs/dbraw/zinc/38/11/36/371381136.db2.gz LIZBNBVZYITJTA-INIZCTEOSA-N 1 0 243.394 3.983 50 0 BHAARO C[C@@H]1CCC[C@@]1(c1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000096027029 371381129 /nfs/dbraw/zinc/38/11/29/371381129.db2.gz ZXEQNXYHWFKBDF-HYVNUMGLSA-N 1 0 243.394 3.887 50 0 BHAARO C[C@@H]1CCC[C@]1(c1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000096027031 371381049 /nfs/dbraw/zinc/38/10/49/371381049.db2.gz ZXEQNXYHWFKBDF-PVAVHDDUSA-N 1 0 243.394 3.887 50 0 BHAARO Cc1ccccc1[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC000096027169 371382541 /nfs/dbraw/zinc/38/25/41/371382541.db2.gz JVJVUMAHCRTZHP-GJZGRUSLSA-N 1 0 217.356 3.583 50 0 BHAARO Cc1ccccc1[C@H]1CCCC[C@@H]1[NH+](C)C ZINC000096027170 371382417 /nfs/dbraw/zinc/38/24/17/371382417.db2.gz JVJVUMAHCRTZHP-CABCVRRESA-N 1 0 217.356 3.583 50 0 BHAARO Cc1ccccc1[C@@H]1CCCC[C@H]1[NH+](C)C ZINC000096027171 371382392 /nfs/dbraw/zinc/38/23/92/371382392.db2.gz JVJVUMAHCRTZHP-LSDHHAIUSA-N 1 0 217.356 3.583 50 0 BHAARO Cc1ccccc1[C@H]1CCCC[C@H]1[NH+](C)C ZINC000096027172 371382378 /nfs/dbraw/zinc/38/23/78/371382378.db2.gz JVJVUMAHCRTZHP-HUUCEWRRSA-N 1 0 217.356 3.583 50 0 BHAARO CC(C)(Cc1ccc(Cl)cc1)[NH+]1CCCC1 ZINC000096027557 371378899 /nfs/dbraw/zinc/37/88/99/371378899.db2.gz UOQRNIBLLKKAOR-UHFFFAOYSA-N 1 0 237.774 3.757 50 0 BHAARO Cc1cccc(C2=C(c3ccccc3)CC[NH2+]C2)c1 ZINC000096027628 371382377 /nfs/dbraw/zinc/38/23/77/371382377.db2.gz OLTKKMFUZJWUBK-UHFFFAOYSA-N 1 0 249.357 3.899 50 0 BHAARO Cc1ccccc1C1=C(c2ccccc2)CC[NH2+]C1 ZINC000096027629 371382282 /nfs/dbraw/zinc/38/22/82/371382282.db2.gz NJUPRNLBASDAJX-UHFFFAOYSA-N 1 0 249.357 3.899 50 0 BHAARO CC(C)(Cc1ccccc1)[NH+]1CCCCCC1 ZINC000096027711 371382464 /nfs/dbraw/zinc/38/24/64/371382464.db2.gz UEFWHYBNEWKHMR-UHFFFAOYSA-N 1 0 231.383 3.884 50 0 BHAARO C[C@@H]1CC[C@H](C)[N@H+]1CCCC(=O)c1ccccc1 ZINC000096027800 256643022 /nfs/dbraw/zinc/64/30/22/256643022.db2.gz HGKYRGFXUDYROZ-OKILXGFUSA-N 1 0 245.366 3.522 50 0 BHAARO C[C@H]1CC[C@H](C)[NH+]1CCCC(=O)c1ccccc1 ZINC000096027801 388805438 /nfs/dbraw/zinc/80/54/38/388805438.db2.gz HGKYRGFXUDYROZ-KBPBESRZSA-N 1 0 245.366 3.522 50 0 BHAARO C[C@@H]1CC[C@@H](C)[NH+]1CCCC(=O)c1ccccc1 ZINC000096027802 256643225 /nfs/dbraw/zinc/64/32/25/256643225.db2.gz HGKYRGFXUDYROZ-ZIAGYGMSSA-N 1 0 245.366 3.522 50 0 BHAARO CCCC[NH2+]C(C)(C)Cc1ccc(C(C)=O)cc1 ZINC000096027985 371383902 /nfs/dbraw/zinc/38/39/02/371383902.db2.gz AGYNXEUNITYQFG-UHFFFAOYSA-N 1 0 247.382 3.600 50 0 BHAARO Cc1cc(C)cc([C@@H](C)[NH2+]CC(C)C)c1 ZINC000096033242 384423917 /nfs/dbraw/zinc/42/39/17/384423917.db2.gz RIFWGMPHFGOZOW-CYBMUJFWSA-N 1 0 205.345 3.610 50 0 BHAARO Cc1cc(C)cc([C@H](C)[NH2+]CC(C)C)c1 ZINC000096033243 177916871 /nfs/dbraw/zinc/91/68/71/177916871.db2.gz RIFWGMPHFGOZOW-ZDUSSCGKSA-N 1 0 205.345 3.610 50 0 BHAARO CCCC[NH2+][C@@H](C)c1cc(C)cc(C)c1 ZINC000096033244 168874458 /nfs/dbraw/zinc/87/44/58/168874458.db2.gz MTNKKJBXYXBCDG-ZDUSSCGKSA-N 1 0 205.345 3.754 50 0 BHAARO CCCC[NH2+][C@H](C)c1cc(C)cc(C)c1 ZINC000096033245 384424136 /nfs/dbraw/zinc/42/41/36/384424136.db2.gz MTNKKJBXYXBCDG-CYBMUJFWSA-N 1 0 205.345 3.754 50 0 BHAARO CCCC[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000096033248 384424174 /nfs/dbraw/zinc/42/41/74/384424174.db2.gz KJDUPKQJSCNMCK-CYBMUJFWSA-N 1 0 223.747 3.717 50 0 BHAARO CCCC[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000096033249 168877910 /nfs/dbraw/zinc/87/79/10/168877910.db2.gz KJDUPKQJSCNMCK-ZDUSSCGKSA-N 1 0 223.747 3.717 50 0 BHAARO CC[C@H]([NH2+]CC(C)C)c1ccccc1F ZINC000096034215 384427705 /nfs/dbraw/zinc/42/77/05/384427705.db2.gz KBUBRSVBPUNHDU-ZDUSSCGKSA-N 1 0 209.308 3.522 50 0 BHAARO CC[C@@H]([NH2+]CC(C)C)c1ccccc1F ZINC000096034216 170891919 /nfs/dbraw/zinc/89/19/19/170891919.db2.gz KBUBRSVBPUNHDU-CYBMUJFWSA-N 1 0 209.308 3.522 50 0 BHAARO CCCC[NH2+][C@@H](CC)c1ccccc1F ZINC000096034217 384427334 /nfs/dbraw/zinc/42/73/34/384427334.db2.gz UWQDFLDPVBYCCV-ZDUSSCGKSA-N 1 0 209.308 3.667 50 0 BHAARO CCCC[NH2+][C@H](CC)c1ccccc1F ZINC000096034218 384427398 /nfs/dbraw/zinc/42/73/98/384427398.db2.gz UWQDFLDPVBYCCV-CYBMUJFWSA-N 1 0 209.308 3.667 50 0 BHAARO CC[C@@H](C)[NH2+][C@@H](CC)c1ccccc1F ZINC000096034223 384427056 /nfs/dbraw/zinc/42/70/56/384427056.db2.gz FBJWWTNVOJNROH-MFKMUULPSA-N 1 0 209.308 3.665 50 0 BHAARO CC[C@H](C)[NH2+][C@@H](CC)c1ccccc1F ZINC000096034224 171346603 /nfs/dbraw/zinc/34/66/03/171346603.db2.gz FBJWWTNVOJNROH-GWCFXTLKSA-N 1 0 209.308 3.665 50 0 BHAARO CC[C@@H](C)[NH2+][C@H](CC)c1ccccc1F ZINC000096034225 384426824 /nfs/dbraw/zinc/42/68/24/384426824.db2.gz FBJWWTNVOJNROH-ZWNOBZJWSA-N 1 0 209.308 3.665 50 0 BHAARO CC[C@@H]([NH2+][C@@H](C)CC)c1ccccc1F ZINC000096034226 171347731 /nfs/dbraw/zinc/34/77/31/171347731.db2.gz FBJWWTNVOJNROH-GXFFZTMASA-N 1 0 209.308 3.665 50 0 BHAARO CSCCCC[NH2+][C@@H](C)c1cccs1 ZINC000096477968 388820528 /nfs/dbraw/zinc/82/05/28/388820528.db2.gz PVVOWIWPSWJTRS-JTQLQIEISA-N 1 0 229.414 3.542 50 0 BHAARO CSCCCC[NH2+][C@H](C)c1cccs1 ZINC000096477970 388820794 /nfs/dbraw/zinc/82/07/94/388820794.db2.gz PVVOWIWPSWJTRS-SNVBAGLBSA-N 1 0 229.414 3.542 50 0 BHAARO c1ccc(C(c2ccccc2)=C2CCC[NH2+]C2)cc1 ZINC000096663723 183388150 /nfs/dbraw/zinc/38/81/50/183388150.db2.gz AQIAYSRKYSWLNT-UHFFFAOYSA-N 1 0 249.357 3.872 50 0 BHAARO CC1(C[NH2+]Cc2ccco2)CCCCCC1 ZINC000097035198 168043729 /nfs/dbraw/zinc/04/37/29/168043729.db2.gz SYMANBJXKZJOOH-UHFFFAOYSA-N 1 0 221.344 3.730 50 0 BHAARO Cc1ccc2[nH+]ccc(NCc3ccncc3)c2c1 ZINC000097102973 384356679 /nfs/dbraw/zinc/35/66/79/384356679.db2.gz UTBGSKWFWGXKCU-UHFFFAOYSA-N 1 0 249.317 3.550 50 0 BHAARO C[N@H+](C/C=C\c1ccccc1)C(C1CC1)C1CC1 ZINC000097288649 388835055 /nfs/dbraw/zinc/83/50/55/388835055.db2.gz TYIPOOCDLIFLEV-YVMONPNESA-N 1 0 241.378 3.820 50 0 BHAARO Fc1ccc([C@@H]2CC[N@H+](CC3CCCC3)C2)cc1 ZINC000097425545 384517612 /nfs/dbraw/zinc/51/76/12/384517612.db2.gz JJUDALMSKMJRTE-OAHLLOKOSA-N 1 0 247.357 3.805 50 0 BHAARO Fc1ccc([C@H]2CC[N@H+](CC3CCCC3)C2)cc1 ZINC000097425546 384518250 /nfs/dbraw/zinc/51/82/50/384518250.db2.gz JJUDALMSKMJRTE-HNNXBMFYSA-N 1 0 247.357 3.805 50 0 BHAARO [NH2+]=C1CCCN1c1ccc(Cl)c(Cl)c1 ZINC000100799453 181206847 /nfs/dbraw/zinc/20/68/47/181206847.db2.gz POBBIHXJMYYERW-UHFFFAOYSA-N 1 0 229.110 3.571 50 0 BHAARO CCc1ccc(N2Cc3ccccc3C2=[NH2+])cc1 ZINC000100931642 384054522 /nfs/dbraw/zinc/05/45/22/384054522.db2.gz GDALSFKYRCUVFN-UHFFFAOYSA-N 1 0 236.318 3.595 50 0 BHAARO CC1=C[C@H](C)[C@@H](C[NH2+]Cc2ccco2)[C@H](C)C1 ZINC000101567784 168130785 /nfs/dbraw/zinc/13/07/85/168130785.db2.gz YHIFVIYJGMJLIA-GZBFAFLISA-N 1 0 233.355 3.608 50 0 BHAARO CN1C=CC=C/C1=C/C=C1/C=Nc2ccccc21 ZINC000102795809 491052301 /nfs/dbraw/zinc/05/23/01/491052301.db2.gz DHWBPQRIUWVLJR-FOIMCPNXSA-N 1 0 234.302 3.685 50 0 BHAARO CN1C=CC=C/C1=C/C=C1\C=Nc2ccccc21 ZINC000102795812 491052294 /nfs/dbraw/zinc/05/22/94/491052294.db2.gz DHWBPQRIUWVLJR-ITAGJCAXSA-N 1 0 234.302 3.685 50 0 BHAARO Cc1ccc([C@@H](C)CC[N@@H+]2CCCC[C@H]2C)o1 ZINC000104836222 386732818 /nfs/dbraw/zinc/73/28/18/386732818.db2.gz VETYRGYMDFMOAY-QWHCGFSZSA-N 1 0 235.371 3.956 50 0 BHAARO CS[C@@H]1CC[C@H]([NH2+][C@H](C)c2cccs2)C1 ZINC000110688444 369938404 /nfs/dbraw/zinc/93/84/04/369938404.db2.gz XZROYVVUEVTCOQ-OUAUKWLOSA-N 1 0 241.425 3.683 50 0 BHAARO CS[C@@H]1CC[C@@H]([NH2+][C@H](C)c2cccs2)C1 ZINC000110688448 369937898 /nfs/dbraw/zinc/93/78/98/369937898.db2.gz XZROYVVUEVTCOQ-GMTAPVOTSA-N 1 0 241.425 3.683 50 0 BHAARO CS[C@@H]1CC[C@H]([NH2+][C@H](C)c2ccc(C)o2)C1 ZINC000110688459 369937984 /nfs/dbraw/zinc/93/79/84/369937984.db2.gz QVTMFWVSLCTHDI-GRYCIOLGSA-N 1 0 239.384 3.523 50 0 BHAARO CS[C@@H]1CC[C@@H]([NH2+][C@H](C)c2ccc(C)o2)C1 ZINC000110688463 369937133 /nfs/dbraw/zinc/93/71/33/369937133.db2.gz QVTMFWVSLCTHDI-IJLUTSLNSA-N 1 0 239.384 3.523 50 0 BHAARO CC[C@@H](C)[NH2+][C@H](c1nccs1)c1ccccc1 ZINC000123256009 388640132 /nfs/dbraw/zinc/64/01/32/388640132.db2.gz IDMAVXXRWCOFBM-YPMHNXCESA-N 1 0 246.379 3.621 50 0 BHAARO CC[C@H](C)[NH2+][C@H](c1nccs1)c1ccccc1 ZINC000123256139 171345846 /nfs/dbraw/zinc/34/58/46/171345846.db2.gz IDMAVXXRWCOFBM-AAEUAGOBSA-N 1 0 246.379 3.621 50 0 BHAARO CC[C@@H](C)[NH2+][C@@H](c1nccs1)c1ccccc1 ZINC000123256319 388640358 /nfs/dbraw/zinc/64/03/58/388640358.db2.gz IDMAVXXRWCOFBM-DGCLKSJQSA-N 1 0 246.379 3.621 50 0 BHAARO CC[C@H](C)[NH2+][C@@H](c1nccs1)c1ccccc1 ZINC000123256431 171348852 /nfs/dbraw/zinc/34/88/52/171348852.db2.gz IDMAVXXRWCOFBM-WCQYABFASA-N 1 0 246.379 3.621 50 0 BHAARO CC(C)=CC[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000124219648 187808487 /nfs/dbraw/zinc/80/84/87/187808487.db2.gz PVOIFZGYKRDEJD-WDEREUQCSA-N 1 0 235.293 3.663 50 0 BHAARO CC(C)=CC[NH2+][C@H]1CCCC[C@@H]1C(F)(F)F ZINC000124219872 187295453 /nfs/dbraw/zinc/29/54/53/187295453.db2.gz PVOIFZGYKRDEJD-QWRGUYRKSA-N 1 0 235.293 3.663 50 0 BHAARO CC(C)=CC[NH2+][C@@H]1CCCC[C@H]1C(F)(F)F ZINC000124220103 384620955 /nfs/dbraw/zinc/62/09/55/384620955.db2.gz PVOIFZGYKRDEJD-GHMZBOCLSA-N 1 0 235.293 3.663 50 0 BHAARO CC(C)=CC[NH2+][C@H]1CCCC[C@H]1C(F)(F)F ZINC000124220298 188154698 /nfs/dbraw/zinc/15/46/98/188154698.db2.gz PVOIFZGYKRDEJD-MNOVXSKESA-N 1 0 235.293 3.663 50 0 BHAARO CCCC[NH2+]Cc1ccc(Cl)c(C)c1 ZINC000125465606 324642114 /nfs/dbraw/zinc/64/21/14/324642114.db2.gz VEJHYJHXURXANZ-UHFFFAOYSA-N 1 0 211.736 3.538 50 0 BHAARO Cc1cc(C[NH2+]C2CCCC2)ccc1Cl ZINC000125465855 324638079 /nfs/dbraw/zinc/63/80/79/324638079.db2.gz AWSFOOXYOBSSRV-UHFFFAOYSA-N 1 0 223.747 3.681 50 0 BHAARO CC[C@@H](C)[NH2+]Cc1ccc(Cl)c(C)c1 ZINC000125466882 388672346 /nfs/dbraw/zinc/67/23/46/388672346.db2.gz OAIALCASOUFOIO-SNVBAGLBSA-N 1 0 211.736 3.537 50 0 BHAARO CC[C@H](C)[NH2+]Cc1ccc(Cl)c(C)c1 ZINC000125467051 388671793 /nfs/dbraw/zinc/67/17/93/388671793.db2.gz OAIALCASOUFOIO-JTQLQIEISA-N 1 0 211.736 3.537 50 0 BHAARO Cc1cc(C[NH2+]C(C)(C)C)ccc1Cl ZINC000125468116 582580203 /nfs/dbraw/zinc/58/02/03/582580203.db2.gz NUZUQXBPBMDOBZ-UHFFFAOYSA-N 1 0 211.736 3.537 50 0 BHAARO FC(F)(F)C1CC[NH+](Cc2ccsc2)CC1 ZINC000127200950 384870574 /nfs/dbraw/zinc/87/05/74/384870574.db2.gz IMPTYTWFCRCDNW-UHFFFAOYSA-N 1 0 249.301 3.522 50 0 BHAARO C(C[NH2+]C1CCCCCC1)COC1CCCC1 ZINC000127311598 343722490 /nfs/dbraw/zinc/72/24/90/343722490.db2.gz FGZSBWDXHGDESJ-UHFFFAOYSA-N 1 0 239.403 3.648 50 0 BHAARO CCC(CC)C[C@H]([NH3+])c1ccccc1C ZINC000128044878 168367297 /nfs/dbraw/zinc/36/72/97/168367297.db2.gz RSVYKSBLTPUULY-AWEZNQCLSA-N 1 0 205.345 3.821 50 0 BHAARO CCC(CC)C[C@@H]([NH3+])c1ccccc1C ZINC000128045078 168367262 /nfs/dbraw/zinc/36/72/62/168367262.db2.gz RSVYKSBLTPUULY-CQSZACIVSA-N 1 0 205.345 3.821 50 0 BHAARO Cc1cccc2c(NCc3ccncc3)cc[nH+]c12 ZINC000130593137 363429389 /nfs/dbraw/zinc/42/93/89/363429389.db2.gz HKBKKQBPTHGBIV-UHFFFAOYSA-N 1 0 249.317 3.550 50 0 BHAARO CC(C)([NH3+])COc1ccc2ccccc2c1Cl ZINC000143354822 374171856 /nfs/dbraw/zinc/17/18/56/374171856.db2.gz DQWVFDGWHHHOJY-UHFFFAOYSA-N 1 0 249.741 3.609 50 0 BHAARO C[C@@H]1CCC[C@@H]([NH2+][C@H]2CCC[C@@H](C)C2)C1 ZINC000144781499 176145249 /nfs/dbraw/zinc/14/52/49/176145249.db2.gz FBBSSGDEXCODGU-SYQHCUMBSA-N 1 0 209.377 3.733 50 0 BHAARO CC[C@H]([NH2+]C)c1cc(Cl)cc(Cl)c1 ZINC000168856293 357267241 /nfs/dbraw/zinc/26/72/41/357267241.db2.gz OQQUGBIOHFRBTF-JTQLQIEISA-N 1 0 218.127 3.664 50 0 BHAARO CC[C@@H]([NH2+]C)c1cc(Cl)cc(Cl)c1 ZINC000168856387 357261175 /nfs/dbraw/zinc/26/11/75/357261175.db2.gz OQQUGBIOHFRBTF-SNVBAGLBSA-N 1 0 218.127 3.664 50 0 BHAARO Cc1ccccc1[C@H]([NH3+])[C@@H]1CCC[C@@H](C)C1 ZINC000169616660 179344078 /nfs/dbraw/zinc/34/40/78/179344078.db2.gz FOGSJWPUWBXGDC-UXIGCNINSA-N 1 0 217.356 3.821 50 0 BHAARO Cc1ccccc1[C@H]([NH3+])[C@H]1CCC[C@@H](C)C1 ZINC000169616661 179343165 /nfs/dbraw/zinc/34/31/65/179343165.db2.gz FOGSJWPUWBXGDC-OSAQELSMSA-N 1 0 217.356 3.821 50 0 BHAARO CC(C)[Si](C(C)C)(C(C)C)[NH+](C)C ZINC000170155223 385424125 /nfs/dbraw/zinc/42/41/25/385424125.db2.gz RDGLSXXPVKFUJI-UHFFFAOYSA-N 1 0 201.430 3.724 50 0 BHAARO CC[C@H]1Cc2ccccc2C[N@@H+]1Cc1ccco1 ZINC000170597321 388240110 /nfs/dbraw/zinc/24/01/10/388240110.db2.gz ZKGXVDCMFDTYNI-HNNXBMFYSA-N 1 0 241.334 3.617 50 0 BHAARO CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1ccc(F)cc1F ZINC000170599706 171161062 /nfs/dbraw/zinc/16/10/62/171161062.db2.gz HRPXUIMTWUNKED-QMTHXVAHSA-N 1 0 239.309 3.585 50 0 BHAARO CC[C@H]1[C@H](C)CC[N@@H+]1Cc1ccc(F)cc1F ZINC000170599707 388240802 /nfs/dbraw/zinc/24/08/02/388240802.db2.gz HRPXUIMTWUNKED-YGRLFVJLSA-N 1 0 239.309 3.585 50 0 BHAARO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1ccc(F)cc1F ZINC000170599708 171156327 /nfs/dbraw/zinc/15/63/27/171156327.db2.gz HRPXUIMTWUNKED-IINYFYTJSA-N 1 0 239.309 3.585 50 0 BHAARO CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1ccc(F)cc1F ZINC000170599709 388240550 /nfs/dbraw/zinc/24/05/50/388240550.db2.gz HRPXUIMTWUNKED-HZMBPMFUSA-N 1 0 239.309 3.585 50 0 BHAARO CC[C@@H]1CCCC[N@@H+]1Cc1cccc(N(C)C)c1 ZINC000170639500 363122856 /nfs/dbraw/zinc/12/28/56/363122856.db2.gz MEWFHGNAMDRILI-OAHLLOKOSA-N 1 0 246.398 3.517 50 0 BHAARO CC[C@H]1CCCC[N@@H+]1Cc1cccc(N(C)C)c1 ZINC000170639502 363122832 /nfs/dbraw/zinc/12/28/32/363122832.db2.gz MEWFHGNAMDRILI-HNNXBMFYSA-N 1 0 246.398 3.517 50 0 BHAARO CC[C@@H](C)C[NH+](Cc1ccco1)Cc1ccco1 ZINC000170659230 388691001 /nfs/dbraw/zinc/69/10/01/388691001.db2.gz HIFMGSBZAVQTMI-CYBMUJFWSA-N 1 0 247.338 3.921 50 0 BHAARO CC[C@H](C)C[NH+](Cc1ccco1)Cc1ccco1 ZINC000170659231 388691126 /nfs/dbraw/zinc/69/11/26/388691126.db2.gz HIFMGSBZAVQTMI-ZDUSSCGKSA-N 1 0 247.338 3.921 50 0 BHAARO C[C@H]([NH2+]CCCOC1CCCCC1)C1CCC1 ZINC000178426036 388499693 /nfs/dbraw/zinc/49/96/93/388499693.db2.gz QXFNKXSYAXXXBI-ZDUSSCGKSA-N 1 0 239.403 3.504 50 0 BHAARO C[C@@H]([NH2+]CCCOC1CCCCC1)C1CCC1 ZINC000178426044 533384965 /nfs/dbraw/zinc/38/49/65/533384965.db2.gz QXFNKXSYAXXXBI-CYBMUJFWSA-N 1 0 239.403 3.504 50 0 BHAARO FC(F)(F)C1CC[NH+](Cc2cccs2)CC1 ZINC000179965680 385502683 /nfs/dbraw/zinc/50/26/83/385502683.db2.gz LBEHYLAVUFLJRB-UHFFFAOYSA-N 1 0 249.301 3.522 50 0 BHAARO c1ccc(C[NH2+]C2(Cc3ccccc3)CC2)cc1 ZINC000187492220 384819491 /nfs/dbraw/zinc/81/94/91/384819491.db2.gz FTZIUOIEITXMMB-UHFFFAOYSA-N 1 0 237.346 3.552 50 0 BHAARO CS[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2cccs2)C1 ZINC000195541098 175551446 /nfs/dbraw/zinc/55/14/46/175551446.db2.gz XZROYVVUEVTCOQ-HBNTYKKESA-N 1 0 241.425 3.683 50 0 BHAARO CS[C@@H]1CC[C@H]([NH2+][C@@H](C)c2cccs2)C1 ZINC000195541100 388479189 /nfs/dbraw/zinc/47/91/89/388479189.db2.gz XZROYVVUEVTCOQ-GARJFASQSA-N 1 0 241.425 3.683 50 0 BHAARO CS[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2ccc(C)o2)C1 ZINC000195541116 388479102 /nfs/dbraw/zinc/47/91/02/388479102.db2.gz QVTMFWVSLCTHDI-QJPTWQEYSA-N 1 0 239.384 3.523 50 0 BHAARO CS[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ccc(C)o2)C1 ZINC000195541118 388479238 /nfs/dbraw/zinc/47/92/38/388479238.db2.gz QVTMFWVSLCTHDI-SDDRHHMPSA-N 1 0 239.384 3.523 50 0 BHAARO Cc1cc2ccccc2c(NCc2ccncc2)[nH+]1 ZINC000195571568 347648100 /nfs/dbraw/zinc/64/81/00/347648100.db2.gz CQGBVYJSWQQJRR-UHFFFAOYSA-N 1 0 249.317 3.550 50 0 BHAARO CCC[Si](C)(C)[NH2+][Si](C)(C)CCC ZINC000195754988 169559912 /nfs/dbraw/zinc/55/99/12/169559912.db2.gz XNVKQSYMDNUWNH-UHFFFAOYSA-N 1 0 217.505 3.806 50 0 BHAARO C[C@@H](c1ccccc1C[NH+](C)C)[Si](C)(C)C ZINC000196172047 176024083 /nfs/dbraw/zinc/02/40/83/176024083.db2.gz SWGVTJLYGXNOEK-LBPRGKRZSA-N 1 0 235.447 3.729 50 0 BHAARO C[C@H](c1ccccc1C[NH+](C)C)[Si](C)(C)C ZINC000196172053 177041672 /nfs/dbraw/zinc/04/16/72/177041672.db2.gz SWGVTJLYGXNOEK-GFCCVEGCSA-N 1 0 235.447 3.729 50 0 BHAARO Fc1ccc(CC2CC[NH+](C3CCC3)CC2)cc1 ZINC000200527007 345728489 /nfs/dbraw/zinc/72/84/89/345728489.db2.gz OUVYIVBIYIKGJH-UHFFFAOYSA-N 1 0 247.357 3.633 50 0 BHAARO Cc1ccc(N[N+](=O)c2ccc(C)cc2)cc1 ZINC000201367434 386230811 /nfs/dbraw/zinc/23/08/11/386230811.db2.gz JHJFDKKZXXDCIA-UHFFFAOYSA-N 1 0 227.287 3.741 50 0 BHAARO c1ccc2c(c1)CC[C@H]2[N@@H+]1CCc2ccccc2C1 ZINC000225417768 386193908 /nfs/dbraw/zinc/19/39/08/386193908.db2.gz DTWORJYPULNCJR-GOSISDBHSA-N 1 0 249.357 3.732 50 0 BHAARO c1ccc2c(c1)CC[C@@H]2[N@@H+]1CCc2ccccc2C1 ZINC000225417810 386192950 /nfs/dbraw/zinc/19/29/50/386192950.db2.gz DTWORJYPULNCJR-SFHVURJKSA-N 1 0 249.357 3.732 50 0 BHAARO CC1=C[C@H](C)[C@@H](C[NH2+]Cc2ccco2)[C@@H](C)C1 ZINC000226152347 168131377 /nfs/dbraw/zinc/13/13/77/168131377.db2.gz YHIFVIYJGMJLIA-KCQAQPDRSA-N 1 0 233.355 3.608 50 0 BHAARO CC(C)[NH2+][C@@H](C)Cc1cccc2ccccc21 ZINC000226795466 167132488 /nfs/dbraw/zinc/13/24/88/167132488.db2.gz LNDVMYPXXCMKQW-ZDUSSCGKSA-N 1 0 227.351 3.769 50 0 BHAARO CC(C)[NH2+][C@H](C)Cc1cccc2ccccc21 ZINC000226795470 167138881 /nfs/dbraw/zinc/13/88/81/167138881.db2.gz LNDVMYPXXCMKQW-CYBMUJFWSA-N 1 0 227.351 3.769 50 0 BHAARO CC1=C[C@H](C)[C@@H](C[NH+]2CCCCC2)[C@@H](C)C1 ZINC000226859154 168130947 /nfs/dbraw/zinc/13/09/47/168130947.db2.gz WMARFJKDMDFXLH-SOUVJXGZSA-N 1 0 221.388 3.711 50 0 BHAARO C[NH2+][C@@H]1Cc2ccccc2[C@@H](C)c2ccccc21 ZINC000227144281 386463256 /nfs/dbraw/zinc/46/32/56/386463256.db2.gz XSUJSJNKRIGZDB-SJKOYZFVSA-N 1 0 237.346 3.655 50 0 BHAARO C[NH2+][C@H]1Cc2ccccc2[C@@H](C)c2ccccc21 ZINC000227144284 386464423 /nfs/dbraw/zinc/46/44/23/386464423.db2.gz XSUJSJNKRIGZDB-PXAZEXFGSA-N 1 0 237.346 3.655 50 0 BHAARO C[NH2+][C@@H]1Cc2ccccc2[C@H](C)c2ccccc21 ZINC000227144291 173439240 /nfs/dbraw/zinc/43/92/40/173439240.db2.gz XSUJSJNKRIGZDB-YVEFUNNKSA-N 1 0 237.346 3.655 50 0 BHAARO C[NH2+][C@H]1Cc2ccccc2[C@H](C)c2ccccc21 ZINC000227144297 386464397 /nfs/dbraw/zinc/46/43/97/386464397.db2.gz XSUJSJNKRIGZDB-SJCJKPOMSA-N 1 0 237.346 3.655 50 0 BHAARO C[C@@H](C[NH2+]Cc1ccccc1)C1CCCCC1 ZINC000230577325 371934497 /nfs/dbraw/zinc/93/44/97/371934497.db2.gz CTRCDXITNNVTOI-AWEZNQCLSA-N 1 0 231.383 3.993 50 0 BHAARO C[C@H](C[NH2+]Cc1ccccc1)C1CCCCC1 ZINC000230577365 352126981 /nfs/dbraw/zinc/12/69/81/352126981.db2.gz CTRCDXITNNVTOI-CQSZACIVSA-N 1 0 231.383 3.993 50 0 BHAARO C[C@@H](C[NH2+]Cc1ccccc1)C1CCCC1 ZINC000231504959 342787237 /nfs/dbraw/zinc/78/72/37/342787237.db2.gz DGAOVUOWYJSVJD-ZDUSSCGKSA-N 1 0 217.356 3.603 50 0 BHAARO C[C@H](C[NH2+]Cc1ccccc1)C1CCCC1 ZINC000231504986 350627867 /nfs/dbraw/zinc/62/78/67/350627867.db2.gz DGAOVUOWYJSVJD-CYBMUJFWSA-N 1 0 217.356 3.603 50 0 BHAARO C[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@H](C)C2)C1 ZINC000238509059 636722007 /nfs/dbraw/zinc/72/20/07/636722007.db2.gz FBBSSGDEXCODGU-CRWXNKLISA-N 1 0 209.377 3.733 50 0 BHAARO C[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@@H](C)C2)C1 ZINC000238851102 524410754 /nfs/dbraw/zinc/41/07/54/524410754.db2.gz FBBSSGDEXCODGU-MQYQWHSLSA-N 1 0 209.377 3.733 50 0 BHAARO C[C@@H]1CCC[C@H]([NH2+]Cc2cccs2)[C@H]1C ZINC000238854623 386537164 /nfs/dbraw/zinc/53/71/64/386537164.db2.gz OOCOMBWGZIHIQR-MDZLAQPJSA-N 1 0 223.385 3.662 50 0 BHAARO C[C@@H]1CCC[C@@H]([NH2+]Cc2cccs2)[C@H]1C ZINC000238854624 177425283 /nfs/dbraw/zinc/42/52/83/177425283.db2.gz OOCOMBWGZIHIQR-NTZNESFSSA-N 1 0 223.385 3.662 50 0 BHAARO CCCC[N@@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000241121900 398160027 /nfs/dbraw/zinc/16/00/27/398160027.db2.gz JEQCWNDZTTVXDN-GFCCVEGCSA-N 1 0 223.385 3.931 50 0 BHAARO CCCC[N@@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000241121901 398160015 /nfs/dbraw/zinc/16/00/15/398160015.db2.gz JEQCWNDZTTVXDN-LBPRGKRZSA-N 1 0 223.385 3.931 50 0 BHAARO CC[N@H+](CCCc1cccnc1)C1CCCCC1 ZINC000244735143 521042905 /nfs/dbraw/zinc/04/29/05/521042905.db2.gz NTLJMPNWDZGJIL-UHFFFAOYSA-N 1 0 246.398 3.669 50 0 BHAARO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1C1CCCC1 ZINC000245680414 525355562 /nfs/dbraw/zinc/35/55/62/525355562.db2.gz JXLQZRKEOUWIFO-MBNYWOFBSA-N 1 0 207.361 3.582 50 0 BHAARO C[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1C1CCCC1 ZINC000245680422 525513417 /nfs/dbraw/zinc/51/34/17/525513417.db2.gz JXLQZRKEOUWIFO-YRGRVCCFSA-N 1 0 207.361 3.582 50 0 BHAARO CCC[C@H](C)C[NH2+][C@H]1CCO[C@H]1c1ccccc1 ZINC000252477654 363343294 /nfs/dbraw/zinc/34/32/94/363343294.db2.gz SEFQNTHFGAPZIL-BPUTZDHNSA-N 1 0 247.382 3.542 50 0 BHAARO CCC[C@H](C)C[NH2+][C@@H]1CCO[C@H]1c1ccccc1 ZINC000252477655 363343472 /nfs/dbraw/zinc/34/34/72/363343472.db2.gz SEFQNTHFGAPZIL-IMJJTQAJSA-N 1 0 247.382 3.542 50 0 BHAARO C[C@@H]([N@H+](C)CCSC(C)(C)C)C1(C)CC1 ZINC000252507924 363453663 /nfs/dbraw/zinc/45/36/63/363453663.db2.gz WXHCPCQQRJGQJT-LLVKDONJSA-N 1 0 229.433 3.639 50 0 BHAARO C[C@H]([N@H+](C)CCSC(C)(C)C)C1(C)CC1 ZINC000252507925 345536226 /nfs/dbraw/zinc/53/62/26/345536226.db2.gz WXHCPCQQRJGQJT-NSHDSACASA-N 1 0 229.433 3.639 50 0 BHAARO Cn1ccccc1=[NH+]c1ccc(C(C)(C)C)cc1 ZINC000254807969 388368819 /nfs/dbraw/zinc/36/88/19/388368819.db2.gz JTYRMAYWEFLYLB-UHFFFAOYSA-N 1 0 240.350 3.555 50 0 BHAARO C[N@@H+]1CCC[C@@H]2CCC[C@H](c3ccccc3)[C@@H]21 ZINC000257356670 173037428 /nfs/dbraw/zinc/03/74/28/173037428.db2.gz JOUQNHPNPHYSCX-ARFHVFGLSA-N 1 0 229.367 3.665 50 0 BHAARO C[N@@H+]1CCC[C@@H]2CCC[C@@H](c3ccccc3)[C@H]21 ZINC000257356671 173036362 /nfs/dbraw/zinc/03/63/62/173036362.db2.gz JOUQNHPNPHYSCX-JYJNAYRXSA-N 1 0 229.367 3.665 50 0 BHAARO C[N@@H+]1CCC[C@@H]2CCC[C@H](c3ccccc3)[C@H]21 ZINC000257356672 173035381 /nfs/dbraw/zinc/03/53/81/173035381.db2.gz JOUQNHPNPHYSCX-XHSDSOJGSA-N 1 0 229.367 3.665 50 0 BHAARO C[C@@H]1CCC[C@@]1(c1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000261361574 371059925 /nfs/dbraw/zinc/05/99/25/371059925.db2.gz ZXEQNXYHWFKBDF-DJIMGWMZSA-N 1 0 243.394 3.887 50 0 BHAARO C[C@@H]1CCC[C@]1(c1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000261361577 398207265 /nfs/dbraw/zinc/20/72/65/398207265.db2.gz ZXEQNXYHWFKBDF-OIISXLGYSA-N 1 0 243.394 3.887 50 0 BHAARO Cc1ccc([C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1Cl ZINC000299803945 178923463 /nfs/dbraw/zinc/92/34/63/178923463.db2.gz MMOFCWJLARITDZ-XYYAHUGASA-N 1 0 235.758 3.646 50 0 BHAARO c1ccc(C[NH2+]C[C@H]2CC3CCC2CC3)cc1 ZINC000306797487 256861986 /nfs/dbraw/zinc/86/19/86/256861986.db2.gz YIBNFBLYOCPILJ-AVVWSFFYSA-N 1 0 229.367 3.603 50 0 BHAARO c1ccc(C[NH2+]C[C@@H]2CC3CCC2CC3)cc1 ZINC000306797490 256862237 /nfs/dbraw/zinc/86/22/37/256862237.db2.gz YIBNFBLYOCPILJ-BCLQGDPASA-N 1 0 229.367 3.603 50 0 BHAARO CC(C)(C[NH2+]Cc1ccccc1)C1=CCCC1 ZINC000307495348 491116554 /nfs/dbraw/zinc/11/65/54/491116554.db2.gz BUZLFLRPNHUTRN-UHFFFAOYSA-N 1 0 229.367 3.913 50 0 BHAARO Cc1cc(C[N@@H+]2CCC3(C2)CCCCCC3)on1 ZINC000368398898 177986841 /nfs/dbraw/zinc/98/68/41/177986841.db2.gz VQFLFELUVFHUDV-UHFFFAOYSA-N 1 0 248.370 3.529 50 0 BHAARO C1=C(CC[NH2+]Cc2ccccc2)c2ccccc2C1 ZINC000408513045 134808820 /nfs/dbraw/zinc/80/88/20/134808820.db2.gz NCUQBYYZTPEWDK-UHFFFAOYSA-N 1 0 249.357 3.806 50 0 BHAARO Cc1cccc(N[N+](=O)c2cccc(C)c2)c1 ZINC000409415859 384768741 /nfs/dbraw/zinc/76/87/41/384768741.db2.gz XICZWOKYPFMTAM-UHFFFAOYSA-N 1 0 227.287 3.741 50 0 BHAARO C[C@@H]([NH2+]Cc1ccccc1)[C@H]1Cc2ccccc21 ZINC000521398200 256839298 /nfs/dbraw/zinc/83/92/98/256839298.db2.gz VUCRVZZVDKTZPR-CXAGYDPISA-N 1 0 237.346 3.505 50 0 BHAARO C[C@@H]([NH2+]Cc1ccccc1)[C@@H]1Cc2ccccc21 ZINC000521398201 387923189 /nfs/dbraw/zinc/92/31/89/387923189.db2.gz VUCRVZZVDKTZPR-DYVFJYSZSA-N 1 0 237.346 3.505 50 0 BHAARO C[C@H]([NH2+]Cc1ccccc1)[C@@H]1Cc2ccccc21 ZINC000521398202 387921883 /nfs/dbraw/zinc/92/18/83/387921883.db2.gz VUCRVZZVDKTZPR-GUYCJALGSA-N 1 0 237.346 3.505 50 0 BHAARO C[C@H]([NH2+]Cc1ccccc1)[C@H]1Cc2ccccc21 ZINC000521398203 387922854 /nfs/dbraw/zinc/92/28/54/387922854.db2.gz VUCRVZZVDKTZPR-SUMWQHHRSA-N 1 0 237.346 3.505 50 0 BHAARO c1ccc(C[NH2+]CC[C@H]2C=CCCC2)cc1 ZINC000536954809 387168385 /nfs/dbraw/zinc/16/83/85/387168385.db2.gz UTZUMVTWACRPMS-AWEZNQCLSA-N 1 0 215.340 3.523 50 0 BHAARO c1ccc(C[NH2+]CC[C@@H]2C=CCCC2)cc1 ZINC000536954816 387168538 /nfs/dbraw/zinc/16/85/38/387168538.db2.gz UTZUMVTWACRPMS-CQSZACIVSA-N 1 0 215.340 3.523 50 0 BHAARO Cc1ccc([C@@H](C)CC[N@@H+]2CCC[C@@H](C)C2)o1 ZINC000584904362 342791499 /nfs/dbraw/zinc/79/14/99/342791499.db2.gz DMNJADKCJPTELM-OLZOCXBDSA-N 1 0 235.371 3.814 50 0 BHAARO c1ccc([C@@H]2CC3(C[NH2+]2)CCCCC3)cc1 ZINC000585146570 344205880 /nfs/dbraw/zinc/20/58/80/344205880.db2.gz BOYDRCRLMJPFKK-AWEZNQCLSA-N 1 0 215.340 3.672 50 0 BHAARO c1ccc([C@H]2CC3(C[NH2+]2)CCCCC3)cc1 ZINC000585146571 344205699 /nfs/dbraw/zinc/20/56/99/344205699.db2.gz BOYDRCRLMJPFKK-CQSZACIVSA-N 1 0 215.340 3.672 50 0 BHAARO c1ccc(C[NH2+][C@@H]2CC[C@@H]2c2ccccc2)cc1 ZINC000657713424 411586752 /nfs/dbraw/zinc/58/67/52/411586752.db2.gz RDQIJTUJJKZYSB-IAGOWNOFSA-N 1 0 237.346 3.722 50 0 BHAARO C[C@@H]1CCCC[C@@H]1CC[NH2+]Cc1ccccc1 ZINC000720412489 712840970 /nfs/dbraw/zinc/84/09/70/712840970.db2.gz ABVHCAJEERDSAJ-GDBMZVCRSA-N 1 0 231.383 3.993 50 0 BHAARO C[C@H]1CCCC[C@@H]1CC[NH2+]Cc1ccccc1 ZINC000720412491 712840785 /nfs/dbraw/zinc/84/07/85/712840785.db2.gz ABVHCAJEERDSAJ-GOEBONIOSA-N 1 0 231.383 3.993 50 0 BHAARO C[C@H]1CCCC[C@H]1CC[NH2+]Cc1ccccc1 ZINC000720412492 712840942 /nfs/dbraw/zinc/84/09/42/712840942.db2.gz ABVHCAJEERDSAJ-HOCLYGCPSA-N 1 0 231.383 3.993 50 0 BHAARO C[C@@H]1CCCC[C@H]1CC[NH2+]Cc1ccccc1 ZINC000720412493 712840758 /nfs/dbraw/zinc/84/07/58/712840758.db2.gz ABVHCAJEERDSAJ-ZBFHGGJFSA-N 1 0 231.383 3.993 50 0 BHAARO CCC[NH2+]Cc1ccccc1SC(F)(F)F ZINC000725270557 538102439 /nfs/dbraw/zinc/10/24/39/538102439.db2.gz MFFYTAHTSTYHSX-UHFFFAOYSA-N 1 0 249.301 3.798 50 0 BHAARO C[C@@H]([NH3+])c1ccc(-c2ccnc(C(F)F)c2)cc1 ZINC000725273467 538105187 /nfs/dbraw/zinc/10/51/87/538105187.db2.gz FLIMYFKNAFQWGW-SECBINFHSA-N 1 0 248.276 3.706 50 0 BHAARO C[C@H]([NH3+])c1ccc(-c2ccnc(C(F)F)c2)cc1 ZINC000725273468 538105118 /nfs/dbraw/zinc/10/51/18/538105118.db2.gz FLIMYFKNAFQWGW-VIFPVBQESA-N 1 0 248.276 3.706 50 0 BHAARO c1ccc(C[NH2+][C@@H]2CC[C@H]2c2ccccc2)cc1 ZINC000888093265 635363324 /nfs/dbraw/zinc/36/33/24/635363324.db2.gz RDQIJTUJJKZYSB-DLBZAZTESA-N 1 0 237.346 3.722 50 0 BHAARO c1ccc(C[NH2+][C@H]2CC[C@H]2c2ccccc2)cc1 ZINC000888093266 635363851 /nfs/dbraw/zinc/36/38/51/635363851.db2.gz RDQIJTUJJKZYSB-IRXDYDNUSA-N 1 0 237.346 3.722 50 0 BHAARO c1ccc(C[NH2+][C@H]2CC[C@@H]2c2ccccc2)cc1 ZINC000888093267 635365091 /nfs/dbraw/zinc/36/50/91/635365091.db2.gz RDQIJTUJJKZYSB-SJORKVTESA-N 1 0 237.346 3.722 50 0 BHAARO CC(C)CC(C)(C)[NH2+]Cc1cnc(C(C)C)nc1 ZINC000952990399 644449549 /nfs/dbraw/zinc/44/95/49/644449549.db2.gz YCVDPBAUBKZMFZ-UHFFFAOYSA-N 1 0 249.402 3.514 50 0 BHAARO