smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH2+]C/C=C(\C)CC/C=C(\C)CCC=C(C)C ZINC000002029368 368740524 /nfs/dbraw/zinc/74/05/24/368740524.db2.gz ZPEMKPFPWVTBPX-NCZFFCEISA-N 1 0 235.415 4.625 10 0 BJAERO Cc1ccc(Nc2cc(C)[nH+]c3ccccc23)cc1 ZINC000005330818 346189272 /nfs/dbraw/zinc/18/92/72/346189272.db2.gz AERFJDGDZYOCKE-UHFFFAOYSA-N 1 0 248.329 4.595 10 0 BJAERO Cc1cc(Nc2ccccc2C)c2ccccc2[nH+]1 ZINC000005337897 178192918 /nfs/dbraw/zinc/19/29/18/178192918.db2.gz MRRAPQFAJQLHCW-UHFFFAOYSA-N 1 0 248.329 4.595 10 0 BJAERO C[NH2+]CC[C@@H](c1ccc(C(C)C)cc1)C(C)(C)C ZINC000011630206 173358290 /nfs/dbraw/zinc/35/82/90/173358290.db2.gz SRLCLOXVJQBBQM-INIZCTEOSA-N 1 0 247.426 4.549 10 0 BJAERO C[NH2+]CC[C@H](c1ccc(C(C)C)cc1)C(C)(C)C ZINC000011630207 173358998 /nfs/dbraw/zinc/35/89/98/173358998.db2.gz SRLCLOXVJQBBQM-MRXNPFEDSA-N 1 0 247.426 4.549 10 0 BJAERO CC(C)CC[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC000019230681 166865742 /nfs/dbraw/zinc/86/57/42/166865742.db2.gz CSECDBFBULPNTO-CQSZACIVSA-N 1 0 233.399 4.507 10 0 BJAERO CCCc1ccc([C@@H]([NH3+])CC2CCCCC2)cc1 ZINC000019231609 169573584 /nfs/dbraw/zinc/57/35/84/169573584.db2.gz NAHMNQZUEPFWON-KRWDZBQOSA-N 1 0 245.410 4.609 10 0 BJAERO CCCc1ccc([C@H]([NH3+])CC2CCCCC2)cc1 ZINC000019231610 169575168 /nfs/dbraw/zinc/57/51/68/169575168.db2.gz NAHMNQZUEPFWON-QGZVFWFLSA-N 1 0 245.410 4.609 10 0 BJAERO CCC[C@@H](C)[NH2+][C@@H](CC(C)C)c1ccccc1 ZINC000019232814 169370381 /nfs/dbraw/zinc/37/03/81/169370381.db2.gz GRGMIPGNHFEOCR-ZBFHGGJFSA-N 1 0 233.399 4.552 10 0 BJAERO CCC[C@@H](C)[NH2+][C@H](CC(C)C)c1ccccc1 ZINC000019232816 169371622 /nfs/dbraw/zinc/37/16/22/169371622.db2.gz GRGMIPGNHFEOCR-GDBMZVCRSA-N 1 0 233.399 4.552 10 0 BJAERO CCC[C@H](C)[NH2+][C@H](CC(C)C)c1ccccc1 ZINC000019232817 169494253 /nfs/dbraw/zinc/49/42/53/169494253.db2.gz GRGMIPGNHFEOCR-GOEBONIOSA-N 1 0 233.399 4.552 10 0 BJAERO CCC(CC)[NH2+]C1CCC(C(C)(C)CC)CC1 ZINC000019233264 168386895 /nfs/dbraw/zinc/38/68/95/168386895.db2.gz CKCOXOJAIPZGSQ-UHFFFAOYSA-N 1 0 239.447 4.760 10 0 BJAERO CCC[C@H]([NH2+][C@@H](C)CCC(C)C)c1ccccc1 ZINC000019233380 169512868 /nfs/dbraw/zinc/51/28/68/169512868.db2.gz LWXJRTDKHQLFIL-RDJZCZTQSA-N 1 0 247.426 4.942 10 0 BJAERO CCC[C@@H]([NH2+][C@H](C)CCC(C)C)c1ccccc1 ZINC000019233381 169403290 /nfs/dbraw/zinc/40/32/90/169403290.db2.gz LWXJRTDKHQLFIL-NVXWUHKLSA-N 1 0 247.426 4.942 10 0 BJAERO CC(C)CC(CC(C)C)[NH2+][C@H]1CCCC[C@@H]1C ZINC000019981896 166779519 /nfs/dbraw/zinc/77/95/19/166779519.db2.gz CPMITLLIVYAICZ-HOCLYGCPSA-N 1 0 239.447 4.616 10 0 BJAERO CCC(C)(C)C1CCC([NH2+]C2CCCC2)CC1 ZINC000019991311 168271103 /nfs/dbraw/zinc/27/11/03/168271103.db2.gz HMNOXUBNCUWJNN-UHFFFAOYSA-N 1 0 237.431 4.514 10 0 BJAERO CC(C)CCCCCC[NH2+]C1CCCCCC1 ZINC000019994333 166801830 /nfs/dbraw/zinc/80/18/30/166801830.db2.gz BVBZHBGQJPXLEI-UHFFFAOYSA-N 1 0 239.447 4.905 10 0 BJAERO CCCC[C@@H](CC)C[NH2+]Cc1ccc(CC)cc1 ZINC000020002245 168959180 /nfs/dbraw/zinc/95/91/80/168959180.db2.gz MSFNPLNVAWVNIQ-MRXNPFEDSA-N 1 0 247.426 4.555 10 0 BJAERO CC(C)C[NH2+]C1CCCCCCCCCCC1 ZINC000020002867 167003533 /nfs/dbraw/zinc/00/35/33/167003533.db2.gz IPQFKDOOYSPAGI-UHFFFAOYSA-N 1 0 239.447 4.905 10 0 BJAERO Cc1ccc(C[NH2+]C2CCCCCCC2)c(C)c1 ZINC000020013025 178603294 /nfs/dbraw/zinc/60/32/94/178603294.db2.gz IQPGBCKRBKLIEM-UHFFFAOYSA-N 1 0 245.410 4.506 10 0 BJAERO CCCCCC[C@@H](C)[NH2+][C@H]1CCc2ccccc21 ZINC000020520253 168673995 /nfs/dbraw/zinc/67/39/95/168673995.db2.gz SCYNCCXRKFTMNA-PBHICJAKSA-N 1 0 245.410 4.622 10 0 BJAERO CCCCc1ccc([C@@H](C)[NH2+][C@@H](C)C(C)C)cc1 ZINC000020522497 169022152 /nfs/dbraw/zinc/02/21/52/169022152.db2.gz XZVNWCAZQLCZFD-LSDHHAIUSA-N 1 0 247.426 4.724 10 0 BJAERO CCCCc1ccc([C@H](C)[NH2+][C@@H](C)C(C)C)cc1 ZINC000020522499 169023500 /nfs/dbraw/zinc/02/35/00/169023500.db2.gz XZVNWCAZQLCZFD-GJZGRUSLSA-N 1 0 247.426 4.724 10 0 BJAERO CCCCc1ccc([C@@H](C)[NH2+][C@H](C)C(C)C)cc1 ZINC000020522500 169022282 /nfs/dbraw/zinc/02/22/82/169022282.db2.gz XZVNWCAZQLCZFD-HUUCEWRRSA-N 1 0 247.426 4.724 10 0 BJAERO CCCCc1ccc([C@H](C)[NH2+][C@H](C)C(C)C)cc1 ZINC000020522502 169023624 /nfs/dbraw/zinc/02/36/24/169023624.db2.gz XZVNWCAZQLCZFD-CABCVRRESA-N 1 0 247.426 4.724 10 0 BJAERO CC(C)[C@@H](C)[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000020523085 167383717 /nfs/dbraw/zinc/38/37/17/167383717.db2.gz GSYBWLYTUGDQSG-KGLIPLIRSA-N 1 0 247.426 4.679 10 0 BJAERO CC(C)[C@@H](C)[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000020523087 167385397 /nfs/dbraw/zinc/38/53/97/167385397.db2.gz GSYBWLYTUGDQSG-ZIAGYGMSSA-N 1 0 247.426 4.679 10 0 BJAERO CC(C)[C@@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000020523219 259399192 /nfs/dbraw/zinc/39/91/92/259399192.db2.gz IHFRFVBPNGCYIO-KGLIPLIRSA-N 1 0 241.378 4.535 10 0 BJAERO CC(C)[C@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000020523220 259399240 /nfs/dbraw/zinc/39/92/40/259399240.db2.gz IHFRFVBPNGCYIO-KBPBESRZSA-N 1 0 241.378 4.535 10 0 BJAERO CC(C)[C@@H](C)[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC000020523222 259399201 /nfs/dbraw/zinc/39/92/01/259399201.db2.gz IHFRFVBPNGCYIO-ZIAGYGMSSA-N 1 0 241.378 4.535 10 0 BJAERO CC(C)[C@H](C)[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC000020523223 259398878 /nfs/dbraw/zinc/39/88/78/259398878.db2.gz IHFRFVBPNGCYIO-UONOGXRCSA-N 1 0 241.378 4.535 10 0 BJAERO CCC(CC)[NH2+][C@@H]1CCC(C)(C)c2ccccc21 ZINC000020525529 168390590 /nfs/dbraw/zinc/39/05/90/168390590.db2.gz UUNQYIVNYZFURW-MRXNPFEDSA-N 1 0 245.410 4.577 10 0 BJAERO CCC(CC)[NH2+][C@H]1CCC(C)(C)c2ccccc21 ZINC000020525530 168392608 /nfs/dbraw/zinc/39/26/08/168392608.db2.gz UUNQYIVNYZFURW-INIZCTEOSA-N 1 0 245.410 4.577 10 0 BJAERO CCC(CC)[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC000020545078 168391556 /nfs/dbraw/zinc/39/15/56/168391556.db2.gz ZDTBPPSJMABRGU-ZDUSSCGKSA-N 1 0 233.399 4.649 10 0 BJAERO CCC(CC)[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC000020545079 168392648 /nfs/dbraw/zinc/39/26/48/168392648.db2.gz ZDTBPPSJMABRGU-CYBMUJFWSA-N 1 0 233.399 4.649 10 0 BJAERO Cc1ccc([C@@H](C)[NH2+]CCC2=CCCCC2)cc1 ZINC000020545137 178839209 /nfs/dbraw/zinc/83/92/09/178839209.db2.gz UFJHLTFCWAVKFV-OAHLLOKOSA-N 1 0 243.394 4.536 10 0 BJAERO Cc1ccc([C@H](C)[NH2+]CCC2=CCCCC2)cc1 ZINC000020545138 178888615 /nfs/dbraw/zinc/88/86/15/178888615.db2.gz UFJHLTFCWAVKFV-HNNXBMFYSA-N 1 0 243.394 4.536 10 0 BJAERO CCCC[C@@H]([NH3+])c1ccc(C2CCCCC2)cc1 ZINC000020546893 168971093 /nfs/dbraw/zinc/97/10/93/168971093.db2.gz KTXKFJOPMOCUKX-QGZVFWFLSA-N 1 0 245.410 4.924 10 0 BJAERO CCCC[C@H]([NH3+])c1ccc(C2CCCCC2)cc1 ZINC000020546895 169009462 /nfs/dbraw/zinc/00/94/62/169009462.db2.gz KTXKFJOPMOCUKX-KRWDZBQOSA-N 1 0 245.410 4.924 10 0 BJAERO CC(C)(C)c1ccc([C@@H]([NH3+])C2CCCCC2)cc1 ZINC000020549537 188463536 /nfs/dbraw/zinc/46/35/36/188463536.db2.gz JCSZBEWOICNCOV-INIZCTEOSA-N 1 0 245.410 4.564 10 0 BJAERO CC(C)(C)c1ccc([C@H]([NH3+])C2CCCCC2)cc1 ZINC000020549538 188282405 /nfs/dbraw/zinc/28/24/05/188282405.db2.gz JCSZBEWOICNCOV-MRXNPFEDSA-N 1 0 245.410 4.564 10 0 BJAERO CCC(CC)[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000020556246 168391367 /nfs/dbraw/zinc/39/13/67/168391367.db2.gz AALBPTJQVUYFDF-ZDUSSCGKSA-N 1 0 247.426 4.823 10 0 BJAERO CCC(CC)[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000020556247 168392699 /nfs/dbraw/zinc/39/26/99/168392699.db2.gz AALBPTJQVUYFDF-CYBMUJFWSA-N 1 0 247.426 4.823 10 0 BJAERO CC(C)[C@@H](C)[NH2+][C@@H](C)c1cccc2ccccc21 ZINC000020559990 167383517 /nfs/dbraw/zinc/38/35/17/167383517.db2.gz VFBDKLWPEMKSOD-KGLIPLIRSA-N 1 0 241.378 4.535 10 0 BJAERO CC(C)[C@H](C)[NH2+][C@@H](C)c1cccc2ccccc21 ZINC000020559992 371297893 /nfs/dbraw/zinc/29/78/93/371297893.db2.gz VFBDKLWPEMKSOD-KBPBESRZSA-N 1 0 241.378 4.535 10 0 BJAERO CC(C)[C@@H](C)[NH2+][C@H](C)c1cccc2ccccc21 ZINC000020559994 167385082 /nfs/dbraw/zinc/38/50/82/167385082.db2.gz VFBDKLWPEMKSOD-ZIAGYGMSSA-N 1 0 241.378 4.535 10 0 BJAERO CC(C)[C@H](C)[NH2+][C@H](C)c1cccc2ccccc21 ZINC000020559996 388776903 /nfs/dbraw/zinc/77/69/03/388776903.db2.gz VFBDKLWPEMKSOD-UONOGXRCSA-N 1 0 241.378 4.535 10 0 BJAERO CCCCCC[NH2+][C@@H](C)c1cc(C)c(C)cc1C ZINC000020562132 168668100 /nfs/dbraw/zinc/66/81/00/168668100.db2.gz DJTQCBFLPOEQTH-INIZCTEOSA-N 1 0 247.426 4.843 10 0 BJAERO CCCC(CCC)[NH2+][C@@H](C)CCc1ccccc1 ZINC000020563934 168583162 /nfs/dbraw/zinc/58/31/62/168583162.db2.gz OGNJSLFSWZDPQK-HNNXBMFYSA-N 1 0 247.426 4.566 10 0 BJAERO CC[C@H](C)[C@@H]([NH3+])c1ccc(C(C)C)cc1C(C)C ZINC000021007837 171372630 /nfs/dbraw/zinc/37/26/30/171372630.db2.gz HYYAUDTWCGUKTI-SUMWQHHRSA-N 1 0 247.426 4.979 10 0 BJAERO CC[C@@H](C)[C@H]([NH3+])c1ccc(C(C)C)cc1C(C)C ZINC000021007839 170797012 /nfs/dbraw/zinc/79/70/12/170797012.db2.gz HYYAUDTWCGUKTI-DYVFJYSZSA-N 1 0 247.426 4.979 10 0 BJAERO CC[C@H](C)[C@H]([NH3+])c1ccc(C(C)C)cc1C(C)C ZINC000021007841 171396094 /nfs/dbraw/zinc/39/60/94/171396094.db2.gz HYYAUDTWCGUKTI-GUYCJALGSA-N 1 0 247.426 4.979 10 0 BJAERO CCC(CC)[C@H]([NH3+])c1ccc([C@H](C)CC)cc1 ZINC000021011547 168407197 /nfs/dbraw/zinc/40/71/97/168407197.db2.gz JDZSFEIULDIBIX-WBMJQRKESA-N 1 0 233.399 4.636 10 0 BJAERO CCC(CC)[C@H]([NH3+])c1ccc([C@@H](C)CC)cc1 ZINC000021011549 168406592 /nfs/dbraw/zinc/40/65/92/168406592.db2.gz JDZSFEIULDIBIX-LRDDRELGSA-N 1 0 233.399 4.636 10 0 BJAERO CCC[C@@H](C)[NH2+][C@@H](C)c1cccc2ccccc21 ZINC000021047564 169370873 /nfs/dbraw/zinc/37/08/73/169370873.db2.gz MBBATWUHKOCMEW-KGLIPLIRSA-N 1 0 241.378 4.679 10 0 BJAERO CCC[C@@H](C)[NH2+][C@H](C)c1cccc2ccccc21 ZINC000021047575 169371634 /nfs/dbraw/zinc/37/16/34/169371634.db2.gz MBBATWUHKOCMEW-ZIAGYGMSSA-N 1 0 241.378 4.679 10 0 BJAERO CCCCc1ccc([C@@H](C)[NH2+]CCC(C)C)cc1 ZINC000021501002 169021953 /nfs/dbraw/zinc/02/19/53/169021953.db2.gz QNKGYEVKWSWQPJ-OAHLLOKOSA-N 1 0 247.426 4.726 10 0 BJAERO CCCCc1ccc([C@H](C)[NH2+]CCC(C)C)cc1 ZINC000021501004 169023055 /nfs/dbraw/zinc/02/30/55/169023055.db2.gz QNKGYEVKWSWQPJ-HNNXBMFYSA-N 1 0 247.426 4.726 10 0 BJAERO CCC[C@@H](C)[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000021505436 169370548 /nfs/dbraw/zinc/37/05/48/169370548.db2.gz LPFAJYYZGLVCFO-KGLIPLIRSA-N 1 0 247.426 4.823 10 0 BJAERO CCC[C@H](C)[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000021505437 169493875 /nfs/dbraw/zinc/49/38/75/169493875.db2.gz LPFAJYYZGLVCFO-KBPBESRZSA-N 1 0 247.426 4.823 10 0 BJAERO CCC[C@@H](C)[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000021505439 169371614 /nfs/dbraw/zinc/37/16/14/169371614.db2.gz LPFAJYYZGLVCFO-ZIAGYGMSSA-N 1 0 247.426 4.823 10 0 BJAERO CCC[C@H](C)[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000021505440 169494227 /nfs/dbraw/zinc/49/42/27/169494227.db2.gz LPFAJYYZGLVCFO-UONOGXRCSA-N 1 0 247.426 4.823 10 0 BJAERO CC(C)CC[C@H](C)[NH2+]C(CC(C)C)CC(C)C ZINC000021506667 166902431 /nfs/dbraw/zinc/90/24/31/166902431.db2.gz YFDSVZZPUAKSFW-HNNXBMFYSA-N 1 0 241.463 4.862 10 0 BJAERO CCCCc1ccc([C@@H](C)[NH2+]C(CC)CC)cc1 ZINC000021512082 169022367 /nfs/dbraw/zinc/02/23/67/169022367.db2.gz KGNDBJVDVHTVKX-CQSZACIVSA-N 1 0 247.426 4.868 10 0 BJAERO CCCCc1ccc([C@H](C)[NH2+]C(CC)CC)cc1 ZINC000021512084 169023036 /nfs/dbraw/zinc/02/30/36/169023036.db2.gz KGNDBJVDVHTVKX-AWEZNQCLSA-N 1 0 247.426 4.868 10 0 BJAERO CCC(CC)[NH2+][C@@H](C)c1ccc(CC(C)C)cc1 ZINC000021512657 168391888 /nfs/dbraw/zinc/39/18/88/168391888.db2.gz IESDNZXARUMCBQ-AWEZNQCLSA-N 1 0 247.426 4.724 10 0 BJAERO CCC(CC)[NH2+][C@H](C)c1ccc(CC(C)C)cc1 ZINC000021512658 168392697 /nfs/dbraw/zinc/39/26/97/168392697.db2.gz IESDNZXARUMCBQ-CQSZACIVSA-N 1 0 247.426 4.724 10 0 BJAERO CCc1ccc([C@@H]([NH2+]CCC(C)C)C(C)C)cc1 ZINC000021513572 171835254 /nfs/dbraw/zinc/83/52/54/171835254.db2.gz ZREYXXLQOGGQKW-KRWDZBQOSA-N 1 0 247.426 4.582 10 0 BJAERO Cc1cc(C)c(C[NH2+][C@H](C)CCC(C)C)c(C)c1 ZINC000021513902 177862050 /nfs/dbraw/zinc/86/20/50/177862050.db2.gz SSMYPMOKBRXTOA-MRXNPFEDSA-N 1 0 247.426 4.526 10 0 BJAERO C[C@@H]1CCC[C@@H](C)C1[NH2+]C1CCCCCCC1 ZINC000021516507 176113367 /nfs/dbraw/zinc/11/33/67/176113367.db2.gz CVBCSYZRBRFIBP-ZIAGYGMSSA-N 1 0 237.431 4.514 10 0 BJAERO C[C@@H]1CCC[C@H](C)C1[NH2+]C1CCCCCCC1 ZINC000021516508 177113657 /nfs/dbraw/zinc/11/36/57/177113657.db2.gz CVBCSYZRBRFIBP-MZBDJJRSSA-N 1 0 237.431 4.514 10 0 BJAERO C[C@H]1CCC[C@H](C)C1[NH2+]C1CCCCCCC1 ZINC000021516509 177129959 /nfs/dbraw/zinc/12/99/59/177129959.db2.gz CVBCSYZRBRFIBP-KBPBESRZSA-N 1 0 237.431 4.514 10 0 BJAERO CC[C@H](C)c1ccc([C@@H]([NH3+])C2CCCCC2)cc1 ZINC000021520108 171411459 /nfs/dbraw/zinc/41/14/59/171411459.db2.gz CUMGVOMEVPTVLU-GUYCJALGSA-N 1 0 245.410 4.780 10 0 BJAERO CC[C@@H](C)c1ccc([C@H]([NH3+])C2CCCCC2)cc1 ZINC000021520109 170805443 /nfs/dbraw/zinc/80/54/43/170805443.db2.gz CUMGVOMEVPTVLU-CXAGYDPISA-N 1 0 245.410 4.780 10 0 BJAERO CC[C@H](C)c1ccc([C@H]([NH3+])C2CCCCC2)cc1 ZINC000021520110 171411656 /nfs/dbraw/zinc/41/16/56/171411656.db2.gz CUMGVOMEVPTVLU-SUMWQHHRSA-N 1 0 245.410 4.780 10 0 BJAERO CCC[C@@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000021792653 169370408 /nfs/dbraw/zinc/37/04/08/169370408.db2.gz WSLASGMVPWJEQK-KGLIPLIRSA-N 1 0 241.378 4.679 10 0 BJAERO CCC[C@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000021792656 169493902 /nfs/dbraw/zinc/49/39/02/169493902.db2.gz WSLASGMVPWJEQK-KBPBESRZSA-N 1 0 241.378 4.679 10 0 BJAERO CCC[C@@H](C)[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC000021792660 169371822 /nfs/dbraw/zinc/37/18/22/169371822.db2.gz WSLASGMVPWJEQK-ZIAGYGMSSA-N 1 0 241.378 4.679 10 0 BJAERO CCC[C@@H](C)[NH2+]C1CCC(C(C)(C)CC)CC1 ZINC000021793783 169370145 /nfs/dbraw/zinc/37/01/45/169370145.db2.gz FOYORQBBHMQGHR-WLYUNCDWSA-N 1 0 239.447 4.760 10 0 BJAERO CCC[NH2+]C1CCCCCCCCCCC1 ZINC000021800712 169256033 /nfs/dbraw/zinc/25/60/33/169256033.db2.gz WNHMPWOOBQSOCX-UHFFFAOYSA-N 1 0 225.420 4.659 10 0 BJAERO CCC(CC)[NH2+][C@@H](CC(C)C)c1ccccc1 ZINC000021801723 168390996 /nfs/dbraw/zinc/39/09/96/168390996.db2.gz KHWSJGCNAIMIRQ-INIZCTEOSA-N 1 0 233.399 4.552 10 0 BJAERO CCC(CC)[NH2+][C@H](CC(C)C)c1ccccc1 ZINC000021801725 168392605 /nfs/dbraw/zinc/39/26/05/168392605.db2.gz KHWSJGCNAIMIRQ-MRXNPFEDSA-N 1 0 233.399 4.552 10 0 BJAERO CC[C@H](C[C@@H](C)CC)[NH2+]CCC1=CCCCC1 ZINC000021802489 171295176 /nfs/dbraw/zinc/29/51/76/171295176.db2.gz SRDXZXJTRSSALJ-GOEBONIOSA-N 1 0 237.431 4.681 10 0 BJAERO CC[C@H](C)C[C@H](CC)[NH2+]CCC1=CCCCC1 ZINC000021802494 171299221 /nfs/dbraw/zinc/29/92/21/171299221.db2.gz SRDXZXJTRSSALJ-HOCLYGCPSA-N 1 0 237.431 4.681 10 0 BJAERO Cc1ccc(C[NH2+]CCCCCCC(C)C)cc1 ZINC000021804006 187254077 /nfs/dbraw/zinc/25/40/77/187254077.db2.gz GXWKCDWHOLFMJJ-UHFFFAOYSA-N 1 0 247.426 4.691 10 0 BJAERO CCCC[C@H]([NH2+]C1CCCC1)c1ccc(F)cc1 ZINC000021807689 169011813 /nfs/dbraw/zinc/01/18/13/169011813.db2.gz HFAKVGSDUZKWTF-INIZCTEOSA-N 1 0 249.373 4.589 10 0 BJAERO Cc1ccccc1[C@H](C)[NH2+][C@H](C)CCCC(C)C ZINC000021809694 179339008 /nfs/dbraw/zinc/33/90/08/179339008.db2.gz OUJXCCWNVMAJHE-CVEARBPZSA-N 1 0 247.426 4.860 10 0 BJAERO Cc1ccccc1[C@H](C)[NH2+][C@@H](C)CCCC(C)C ZINC000021809697 179338971 /nfs/dbraw/zinc/33/89/71/179338971.db2.gz OUJXCCWNVMAJHE-HOTGVXAUSA-N 1 0 247.426 4.860 10 0 BJAERO Cc1ccccc1[C@@H](C)[NH2+][C@H](C)CCCC(C)C ZINC000021809699 179322954 /nfs/dbraw/zinc/32/29/54/179322954.db2.gz OUJXCCWNVMAJHE-HZPDHXFCSA-N 1 0 247.426 4.860 10 0 BJAERO Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)CCCC(C)C ZINC000021809702 179320718 /nfs/dbraw/zinc/32/07/18/179320718.db2.gz OUJXCCWNVMAJHE-JKSUJKDBSA-N 1 0 247.426 4.860 10 0 BJAERO CCC[C@H]([NH2+]C1CCC(C)CC1)c1ccccc1 ZINC000021812582 169510233 /nfs/dbraw/zinc/51/02/33/169510233.db2.gz ZKIZHYLDXFFNTR-PREGVCBESA-N 1 0 245.410 4.696 10 0 BJAERO Cc1ccc([C@@H](C)[NH2+]C2CCCCCC2)c(C)c1 ZINC000021813171 178838068 /nfs/dbraw/zinc/83/80/68/178838068.db2.gz LJHWBJYDWBBHQQ-OAHLLOKOSA-N 1 0 245.410 4.677 10 0 BJAERO CCCCc1ccc([C@@H]([NH3+])C2CCCCC2)cc1 ZINC000021819334 169022245 /nfs/dbraw/zinc/02/22/45/169022245.db2.gz ZKAKTYRLMVJKER-KRWDZBQOSA-N 1 0 245.410 4.609 10 0 BJAERO CCCCc1ccc([C@H]([NH3+])C2CCCCC2)cc1 ZINC000021819336 169023502 /nfs/dbraw/zinc/02/35/02/169023502.db2.gz ZKAKTYRLMVJKER-QGZVFWFLSA-N 1 0 245.410 4.609 10 0 BJAERO CCCCc1ccc([C@@H](C)[NH2+]C2CCCC2)cc1 ZINC000022148995 169021724 /nfs/dbraw/zinc/02/17/24/169021724.db2.gz UEOYSKPIROEKHL-CQSZACIVSA-N 1 0 245.410 4.622 10 0 BJAERO CCCCc1ccc([C@H](C)[NH2+]C2CCCC2)cc1 ZINC000022148999 169023326 /nfs/dbraw/zinc/02/33/26/169023326.db2.gz UEOYSKPIROEKHL-AWEZNQCLSA-N 1 0 245.410 4.622 10 0 BJAERO CC(C)CC[NH2+][C@@H](C)c1ccc(CC(C)C)cc1 ZINC000022154080 166863159 /nfs/dbraw/zinc/86/31/59/166863159.db2.gz QOKVORAWLUVWFU-HNNXBMFYSA-N 1 0 247.426 4.582 10 0 BJAERO CCCCCC[C@@H]([NH2+]CCC)c1ccccc1 ZINC000034218081 168676365 /nfs/dbraw/zinc/67/63/65/168676365.db2.gz JZTDWCBEKZDIEG-MRXNPFEDSA-N 1 0 233.399 4.698 10 0 BJAERO CC(C)=CCC/C(C)=C/CCC(C)(C)CC[NH3+] ZINC000034218261 345819535 /nfs/dbraw/zinc/81/95/35/345819535.db2.gz YHDBMRHXOKYRNC-XNTDXEJSSA-N 1 0 237.431 4.834 10 0 BJAERO CCCC1(CCC)CC(C)(C)C[C@@](C)([NH3+])C1 ZINC000034398795 188183222 /nfs/dbraw/zinc/18/32/22/188183222.db2.gz WCBGLHDVUJFUDO-CQSZACIVSA-N 1 0 225.420 4.501 10 0 BJAERO CCCC1(CCC)CC(C)(C)C[C@](C)([NH3+])C1 ZINC000034398796 187321619 /nfs/dbraw/zinc/32/16/19/187321619.db2.gz WCBGLHDVUJFUDO-AWEZNQCLSA-N 1 0 225.420 4.501 10 0 BJAERO C=CCCCCCCCC[NH2+]CCCCC=C ZINC000034485539 345835881 /nfs/dbraw/zinc/83/58/81/345835881.db2.gz DZLGJJQPAHEMHB-UHFFFAOYSA-N 1 0 237.431 4.849 10 0 BJAERO C([NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1)C1CCCCC1 ZINC000034994773 187257374 /nfs/dbraw/zinc/25/73/74/187257374.db2.gz GZBYAYYNVYJPTD-GVDBMIGSSA-N 1 0 249.442 4.515 10 0 BJAERO C([NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1)C1CCCCC1 ZINC000034994775 188467325 /nfs/dbraw/zinc/46/73/25/188467325.db2.gz GZBYAYYNVYJPTD-BRWVUGGUSA-N 1 0 249.442 4.515 10 0 BJAERO C1CCC([NH2+][C@H]2CCCC[C@@H]2C2CCCCC2)C1 ZINC000034994952 188467372 /nfs/dbraw/zinc/46/73/72/188467372.db2.gz QLTAZAPUVKVHTH-SJORKVTESA-N 1 0 249.442 4.658 10 0 BJAERO CCCCCC[C@H](C)[NH2+]C1[C@H](C)CCC[C@@H]1C ZINC000034995405 168677743 /nfs/dbraw/zinc/67/77/43/168677743.db2.gz XVQKMAGDYWOSMJ-QGPPMGRFSA-N 1 0 239.447 4.760 10 0 BJAERO CCCCCC[C@@H](C)[NH2+]C1[C@@H](C)CCC[C@@H]1C ZINC000034995406 168674482 /nfs/dbraw/zinc/67/44/82/168674482.db2.gz XVQKMAGDYWOSMJ-SOUVJXGZSA-N 1 0 239.447 4.760 10 0 BJAERO CC1CCC([NH2+][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CC1 ZINC000034995805 168164692 /nfs/dbraw/zinc/16/46/92/168164692.db2.gz KCJFEERYDPAGFZ-MNSQOIKPSA-N 1 0 249.442 4.514 10 0 BJAERO CC1CCC([NH2+][C@H]2CC[C@@H]3CCCC[C@@H]3C2)CC1 ZINC000034995806 168165711 /nfs/dbraw/zinc/16/57/11/168165711.db2.gz KCJFEERYDPAGFZ-FXUHHZDVSA-N 1 0 249.442 4.514 10 0 BJAERO CC1CCC([NH2+][C@@H]2CC[C@H]3CCCC[C@@H]3C2)CC1 ZINC000034995807 168164189 /nfs/dbraw/zinc/16/41/89/168164189.db2.gz KCJFEERYDPAGFZ-VYKNEJCXSA-N 1 0 249.442 4.514 10 0 BJAERO CC1CCC([NH2+][C@H]2CC[C@H]3CCCC[C@@H]3C2)CC1 ZINC000034995808 168165388 /nfs/dbraw/zinc/16/53/88/168165388.db2.gz KCJFEERYDPAGFZ-LXJVZLBISA-N 1 0 249.442 4.514 10 0 BJAERO CCC[C@@H]([NH2+]CC(CC)CC)c1ccccc1 ZINC000035013114 169399910 /nfs/dbraw/zinc/39/99/10/169399910.db2.gz XEEQMNSLLCTTQH-MRXNPFEDSA-N 1 0 233.399 4.554 10 0 BJAERO CC(C)[C@@H]([NH2+]C1CCC(C)CC1)c1ccccc1 ZINC000035015821 168163810 /nfs/dbraw/zinc/16/38/10/168163810.db2.gz KIGNQPMMWFMFHD-BDVYOWHSSA-N 1 0 245.410 4.552 10 0 BJAERO CC(C)[C@H]([NH2+]C1CCC(C)CC1)c1ccccc1 ZINC000035015824 168165130 /nfs/dbraw/zinc/16/51/30/168165130.db2.gz KIGNQPMMWFMFHD-PREGVCBESA-N 1 0 245.410 4.552 10 0 BJAERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C)c1ccco1 ZINC000035136971 176894517 /nfs/dbraw/zinc/89/45/17/176894517.db2.gz UBPLTZURMZMLER-MELADBBJSA-N 1 0 249.398 4.535 10 0 BJAERO C[C@@H]([NH2+][C@H]1CCCC[C@@H]1C(C)(C)C)c1ccco1 ZINC000035136976 175924554 /nfs/dbraw/zinc/92/45/54/175924554.db2.gz UBPLTZURMZMLER-RDBSUJKOSA-N 1 0 249.398 4.535 10 0 BJAERO CCCC[C@H](CC)[C@H]([NH2+]C)c1ccc(C)c(C)c1 ZINC000035457133 169001026 /nfs/dbraw/zinc/00/10/26/169001026.db2.gz FPUABWPGBVCZSW-RDJZCZTQSA-N 1 0 247.426 4.780 10 0 BJAERO CCCC[C@H](CC)[C@@H]([NH2+]C)c1ccc(C)c(C)c1 ZINC000035457140 169001659 /nfs/dbraw/zinc/00/16/59/169001659.db2.gz FPUABWPGBVCZSW-DOTOQJQBSA-N 1 0 247.426 4.780 10 0 BJAERO C[NH2+][C@H](CC1CCCCC1)c1ccc(C)c(C)c1 ZINC000035457190 173451611 /nfs/dbraw/zinc/45/16/11/173451611.db2.gz ORPGZCOFQXNELY-QGZVFWFLSA-N 1 0 245.410 4.534 10 0 BJAERO CCC[C@@H](C)[C@H]([NH2+]C)c1ccc(CC(C)C)cc1 ZINC000035459582 169373161 /nfs/dbraw/zinc/37/31/61/169373161.db2.gz GNAFNGTWZVKBFM-PBHICJAKSA-N 1 0 247.426 4.582 10 0 BJAERO CCC[C@H](C)[C@H]([NH2+]C)c1ccc(CC(C)C)cc1 ZINC000035459584 169495309 /nfs/dbraw/zinc/49/53/09/169495309.db2.gz GNAFNGTWZVKBFM-YOEHRIQHSA-N 1 0 247.426 4.582 10 0 BJAERO CCC[C@@H](C)[C@@H]([NH2+]C)c1ccc(CC(C)C)cc1 ZINC000035459586 169372007 /nfs/dbraw/zinc/37/20/07/169372007.db2.gz GNAFNGTWZVKBFM-RHSMWYFYSA-N 1 0 247.426 4.582 10 0 BJAERO CCC[C@H](C)[C@@H]([NH2+]C)c1ccc(CC(C)C)cc1 ZINC000035459589 169494775 /nfs/dbraw/zinc/49/47/75/169494775.db2.gz GNAFNGTWZVKBFM-WMLDXEAASA-N 1 0 247.426 4.582 10 0 BJAERO C[NH2+][C@H](CCC(C)C)c1ccc(CC(C)C)cc1 ZINC000035459594 173451850 /nfs/dbraw/zinc/45/18/50/173451850.db2.gz ONKOGZCMXXQCNR-QGZVFWFLSA-N 1 0 247.426 4.582 10 0 BJAERO C[NH2+][C@@H](C[C@@H](C)CC(C)(C)C)c1ccc(C)cc1 ZINC000035466120 173424209 /nfs/dbraw/zinc/42/42/09/173424209.db2.gz YLJJQEHKDFUFFH-ZBFHGGJFSA-N 1 0 247.426 4.718 10 0 BJAERO C[NH2+][C@H](C[C@H](C)CC(C)(C)C)c1ccc(C)cc1 ZINC000035466122 173453737 /nfs/dbraw/zinc/45/37/37/173453737.db2.gz YLJJQEHKDFUFFH-GOEBONIOSA-N 1 0 247.426 4.718 10 0 BJAERO C[NH2+][C@@H](C[C@H](C)CC(C)(C)C)c1ccc(C)cc1 ZINC000035466123 173424963 /nfs/dbraw/zinc/42/49/63/173424963.db2.gz YLJJQEHKDFUFFH-HOCLYGCPSA-N 1 0 247.426 4.718 10 0 BJAERO C[NH2+][C@H](CCC1CCCCC1)c1ccc(C)cc1 ZINC000035466247 173451723 /nfs/dbraw/zinc/45/17/23/173451723.db2.gz KIAHJHBOQMVSGY-QGZVFWFLSA-N 1 0 245.410 4.616 10 0 BJAERO CC[C@@H](C)[C@H]([NH2+]C)c1c(C)c(C)c(C)c(C)c1C ZINC000035467677 170797764 /nfs/dbraw/zinc/79/77/64/170797764.db2.gz FBYLKZOUANHXHI-QGHHPUGFSA-N 1 0 247.426 4.535 10 0 BJAERO CC[C@H](C)[C@@H]([NH2+]C)c1c(C)c(C)c(C)c(C)c1C ZINC000035467680 171373942 /nfs/dbraw/zinc/37/39/42/171373942.db2.gz FBYLKZOUANHXHI-DYZYQPBXSA-N 1 0 247.426 4.535 10 0 BJAERO CCCC[C@H](CC)[C@H]([NH2+]C)c1ccc(C)cc1C ZINC000035468103 169000556 /nfs/dbraw/zinc/00/05/56/169000556.db2.gz HNCCXEUYXNAYOT-RDJZCZTQSA-N 1 0 247.426 4.780 10 0 BJAERO CCCC[C@H](CC)[C@@H]([NH2+]C)c1ccc(C)cc1C ZINC000035468105 169001406 /nfs/dbraw/zinc/00/14/06/169001406.db2.gz HNCCXEUYXNAYOT-DOTOQJQBSA-N 1 0 247.426 4.780 10 0 BJAERO C[NH2+][C@H](CCC1CCCC1)c1ccc(C)cc1C ZINC000035468209 173451684 /nfs/dbraw/zinc/45/16/84/173451684.db2.gz NKOOCOZDJRTUBK-QGZVFWFLSA-N 1 0 245.410 4.534 10 0 BJAERO CCC[C@@H](C)[C@H]([NH2+]C)c1ccc([C@@H](C)CC)cc1 ZINC000035469060 169373726 /nfs/dbraw/zinc/37/37/26/169373726.db2.gz AJHIWQZGWSPVGS-VBQJREDUSA-N 1 0 247.426 4.897 10 0 BJAERO CCC[C@H](C)[C@H]([NH2+]C)c1ccc([C@@H](C)CC)cc1 ZINC000035469061 169495215 /nfs/dbraw/zinc/49/52/15/169495215.db2.gz AJHIWQZGWSPVGS-ZQIUZPCESA-N 1 0 247.426 4.897 10 0 BJAERO CCC[C@@H](C)[C@@H]([NH2+]C)c1ccc([C@@H](C)CC)cc1 ZINC000035469062 169372428 /nfs/dbraw/zinc/37/24/28/169372428.db2.gz AJHIWQZGWSPVGS-JJRVBVJISA-N 1 0 247.426 4.897 10 0 BJAERO CC[C@@H](C)c1ccc([C@H](CCC(C)C)[NH2+]C)cc1 ZINC000035469066 170805181 /nfs/dbraw/zinc/80/51/81/170805181.db2.gz VPCHZQIVPWLNAN-PBHICJAKSA-N 1 0 247.426 4.897 10 0 BJAERO CC[C@H](C)c1ccc([C@H](CCC(C)C)[NH2+]C)cc1 ZINC000035469067 171411822 /nfs/dbraw/zinc/41/18/22/171411822.db2.gz VPCHZQIVPWLNAN-YOEHRIQHSA-N 1 0 247.426 4.897 10 0 BJAERO CC[C@H](C)c1ccc([C@@H]([NH2+]C)[C@@H](C)CC)cc1 ZINC000035469139 171411146 /nfs/dbraw/zinc/41/11/46/171411146.db2.gz HPPSOBGKKNWCLV-XEZPLFJOSA-N 1 0 233.399 4.507 10 0 BJAERO CC[C@@H](C)c1ccc([C@H](CC(C)(C)C)[NH2+]C)cc1 ZINC000035469150 170804953 /nfs/dbraw/zinc/80/49/53/170804953.db2.gz CMAATUGSVKFENY-CJNGLKHVSA-N 1 0 247.426 4.897 10 0 BJAERO CC[C@H](C)c1ccc([C@H](CC(C)(C)C)[NH2+]C)cc1 ZINC000035469151 171411151 /nfs/dbraw/zinc/41/11/51/171411151.db2.gz CMAATUGSVKFENY-BBRMVZONSA-N 1 0 247.426 4.897 10 0 BJAERO CC[C@@H](C)c1ccc([C@@H](CC(C)C)[NH2+]C)cc1 ZINC000035469184 170804375 /nfs/dbraw/zinc/80/43/75/170804375.db2.gz UGDJORAQPGYPLQ-CZUORRHYSA-N 1 0 233.399 4.507 10 0 BJAERO CC[C@@H](C)c1ccc([C@H](CC(C)C)[NH2+]C)cc1 ZINC000035469186 170804962 /nfs/dbraw/zinc/80/49/62/170804962.db2.gz UGDJORAQPGYPLQ-CJNGLKHVSA-N 1 0 233.399 4.507 10 0 BJAERO CC[C@@H](C)c1ccc([C@H]([NH2+]C)C2CCCC2)cc1 ZINC000035469264 170805240 /nfs/dbraw/zinc/80/52/40/170805240.db2.gz VACIBHJJKFIKEL-CXAGYDPISA-N 1 0 245.410 4.651 10 0 BJAERO CC[C@H](C)c1ccc([C@H]([NH2+]C)C2CCCC2)cc1 ZINC000035469265 171411119 /nfs/dbraw/zinc/41/11/19/171411119.db2.gz VACIBHJJKFIKEL-SUMWQHHRSA-N 1 0 245.410 4.651 10 0 BJAERO CC[C@@H](C)c1ccc([C@@H]([NH2+]C)C2CCCC2)cc1 ZINC000035469266 170805071 /nfs/dbraw/zinc/80/50/71/170805071.db2.gz VACIBHJJKFIKEL-DYVFJYSZSA-N 1 0 245.410 4.651 10 0 BJAERO CC[C@H](C)c1ccc([C@@H]([NH2+]C)C2CCCC2)cc1 ZINC000035469267 171411144 /nfs/dbraw/zinc/41/11/44/171411144.db2.gz VACIBHJJKFIKEL-GUYCJALGSA-N 1 0 245.410 4.651 10 0 BJAERO CCCC[C@@H](CC)[C@H]([NH2+]C)c1cc(C)ccc1C ZINC000035489541 168960856 /nfs/dbraw/zinc/96/08/56/168960856.db2.gz JBHQLAYWNAHODA-WBVHZDCISA-N 1 0 247.426 4.780 10 0 BJAERO CCCC[C@H](CC)[C@H]([NH2+]C)c1cc(C)ccc1C ZINC000035489545 169000769 /nfs/dbraw/zinc/00/07/69/169000769.db2.gz JBHQLAYWNAHODA-RDJZCZTQSA-N 1 0 247.426 4.780 10 0 BJAERO CCCC[C@H](CC)[C@@H]([NH2+]C)c1cc(C)ccc1C ZINC000035489550 169000663 /nfs/dbraw/zinc/00/06/63/169000663.db2.gz JBHQLAYWNAHODA-DOTOQJQBSA-N 1 0 247.426 4.780 10 0 BJAERO C[NH2+][C@@H](CCC1CCCC1)c1cc(C)ccc1C ZINC000035489851 173422835 /nfs/dbraw/zinc/42/28/35/173422835.db2.gz JSLRABMMCZRXAI-KRWDZBQOSA-N 1 0 245.410 4.534 10 0 BJAERO CCCCC[C@H]([NH2+]C)c1c(C)c(C)cc(C)c1C ZINC000035491080 168745112 /nfs/dbraw/zinc/74/51/12/168745112.db2.gz IEOJFNSLOIJJBS-INIZCTEOSA-N 1 0 247.426 4.761 10 0 BJAERO CCCCC[C@@H]([NH2+]C)c1c(C)c(C)cc(C)c1C ZINC000035491084 168740178 /nfs/dbraw/zinc/74/01/78/168740178.db2.gz IEOJFNSLOIJJBS-MRXNPFEDSA-N 1 0 247.426 4.761 10 0 BJAERO CCC[C@@H](C)[C@H]([NH2+]C)c1c(C)c(C)cc(C)c1C ZINC000035491119 169373207 /nfs/dbraw/zinc/37/32/07/169373207.db2.gz KNPFSBAKAHWZRZ-DIFFPNOSSA-N 1 0 247.426 4.617 10 0 BJAERO CCC[C@@H](C)[C@@H]([NH2+]C)c1c(C)c(C)cc(C)c1C ZINC000035491127 169372425 /nfs/dbraw/zinc/37/24/25/169372425.db2.gz KNPFSBAKAHWZRZ-PIGZYNQJSA-N 1 0 247.426 4.617 10 0 BJAERO CCC[C@H](C)[C@@H]([NH2+]C)c1c(C)c(C)cc(C)c1C ZINC000035491132 169494799 /nfs/dbraw/zinc/49/47/99/169494799.db2.gz KNPFSBAKAHWZRZ-APPDUMDISA-N 1 0 247.426 4.617 10 0 BJAERO CCC(CC)[C@H]([NH2+]C)c1c(C)c(C)cc(C)c1C ZINC000035491464 168407405 /nfs/dbraw/zinc/40/74/05/168407405.db2.gz CKHMDNOJVWQZQF-KRWDZBQOSA-N 1 0 247.426 4.617 10 0 BJAERO CCCCc1ccc([C@H]([NH2+]C)[C@@H](C)CCC)cc1 ZINC000035492984 169023818 /nfs/dbraw/zinc/02/38/18/169023818.db2.gz WANKMYHMTQIWKY-WMLDXEAASA-N 1 0 247.426 4.726 10 0 BJAERO CCCCc1ccc([C@@H]([NH2+]C)[C@@H](C)CCC)cc1 ZINC000035492987 169022488 /nfs/dbraw/zinc/02/24/88/169022488.db2.gz WANKMYHMTQIWKY-YOEHRIQHSA-N 1 0 247.426 4.726 10 0 BJAERO CCCCc1ccc([C@H]([NH2+]C)[C@H](C)CCC)cc1 ZINC000035492989 169023847 /nfs/dbraw/zinc/02/38/47/169023847.db2.gz WANKMYHMTQIWKY-RHSMWYFYSA-N 1 0 247.426 4.726 10 0 BJAERO CCCCc1ccc([C@@H]([NH2+]C)[C@H](C)CCC)cc1 ZINC000035492992 169022327 /nfs/dbraw/zinc/02/23/27/169022327.db2.gz WANKMYHMTQIWKY-PBHICJAKSA-N 1 0 247.426 4.726 10 0 BJAERO CCCCc1ccc([C@@H](CCC(C)C)[NH2+]C)cc1 ZINC000035492994 169022359 /nfs/dbraw/zinc/02/23/59/169022359.db2.gz HTUKOKFBSHHRCD-QGZVFWFLSA-N 1 0 247.426 4.726 10 0 BJAERO CCCCc1ccc([C@H](CCC(C)C)[NH2+]C)cc1 ZINC000035492997 169023716 /nfs/dbraw/zinc/02/37/16/169023716.db2.gz HTUKOKFBSHHRCD-KRWDZBQOSA-N 1 0 247.426 4.726 10 0 BJAERO CCCCc1ccc([C@@H](CC(C)(C)C)[NH2+]C)cc1 ZINC000035493115 169022589 /nfs/dbraw/zinc/02/25/89/169022589.db2.gz VCDRPGJOJSNOOS-MRXNPFEDSA-N 1 0 247.426 4.726 10 0 BJAERO CCCCc1ccc([C@H](CC(C)(C)C)[NH2+]C)cc1 ZINC000035493117 169022736 /nfs/dbraw/zinc/02/27/36/169022736.db2.gz VCDRPGJOJSNOOS-INIZCTEOSA-N 1 0 247.426 4.726 10 0 BJAERO CCCCc1ccc([C@H]([NH2+]C)C(CC)CC)cc1 ZINC000035493310 169023323 /nfs/dbraw/zinc/02/33/23/169023323.db2.gz JYKUDUBOBUZBDK-QGZVFWFLSA-N 1 0 247.426 4.726 10 0 BJAERO CCCCc1ccc([C@@H]([NH2+]C)C(CC)CC)cc1 ZINC000035493313 169022203 /nfs/dbraw/zinc/02/22/03/169022203.db2.gz JYKUDUBOBUZBDK-KRWDZBQOSA-N 1 0 247.426 4.726 10 0 BJAERO CCC[C@@H](C)[C@H]([NH2+]C)c1ccc(C(C)(C)C)cc1 ZINC000035493514 169373224 /nfs/dbraw/zinc/37/32/24/169373224.db2.gz INNZWPAPOWPJJG-CJNGLKHVSA-N 1 0 247.426 4.681 10 0 BJAERO CCC[C@@H](C)[C@@H]([NH2+]C)c1ccc(C(C)(C)C)cc1 ZINC000035493519 169372417 /nfs/dbraw/zinc/37/24/17/169372417.db2.gz INNZWPAPOWPJJG-CZUORRHYSA-N 1 0 247.426 4.681 10 0 BJAERO CCC[C@H](C)[C@@H]([NH2+]C)c1ccc(C(C)(C)C)cc1 ZINC000035493522 169494890 /nfs/dbraw/zinc/49/48/90/169494890.db2.gz INNZWPAPOWPJJG-XJKSGUPXSA-N 1 0 247.426 4.681 10 0 BJAERO C[NH2+][C@H](CCC(C)C)c1ccc(C(C)(C)C)cc1 ZINC000035493528 173451617 /nfs/dbraw/zinc/45/16/17/173451617.db2.gz DYFNKBCYRTWKFW-MRXNPFEDSA-N 1 0 247.426 4.681 10 0 BJAERO CCC(CC)[C@H]([NH2+]C)c1ccc(C(C)(C)C)cc1 ZINC000035493797 168407079 /nfs/dbraw/zinc/40/70/79/168407079.db2.gz UWAIGZMOGUEYTG-INIZCTEOSA-N 1 0 247.426 4.681 10 0 BJAERO C[NH2+][C@@H](c1ccc(C(C)C)cc1C(C)C)C1CC1 ZINC000035494026 173427342 /nfs/dbraw/zinc/42/73/42/173427342.db2.gz FOLUNLUPSUYOGC-QGZVFWFLSA-N 1 0 245.410 4.604 10 0 BJAERO CCCC[C@H](CC)[C@H]([NH2+]C)c1ccc(CC)cc1 ZINC000035494985 169000705 /nfs/dbraw/zinc/00/07/05/169000705.db2.gz BHORNNRUYCZKAI-RDJZCZTQSA-N 1 0 247.426 4.726 10 0 BJAERO CCCC[C@H](CC)[C@@H]([NH2+]C)c1ccc(CC)cc1 ZINC000035494989 169001454 /nfs/dbraw/zinc/00/14/54/169001454.db2.gz BHORNNRUYCZKAI-DOTOQJQBSA-N 1 0 247.426 4.726 10 0 BJAERO CCCCC[C@H]([NH2+]C)c1csc2ccccc12 ZINC000035499550 168745519 /nfs/dbraw/zinc/74/55/19/168745519.db2.gz ACUIQFVBVKKILV-AWEZNQCLSA-N 1 0 247.407 4.742 10 0 BJAERO CCC[C@@H](C)[C@H]([NH2+]C)c1csc2ccccc21 ZINC000035499574 169373011 /nfs/dbraw/zinc/37/30/11/169373011.db2.gz VXRZDPFHJMNWNU-ABAIWWIYSA-N 1 0 247.407 4.598 10 0 BJAERO CCC[C@@H](C)[C@@H]([NH2+]C)c1csc2ccccc12 ZINC000035499577 169372376 /nfs/dbraw/zinc/37/23/76/169372376.db2.gz VXRZDPFHJMNWNU-IAQYHMDHSA-N 1 0 247.407 4.598 10 0 BJAERO CCC[C@H](C)[C@@H]([NH2+]C)c1csc2ccccc12 ZINC000035499579 169495081 /nfs/dbraw/zinc/49/50/81/169495081.db2.gz VXRZDPFHJMNWNU-XHDPSFHLSA-N 1 0 247.407 4.598 10 0 BJAERO CC[NH2+][C@@H](c1ccc(C)c(C)c1)C1CCCCC1 ZINC000035509494 170147878 /nfs/dbraw/zinc/14/78/78/170147878.db2.gz ZFDQTNCVOFWYCW-QGZVFWFLSA-N 1 0 245.410 4.534 10 0 BJAERO CC[NH2+][C@H](c1ccc(C)c(C)c1)C1CCCCC1 ZINC000035509496 170163253 /nfs/dbraw/zinc/16/32/53/170163253.db2.gz ZFDQTNCVOFWYCW-KRWDZBQOSA-N 1 0 245.410 4.534 10 0 BJAERO CC[NH2+][C@H](c1ccc(CC(C)C)cc1)[C@H](C)CC ZINC000035510592 170163096 /nfs/dbraw/zinc/16/30/96/170163096.db2.gz DGBHRDFIBZGCIZ-PBHICJAKSA-N 1 0 247.426 4.582 10 0 BJAERO CC[NH2+][C@H](c1ccc(CC(C)C)cc1)[C@@H](C)CC ZINC000035510594 170162990 /nfs/dbraw/zinc/16/29/90/170162990.db2.gz DGBHRDFIBZGCIZ-YOEHRIQHSA-N 1 0 247.426 4.582 10 0 BJAERO CC[NH2+][C@@H](c1ccc(CC(C)C)cc1)[C@H](C)CC ZINC000035510595 170147861 /nfs/dbraw/zinc/14/78/61/170147861.db2.gz DGBHRDFIBZGCIZ-RHSMWYFYSA-N 1 0 247.426 4.582 10 0 BJAERO CC[NH2+][C@@H](c1ccc(CC(C)C)cc1)[C@@H](C)CC ZINC000035510597 170147598 /nfs/dbraw/zinc/14/75/98/170147598.db2.gz DGBHRDFIBZGCIZ-WMLDXEAASA-N 1 0 247.426 4.582 10 0 BJAERO CC[NH2+][C@@H](CC(C)C)c1ccc(CC(C)C)cc1 ZINC000035510616 170143835 /nfs/dbraw/zinc/14/38/35/170143835.db2.gz NONKVUODSOZUPM-KRWDZBQOSA-N 1 0 247.426 4.582 10 0 BJAERO CC[NH2+][C@H](CC(C)C)c1ccc(CC(C)C)cc1 ZINC000035510618 170160673 /nfs/dbraw/zinc/16/06/73/170160673.db2.gz NONKVUODSOZUPM-QGZVFWFLSA-N 1 0 247.426 4.582 10 0 BJAERO CC[NH2+][C@@H](C[C@@H](C)CC(C)(C)C)c1ccccc1 ZINC000035540475 170146021 /nfs/dbraw/zinc/14/60/21/170146021.db2.gz IWEKJTPBOIHNDT-ZBFHGGJFSA-N 1 0 247.426 4.800 10 0 BJAERO CC[NH2+][C@H](C[C@@H](C)CC(C)(C)C)c1ccccc1 ZINC000035540476 170162222 /nfs/dbraw/zinc/16/22/22/170162222.db2.gz IWEKJTPBOIHNDT-GDBMZVCRSA-N 1 0 247.426 4.800 10 0 BJAERO CC[NH2+][C@@H](C[C@H](C)CC(C)(C)C)c1ccccc1 ZINC000035540477 170146607 /nfs/dbraw/zinc/14/66/07/170146607.db2.gz IWEKJTPBOIHNDT-HOCLYGCPSA-N 1 0 247.426 4.800 10 0 BJAERO CC[NH2+][C@H](C[C@H](C)CC(C)(C)C)c1ccccc1 ZINC000035540478 170162467 /nfs/dbraw/zinc/16/24/67/170162467.db2.gz IWEKJTPBOIHNDT-GOEBONIOSA-N 1 0 247.426 4.800 10 0 BJAERO CCCC[C@H](CC)[C@H]([NH2+]CC)c1ccccc1 ZINC000035540482 169001676 /nfs/dbraw/zinc/00/16/76/169001676.db2.gz FDZBHWGTJBFUAX-HOCLYGCPSA-N 1 0 233.399 4.554 10 0 BJAERO CCCC[C@H](CC)[C@@H]([NH2+]CC)c1ccccc1 ZINC000035540484 169000666 /nfs/dbraw/zinc/00/06/66/169000666.db2.gz FDZBHWGTJBFUAX-GOEBONIOSA-N 1 0 233.399 4.554 10 0 BJAERO CC[NH2+][C@@H](CCC1CCCCC1)c1ccccc1 ZINC000035540565 170145247 /nfs/dbraw/zinc/14/52/47/170145247.db2.gz IGRJUJSXGIEWGB-KRWDZBQOSA-N 1 0 245.410 4.698 10 0 BJAERO CC[NH2+][C@H](CCC1CCCCC1)c1ccccc1 ZINC000035540566 170161985 /nfs/dbraw/zinc/16/19/85/170161985.db2.gz IGRJUJSXGIEWGB-QGZVFWFLSA-N 1 0 245.410 4.698 10 0 BJAERO CCCC[C@H](CC)[C@H]([NH2+]CC)c1ccc(C)cc1 ZINC000035540989 169000805 /nfs/dbraw/zinc/00/08/05/169000805.db2.gz XJLPKLSPGXPMHV-RDJZCZTQSA-N 1 0 247.426 4.862 10 0 BJAERO CCCC[C@H](CC)[C@@H]([NH2+]CC)c1ccc(C)cc1 ZINC000035540991 169000738 /nfs/dbraw/zinc/00/07/38/169000738.db2.gz XJLPKLSPGXPMHV-DOTOQJQBSA-N 1 0 247.426 4.862 10 0 BJAERO CC[NH2+][C@@H](CC1CCCCC1)c1ccc(C)cc1 ZINC000035541004 170143715 /nfs/dbraw/zinc/14/37/15/170143715.db2.gz GQQHDEJADWUNHC-KRWDZBQOSA-N 1 0 245.410 4.616 10 0 BJAERO CC[NH2+][C@H](CC1CCCCC1)c1ccc(C)cc1 ZINC000035541005 170161767 /nfs/dbraw/zinc/16/17/67/170161767.db2.gz GQQHDEJADWUNHC-QGZVFWFLSA-N 1 0 245.410 4.616 10 0 BJAERO CC[NH2+][C@@H](CCC1CCCC1)c1ccc(C)cc1 ZINC000035541084 170145246 /nfs/dbraw/zinc/14/52/46/170145246.db2.gz FOELVGMWJXDXDF-KRWDZBQOSA-N 1 0 245.410 4.616 10 0 BJAERO CC[NH2+][C@H](CCC1CCCC1)c1ccc(C)cc1 ZINC000035541085 170161394 /nfs/dbraw/zinc/16/13/94/170161394.db2.gz FOELVGMWJXDXDF-QGZVFWFLSA-N 1 0 245.410 4.616 10 0 BJAERO CCCCC[C@H]([NH2+]CC)c1ccc(C)cc1C ZINC000035542644 168745099 /nfs/dbraw/zinc/74/50/99/168745099.db2.gz XKLNEIUYZYRLFV-INIZCTEOSA-N 1 0 233.399 4.534 10 0 BJAERO CC[NH2+][C@@H](c1ccc(C)cc1C)C1CCCCC1 ZINC000035542807 170147458 /nfs/dbraw/zinc/14/74/58/170147458.db2.gz XOEOHGHNIMYEIS-QGZVFWFLSA-N 1 0 245.410 4.534 10 0 BJAERO CC[NH2+][C@H](c1ccc(C)cc1C)C1CCCCC1 ZINC000035542808 170163321 /nfs/dbraw/zinc/16/33/21/170163321.db2.gz XOEOHGHNIMYEIS-KRWDZBQOSA-N 1 0 245.410 4.534 10 0 BJAERO CC[NH2+][C@@H](c1ccc([C@@H](C)CC)cc1)[C@@H](C)CC ZINC000035544220 170148922 /nfs/dbraw/zinc/14/89/22/170148922.db2.gz QJMJSCNEIIAORW-GRDNDAEWSA-N 1 0 247.426 4.897 10 0 BJAERO CC[NH2+][C@H](c1ccc([C@H](C)CC)cc1)[C@@H](C)CC ZINC000035544223 170164252 /nfs/dbraw/zinc/16/42/52/170164252.db2.gz QJMJSCNEIIAORW-KEYYUXOJSA-N 1 0 247.426 4.897 10 0 BJAERO CC[NH2+][C@H](c1ccc([C@@H](C)CC)cc1)[C@@H](C)CC ZINC000035544226 170164030 /nfs/dbraw/zinc/16/40/30/170164030.db2.gz QJMJSCNEIIAORW-ZQIUZPCESA-N 1 0 247.426 4.897 10 0 BJAERO CC[NH2+][C@H](CC(C)C)c1ccc([C@H](C)CC)cc1 ZINC000035544276 170161084 /nfs/dbraw/zinc/16/10/84/170161084.db2.gz PHNJFPPIEYFHTP-RHSMWYFYSA-N 1 0 247.426 4.897 10 0 BJAERO CC[NH2+][C@H](CC(C)C)c1ccc([C@@H](C)CC)cc1 ZINC000035544279 170160700 /nfs/dbraw/zinc/16/07/00/170160700.db2.gz PHNJFPPIEYFHTP-WMLDXEAASA-N 1 0 247.426 4.897 10 0 BJAERO CC[NH2+][C@@H](CC(C)C)c1ccc([C@H](C)CC)cc1 ZINC000035544282 170143950 /nfs/dbraw/zinc/14/39/50/170143950.db2.gz PHNJFPPIEYFHTP-PBHICJAKSA-N 1 0 247.426 4.897 10 0 BJAERO CC[NH2+][C@@H](CC(C)C)c1ccc([C@@H](C)CC)cc1 ZINC000035544285 170143619 /nfs/dbraw/zinc/14/36/19/170143619.db2.gz PHNJFPPIEYFHTP-YOEHRIQHSA-N 1 0 247.426 4.897 10 0 BJAERO CC[NH2+][C@@H](c1ccc([C@H](C)CC)cc1)C1CCC1 ZINC000035544393 170148637 /nfs/dbraw/zinc/14/86/37/170148637.db2.gz ZZFZOFYPWVJSQM-CXAGYDPISA-N 1 0 245.410 4.651 10 0 BJAERO CC[NH2+][C@@H](c1ccc([C@@H](C)CC)cc1)C1CCC1 ZINC000035544395 170148377 /nfs/dbraw/zinc/14/83/77/170148377.db2.gz ZZFZOFYPWVJSQM-SUMWQHHRSA-N 1 0 245.410 4.651 10 0 BJAERO CC[NH2+][C@H](c1ccc([C@H](C)CC)cc1)C1CCC1 ZINC000035544398 170164454 /nfs/dbraw/zinc/16/44/54/170164454.db2.gz ZZFZOFYPWVJSQM-DYVFJYSZSA-N 1 0 245.410 4.651 10 0 BJAERO CC[NH2+][C@H](c1ccc([C@@H](C)CC)cc1)C1CCC1 ZINC000035544400 170164265 /nfs/dbraw/zinc/16/42/65/170164265.db2.gz ZZFZOFYPWVJSQM-GUYCJALGSA-N 1 0 245.410 4.651 10 0 BJAERO CC[NH2+][C@@H](c1ccc([C@@H](C)CC)cc1)[C@@H]1C[C@@H]1C ZINC000035544416 170148834 /nfs/dbraw/zinc/14/88/34/170148834.db2.gz YAICRLFAOSIYCQ-CLROSIBMSA-N 1 0 245.410 4.507 10 0 BJAERO CC[NH2+][C@H](c1ccc([C@H](C)CC)cc1)[C@@H]1C[C@@H]1C ZINC000035544418 170164054 /nfs/dbraw/zinc/16/40/54/170164054.db2.gz YAICRLFAOSIYCQ-DLTLXFJOSA-N 1 0 245.410 4.507 10 0 BJAERO CC[NH2+][C@H](c1ccc([C@@H](C)CC)cc1)[C@@H]1C[C@@H]1C ZINC000035544421 170163922 /nfs/dbraw/zinc/16/39/22/170163922.db2.gz YAICRLFAOSIYCQ-WRFANHODSA-N 1 0 245.410 4.507 10 0 BJAERO CC[NH2+][C@@H](c1cc(C)ccc1C)C1CCCCC1 ZINC000035546595 170147271 /nfs/dbraw/zinc/14/72/71/170147271.db2.gz PINILTXUDXBTLP-QGZVFWFLSA-N 1 0 245.410 4.534 10 0 BJAERO CC[NH2+][C@H](c1cc(C)ccc1C)C1CCCCC1 ZINC000035546596 170163603 /nfs/dbraw/zinc/16/36/03/170163603.db2.gz PINILTXUDXBTLP-KRWDZBQOSA-N 1 0 245.410 4.534 10 0 BJAERO CC[NH2+][C@H](c1c(C)c(C)cc(C)c1C)[C@H](C)CC ZINC000035547128 170163008 /nfs/dbraw/zinc/16/30/08/170163008.db2.gz KXVXDQDJKSGJAZ-DIFFPNOSSA-N 1 0 247.426 4.617 10 0 BJAERO CC[NH2+][C@H](c1c(C)c(C)cc(C)c1C)[C@@H](C)CC ZINC000035547130 170163149 /nfs/dbraw/zinc/16/31/49/170163149.db2.gz KXVXDQDJKSGJAZ-GTNSWQLSSA-N 1 0 247.426 4.617 10 0 BJAERO CC[NH2+][C@@H](c1c(C)c(C)cc(C)c1C)[C@H](C)CC ZINC000035547132 170146614 /nfs/dbraw/zinc/14/66/14/170146614.db2.gz KXVXDQDJKSGJAZ-PIGZYNQJSA-N 1 0 247.426 4.617 10 0 BJAERO CC[NH2+][C@@H](c1c(C)c(C)cc(C)c1C)[C@@H](C)CC ZINC000035547134 170145780 /nfs/dbraw/zinc/14/57/80/170145780.db2.gz KXVXDQDJKSGJAZ-APPDUMDISA-N 1 0 247.426 4.617 10 0 BJAERO CC[NH2+][C@@H](CC(C)C)c1c(C)c(C)cc(C)c1C ZINC000035547156 170143238 /nfs/dbraw/zinc/14/32/38/170143238.db2.gz WTYGBPUYQMEWFI-INIZCTEOSA-N 1 0 247.426 4.617 10 0 BJAERO CC[NH2+][C@H](CC(C)C)c1c(C)c(C)cc(C)c1C ZINC000035547158 170160773 /nfs/dbraw/zinc/16/07/73/170160773.db2.gz WTYGBPUYQMEWFI-MRXNPFEDSA-N 1 0 247.426 4.617 10 0 BJAERO CCC[C@@H](C)[C@H]([NH2+]CC)c1c(C)cc(C)cc1C ZINC000035547765 169373046 /nfs/dbraw/zinc/37/30/46/169373046.db2.gz GEHLPDQBYIHCGF-DYVFJYSZSA-N 1 0 247.426 4.699 10 0 BJAERO CCC[C@@H](C)[C@@H]([NH2+]CC)c1c(C)cc(C)cc1C ZINC000035547769 169372135 /nfs/dbraw/zinc/37/21/35/169372135.db2.gz GEHLPDQBYIHCGF-CXAGYDPISA-N 1 0 247.426 4.699 10 0 BJAERO CC[NH2+][C@@H](CCC(C)C)c1c(C)cc(C)cc1C ZINC000035547773 170145242 /nfs/dbraw/zinc/14/52/42/170145242.db2.gz DJWCVWGSGDQVRR-INIZCTEOSA-N 1 0 247.426 4.699 10 0 BJAERO CC[NH2+][C@H](CCC(C)C)c1c(C)cc(C)cc1C ZINC000035547775 170161359 /nfs/dbraw/zinc/16/13/59/170161359.db2.gz DJWCVWGSGDQVRR-MRXNPFEDSA-N 1 0 247.426 4.699 10 0 BJAERO CC[NH2+][C@@H](CC(C)(C)C)c1c(C)cc(C)cc1C ZINC000035547847 170142940 /nfs/dbraw/zinc/14/29/40/170142940.db2.gz YSXDONXJARJGGH-HNNXBMFYSA-N 1 0 247.426 4.699 10 0 BJAERO CC[NH2+][C@H](CC(C)(C)C)c1c(C)cc(C)cc1C ZINC000035547848 170160802 /nfs/dbraw/zinc/16/08/02/170160802.db2.gz YSXDONXJARJGGH-OAHLLOKOSA-N 1 0 247.426 4.699 10 0 BJAERO CC[NH2+][C@H](c1c(C)cc(C)cc1C)C(CC)CC ZINC000035547967 170163305 /nfs/dbraw/zinc/16/33/05/170163305.db2.gz LYBGTXBLPDUXHH-KRWDZBQOSA-N 1 0 247.426 4.699 10 0 BJAERO CC[NH2+][C@@H](c1c(C)cc(C)cc1C)C(CC)CC ZINC000035547969 170145982 /nfs/dbraw/zinc/14/59/82/170145982.db2.gz LYBGTXBLPDUXHH-QGZVFWFLSA-N 1 0 247.426 4.699 10 0 BJAERO CCCCc1ccc([C@H]([NH2+]CC)[C@@H](C)CC)cc1 ZINC000035548106 169023207 /nfs/dbraw/zinc/02/32/07/169023207.db2.gz MAFVEYCSUAPNPI-WMLDXEAASA-N 1 0 247.426 4.726 10 0 BJAERO CCCCc1ccc([C@@H]([NH2+]CC)[C@@H](C)CC)cc1 ZINC000035548108 169022974 /nfs/dbraw/zinc/02/29/74/169022974.db2.gz MAFVEYCSUAPNPI-YOEHRIQHSA-N 1 0 247.426 4.726 10 0 BJAERO CCCCc1ccc([C@H]([NH2+]CC)[C@H](C)CC)cc1 ZINC000035548110 169023439 /nfs/dbraw/zinc/02/34/39/169023439.db2.gz MAFVEYCSUAPNPI-RHSMWYFYSA-N 1 0 247.426 4.726 10 0 BJAERO CCCCc1ccc([C@@H]([NH2+]CC)[C@H](C)CC)cc1 ZINC000035548112 169023406 /nfs/dbraw/zinc/02/34/06/169023406.db2.gz MAFVEYCSUAPNPI-PBHICJAKSA-N 1 0 247.426 4.726 10 0 BJAERO CCCCc1ccc([C@@H](CC(C)C)[NH2+]CC)cc1 ZINC000035548129 169022181 /nfs/dbraw/zinc/02/21/81/169022181.db2.gz CGCPFSOCCILQER-QGZVFWFLSA-N 1 0 247.426 4.726 10 0 BJAERO CCCCc1ccc([C@H](CC(C)C)[NH2+]CC)cc1 ZINC000035548131 169022779 /nfs/dbraw/zinc/02/27/79/169022779.db2.gz CGCPFSOCCILQER-KRWDZBQOSA-N 1 0 247.426 4.726 10 0 BJAERO CC[NH2+][C@H](c1ccc(C(C)(C)C)cc1)[C@H](C)CC ZINC000035548314 170163618 /nfs/dbraw/zinc/16/36/18/170163618.db2.gz SDKKOTKVNQANPO-CJNGLKHVSA-N 1 0 247.426 4.681 10 0 BJAERO CC[NH2+][C@H](c1ccc(C(C)(C)C)cc1)[C@@H](C)CC ZINC000035548316 170163021 /nfs/dbraw/zinc/16/30/21/170163021.db2.gz SDKKOTKVNQANPO-BBRMVZONSA-N 1 0 247.426 4.681 10 0 BJAERO CC[NH2+][C@@H](c1ccc(C(C)(C)C)cc1)[C@H](C)CC ZINC000035548318 170147746 /nfs/dbraw/zinc/14/77/46/170147746.db2.gz SDKKOTKVNQANPO-CZUORRHYSA-N 1 0 247.426 4.681 10 0 BJAERO CC[NH2+][C@@H](c1ccc(C(C)(C)C)cc1)[C@@H](C)CC ZINC000035548320 170147753 /nfs/dbraw/zinc/14/77/53/170147753.db2.gz SDKKOTKVNQANPO-XJKSGUPXSA-N 1 0 247.426 4.681 10 0 BJAERO CC[NH2+][C@@H](CC(C)C)c1ccc(C(C)(C)C)cc1 ZINC000035548344 170142698 /nfs/dbraw/zinc/14/26/98/170142698.db2.gz IITPNKRMKWXPAL-INIZCTEOSA-N 1 0 247.426 4.681 10 0 BJAERO CC[NH2+][C@H](CC(C)C)c1ccc(C(C)(C)C)cc1 ZINC000035548347 170161035 /nfs/dbraw/zinc/16/10/35/170161035.db2.gz IITPNKRMKWXPAL-MRXNPFEDSA-N 1 0 247.426 4.681 10 0 BJAERO CC[NH2+][C@@H](CC)c1ccc(C(C)C)cc1C(C)C ZINC000035548466 170144113 /nfs/dbraw/zinc/14/41/13/170144113.db2.gz MFUUUSMEGUQLMC-KRWDZBQOSA-N 1 0 247.426 4.994 10 0 BJAERO CC[NH2+][C@H](CC)c1ccc(C(C)C)cc1C(C)C ZINC000035548468 170161338 /nfs/dbraw/zinc/16/13/38/170161338.db2.gz MFUUUSMEGUQLMC-QGZVFWFLSA-N 1 0 247.426 4.994 10 0 BJAERO CC[NH2+][C@@H](C)c1ccc(C(C)C)cc1C(C)C ZINC000035548489 170142299 /nfs/dbraw/zinc/14/22/99/170142299.db2.gz UPHHXGGLVWDHSU-ZDUSSCGKSA-N 1 0 233.399 4.604 10 0 BJAERO CC[NH2+][C@H](C)c1ccc(C(C)C)cc1C(C)C ZINC000035548492 170159436 /nfs/dbraw/zinc/15/94/36/170159436.db2.gz UPHHXGGLVWDHSU-CYBMUJFWSA-N 1 0 233.399 4.604 10 0 BJAERO CCCc1ccc([C@@H]([NH2+]CC)[C@@H](C)CCC)cc1 ZINC000035550360 169573576 /nfs/dbraw/zinc/57/35/76/169573576.db2.gz HEBAYUYVZZOWTB-YOEHRIQHSA-N 1 0 247.426 4.726 10 0 BJAERO CCCc1ccc([C@@H](CC(C)(C)C)[NH2+]CC)cc1 ZINC000035550494 169573769 /nfs/dbraw/zinc/57/37/69/169573769.db2.gz CBZYUGIMZLWJQC-MRXNPFEDSA-N 1 0 247.426 4.726 10 0 BJAERO CC[NH2+][C@@H](CC)c1ccc(C2CCCCC2)cc1 ZINC000035550800 170144277 /nfs/dbraw/zinc/14/42/77/170144277.db2.gz DRMDBLKPAUTMKH-KRWDZBQOSA-N 1 0 245.410 4.795 10 0 BJAERO CC[NH2+][C@H](CC)c1ccc(C2CCCCC2)cc1 ZINC000035550803 170161832 /nfs/dbraw/zinc/16/18/32/170161832.db2.gz DRMDBLKPAUTMKH-QGZVFWFLSA-N 1 0 245.410 4.795 10 0 BJAERO CC[NH2+][C@H](c1csc2ccccc21)[C@H](C)CC ZINC000035555168 170165260 /nfs/dbraw/zinc/16/52/60/170165260.db2.gz HHODOYLJXKPVNW-ABAIWWIYSA-N 1 0 247.407 4.598 10 0 BJAERO CC[NH2+][C@H](c1csc2ccccc12)[C@@H](C)CC ZINC000035555170 170164658 /nfs/dbraw/zinc/16/46/58/170164658.db2.gz HHODOYLJXKPVNW-NHYWBVRUSA-N 1 0 247.407 4.598 10 0 BJAERO CC[NH2+][C@@H](c1csc2ccccc12)[C@H](C)CC ZINC000035555173 170149763 /nfs/dbraw/zinc/14/97/63/170149763.db2.gz HHODOYLJXKPVNW-IAQYHMDHSA-N 1 0 247.407 4.598 10 0 BJAERO CC[NH2+][C@@H](c1csc2ccccc12)[C@@H](C)CC ZINC000035555176 170149867 /nfs/dbraw/zinc/14/98/67/170149867.db2.gz HHODOYLJXKPVNW-XHDPSFHLSA-N 1 0 247.407 4.598 10 0 BJAERO CC[NH2+][C@@H](CC(C)C)c1csc2ccccc21 ZINC000035555241 170143786 /nfs/dbraw/zinc/14/37/86/170143786.db2.gz RPDYELNCOMKQNB-AWEZNQCLSA-N 1 0 247.407 4.598 10 0 BJAERO CC[NH2+][C@H](CC(C)C)c1csc2ccccc21 ZINC000035555244 170160779 /nfs/dbraw/zinc/16/07/79/170160779.db2.gz RPDYELNCOMKQNB-CQSZACIVSA-N 1 0 247.407 4.598 10 0 BJAERO CCCCC[C@H]([NH2+]CCC)c1ccc(C)c(C)c1 ZINC000035572786 168744888 /nfs/dbraw/zinc/74/48/88/168744888.db2.gz GWZJFZLZGIPSDK-KRWDZBQOSA-N 1 0 247.426 4.924 10 0 BJAERO CCC[NH2+][C@H](c1ccc(C)c(C)c1)[C@H](C)CCC ZINC000035572796 169289877 /nfs/dbraw/zinc/28/98/77/169289877.db2.gz GSQQBTKMJBKZQB-PBHICJAKSA-N 1 0 247.426 4.780 10 0 BJAERO CCC[NH2+][C@H](c1ccc(C)c(C)c1)[C@@H](C)CCC ZINC000035572797 169290019 /nfs/dbraw/zinc/29/00/19/169290019.db2.gz GSQQBTKMJBKZQB-YOEHRIQHSA-N 1 0 247.426 4.780 10 0 BJAERO CCC[NH2+][C@@H](c1ccc(C)c(C)c1)[C@H](C)CCC ZINC000035572798 169278863 /nfs/dbraw/zinc/27/88/63/169278863.db2.gz GSQQBTKMJBKZQB-RHSMWYFYSA-N 1 0 247.426 4.780 10 0 BJAERO CCC[NH2+][C@@H](c1ccc(C)c(C)c1)[C@@H](C)CCC ZINC000035572799 169279745 /nfs/dbraw/zinc/27/97/45/169279745.db2.gz GSQQBTKMJBKZQB-WMLDXEAASA-N 1 0 247.426 4.780 10 0 BJAERO CCC[NH2+][C@@H](CCC(C)C)c1ccc(C)c(C)c1 ZINC000035572800 169277678 /nfs/dbraw/zinc/27/76/78/169277678.db2.gz QLECJVPEXXNCSW-KRWDZBQOSA-N 1 0 247.426 4.780 10 0 BJAERO CCC[NH2+][C@H](CCC(C)C)c1ccc(C)c(C)c1 ZINC000035572801 169288938 /nfs/dbraw/zinc/28/89/38/169288938.db2.gz QLECJVPEXXNCSW-QGZVFWFLSA-N 1 0 247.426 4.780 10 0 BJAERO CCC[NH2+][C@@H](CC(C)(C)C)c1ccc(C)c(C)c1 ZINC000035572842 169277390 /nfs/dbraw/zinc/27/73/90/169277390.db2.gz SHVQPIGYIXWGRD-INIZCTEOSA-N 1 0 247.426 4.780 10 0 BJAERO CCC[NH2+][C@H](CC(C)(C)C)c1ccc(C)c(C)c1 ZINC000035572843 169287994 /nfs/dbraw/zinc/28/79/94/169287994.db2.gz SHVQPIGYIXWGRD-MRXNPFEDSA-N 1 0 247.426 4.780 10 0 BJAERO CCC[NH2+][C@@H](c1ccc(C)c(C)c1)C1CCCC1 ZINC000035572902 169278849 /nfs/dbraw/zinc/27/88/49/169278849.db2.gz XOWYLEPBHQGEMH-QGZVFWFLSA-N 1 0 245.410 4.534 10 0 BJAERO CCC[NH2+][C@H](c1ccc(C)c(C)c1)C1CCCC1 ZINC000035572903 169289661 /nfs/dbraw/zinc/28/96/61/169289661.db2.gz XOWYLEPBHQGEMH-KRWDZBQOSA-N 1 0 245.410 4.534 10 0 BJAERO CCC[NH2+][C@@H](c1ccc(C)c(C)c1)C(CC)CC ZINC000035572917 169279333 /nfs/dbraw/zinc/27/93/33/169279333.db2.gz WDKKDUDLEOJEOO-QGZVFWFLSA-N 1 0 247.426 4.780 10 0 BJAERO CCC[NH2+][C@H](c1ccc(C)c(C)c1)C(CC)CC ZINC000035572918 169290082 /nfs/dbraw/zinc/29/00/82/169290082.db2.gz WDKKDUDLEOJEOO-KRWDZBQOSA-N 1 0 247.426 4.780 10 0 BJAERO CCC[NH2+][C@@H](c1ccc(CC(C)C)cc1)C(C)C ZINC000035573323 169280818 /nfs/dbraw/zinc/28/08/18/169280818.db2.gz MJFPIJNYDUPXHG-QGZVFWFLSA-N 1 0 247.426 4.582 10 0 BJAERO CCC[NH2+][C@H](c1ccc(CC(C)C)cc1)C(C)C ZINC000035573324 169289742 /nfs/dbraw/zinc/28/97/42/169289742.db2.gz MJFPIJNYDUPXHG-KRWDZBQOSA-N 1 0 247.426 4.582 10 0 BJAERO CCCC[C@H](CC)[C@H]([NH2+]CCC)c1ccccc1 ZINC000035575734 169001510 /nfs/dbraw/zinc/00/15/10/169001510.db2.gz WVSBLCVLGAKUSA-RDJZCZTQSA-N 1 0 247.426 4.944 10 0 BJAERO CCCC[C@H](CC)[C@@H]([NH2+]CCC)c1ccccc1 ZINC000035575741 169001640 /nfs/dbraw/zinc/00/16/40/169001640.db2.gz WVSBLCVLGAKUSA-DOTOQJQBSA-N 1 0 247.426 4.944 10 0 BJAERO CCC[NH2+][C@@H](CC1CCCCC1)c1ccccc1 ZINC000035575781 169277721 /nfs/dbraw/zinc/27/77/21/169277721.db2.gz PSESYXHUNHYBKS-KRWDZBQOSA-N 1 0 245.410 4.698 10 0 BJAERO CCC[NH2+][C@H](CC1CCCCC1)c1ccccc1 ZINC000035575784 169288989 /nfs/dbraw/zinc/28/89/89/169288989.db2.gz PSESYXHUNHYBKS-QGZVFWFLSA-N 1 0 245.410 4.698 10 0 BJAERO CCC[NH2+][C@@H](CCC1CCCC1)c1ccccc1 ZINC000035575973 169278419 /nfs/dbraw/zinc/27/84/19/169278419.db2.gz PLLDGHZZEGYQNA-KRWDZBQOSA-N 1 0 245.410 4.698 10 0 BJAERO CCC[NH2+][C@H](CCC1CCCC1)c1ccccc1 ZINC000035575976 169288998 /nfs/dbraw/zinc/28/89/98/169288998.db2.gz PLLDGHZZEGYQNA-QGZVFWFLSA-N 1 0 245.410 4.698 10 0 BJAERO CCC[NH2+][C@@H](c1ccc(C)cc1)C1CCCCC1 ZINC000035577209 169279560 /nfs/dbraw/zinc/27/95/60/169279560.db2.gz NMLJKKSNJFAIJD-QGZVFWFLSA-N 1 0 245.410 4.616 10 0 BJAERO CCC[NH2+][C@H](c1ccc(C)cc1)C1CCCCC1 ZINC000035577211 169290195 /nfs/dbraw/zinc/29/01/95/169290195.db2.gz NMLJKKSNJFAIJD-KRWDZBQOSA-N 1 0 245.410 4.616 10 0 BJAERO CCCCC[C@H]([NH2+]CCC)c1ccc(C)cc1C ZINC000035579503 168744990 /nfs/dbraw/zinc/74/49/90/168744990.db2.gz YCYQXEZXHVIZEW-KRWDZBQOSA-N 1 0 247.426 4.924 10 0 BJAERO CCC[NH2+][C@H](c1ccc(C)cc1C)[C@H](C)CCC ZINC000035579522 169289955 /nfs/dbraw/zinc/28/99/55/169289955.db2.gz FQIAHWCWQSVCFD-PBHICJAKSA-N 1 0 247.426 4.780 10 0 BJAERO CCC[NH2+][C@H](c1ccc(C)cc1C)[C@@H](C)CCC ZINC000035579523 169289693 /nfs/dbraw/zinc/28/96/93/169289693.db2.gz FQIAHWCWQSVCFD-YOEHRIQHSA-N 1 0 247.426 4.780 10 0 BJAERO CCC[NH2+][C@@H](c1ccc(C)cc1C)[C@H](C)CCC ZINC000035579525 169279381 /nfs/dbraw/zinc/27/93/81/169279381.db2.gz FQIAHWCWQSVCFD-RHSMWYFYSA-N 1 0 247.426 4.780 10 0 BJAERO CCC[NH2+][C@@H](c1ccc(C)cc1C)[C@@H](C)CCC ZINC000035579527 169278848 /nfs/dbraw/zinc/27/88/48/169278848.db2.gz FQIAHWCWQSVCFD-WMLDXEAASA-N 1 0 247.426 4.780 10 0 BJAERO CCC[NH2+][C@@H](CCC(C)C)c1ccc(C)cc1C ZINC000035579529 169277672 /nfs/dbraw/zinc/27/76/72/169277672.db2.gz WVWTUOXKIRQGJR-KRWDZBQOSA-N 1 0 247.426 4.780 10 0 BJAERO CCC[NH2+][C@H](CCC(C)C)c1ccc(C)cc1C ZINC000035579531 169289435 /nfs/dbraw/zinc/28/94/35/169289435.db2.gz WVWTUOXKIRQGJR-QGZVFWFLSA-N 1 0 247.426 4.780 10 0 BJAERO CCC[NH2+][C@@H](CC(C)(C)C)c1ccc(C)cc1C ZINC000035579609 169277173 /nfs/dbraw/zinc/27/71/73/169277173.db2.gz OOHMYDDJXAKKNG-INIZCTEOSA-N 1 0 247.426 4.780 10 0 BJAERO CCC[NH2+][C@H](CC(C)(C)C)c1ccc(C)cc1C ZINC000035579612 169288353 /nfs/dbraw/zinc/28/83/53/169288353.db2.gz OOHMYDDJXAKKNG-MRXNPFEDSA-N 1 0 247.426 4.780 10 0 BJAERO CCC[NH2+][C@@H](c1ccc(C)cc1C)C1CCCC1 ZINC000035579711 169279496 /nfs/dbraw/zinc/27/94/96/169279496.db2.gz ABKFOQPCPKKGFI-QGZVFWFLSA-N 1 0 245.410 4.534 10 0 BJAERO CCC[NH2+][C@H](c1ccc(C)cc1C)C1CCCC1 ZINC000035579713 169289949 /nfs/dbraw/zinc/28/99/49/169289949.db2.gz ABKFOQPCPKKGFI-KRWDZBQOSA-N 1 0 245.410 4.534 10 0 BJAERO CCC[NH2+][C@@H](c1ccc(C)cc1C)C(CC)CC ZINC000035579736 169278843 /nfs/dbraw/zinc/27/88/43/169278843.db2.gz IKBFIZJZHWQPGT-QGZVFWFLSA-N 1 0 247.426 4.780 10 0 BJAERO CCC[NH2+][C@H](c1ccc(C)cc1C)C(CC)CC ZINC000035579738 169289964 /nfs/dbraw/zinc/28/99/64/169289964.db2.gz IKBFIZJZHWQPGT-KRWDZBQOSA-N 1 0 247.426 4.780 10 0 BJAERO CCC[NH2+][C@@H](c1ccc([C@@H](C)CC)cc1)C(C)C ZINC000035580579 169280696 /nfs/dbraw/zinc/28/06/96/169280696.db2.gz HYCKQHGXEKDFPY-WMLDXEAASA-N 1 0 247.426 4.897 10 0 BJAERO CCC[NH2+][C@H](c1ccc([C@@H](C)CC)cc1)C(C)C ZINC000035580581 169289783 /nfs/dbraw/zinc/28/97/83/169289783.db2.gz HYCKQHGXEKDFPY-YOEHRIQHSA-N 1 0 247.426 4.897 10 0 BJAERO CCC[NH2+][C@@H](c1ccc([C@H](C)CC)cc1)C(C)C ZINC000035580582 169280268 /nfs/dbraw/zinc/28/02/68/169280268.db2.gz HYCKQHGXEKDFPY-RHSMWYFYSA-N 1 0 247.426 4.897 10 0 BJAERO CCC[NH2+][C@H](c1ccc([C@H](C)CC)cc1)C(C)C ZINC000035580584 169290030 /nfs/dbraw/zinc/29/00/30/169290030.db2.gz HYCKQHGXEKDFPY-PBHICJAKSA-N 1 0 247.426 4.897 10 0 BJAERO CCC[NH2+][C@@H](c1ccc([C@@H](C)CC)cc1)C1CC1 ZINC000035580673 169280903 /nfs/dbraw/zinc/28/09/03/169280903.db2.gz SDYLGGWTZFZQJX-GUYCJALGSA-N 1 0 245.410 4.651 10 0 BJAERO CCC[NH2+][C@H](c1ccc([C@@H](C)CC)cc1)C1CC1 ZINC000035580675 169289562 /nfs/dbraw/zinc/28/95/62/169289562.db2.gz SDYLGGWTZFZQJX-SUMWQHHRSA-N 1 0 245.410 4.651 10 0 BJAERO CCC[NH2+][C@@H](c1ccc([C@H](C)CC)cc1)C1CC1 ZINC000035580677 169280998 /nfs/dbraw/zinc/28/09/98/169280998.db2.gz SDYLGGWTZFZQJX-DYVFJYSZSA-N 1 0 245.410 4.651 10 0 BJAERO CCC[NH2+][C@H](c1ccc([C@H](C)CC)cc1)C1CC1 ZINC000035580679 169289729 /nfs/dbraw/zinc/28/97/29/169289729.db2.gz SDYLGGWTZFZQJX-CXAGYDPISA-N 1 0 245.410 4.651 10 0 BJAERO CCC[NH2+][C@H](c1cc(C)ccc1C)[C@H](C)CCC ZINC000035581595 169289598 /nfs/dbraw/zinc/28/95/98/169289598.db2.gz XKOYXLXSSQXGQC-WBVHZDCISA-N 1 0 247.426 4.780 10 0 BJAERO CCC[NH2+][C@H](c1cc(C)ccc1C)[C@@H](C)CCC ZINC000035581596 169290165 /nfs/dbraw/zinc/29/01/65/169290165.db2.gz XKOYXLXSSQXGQC-RDJZCZTQSA-N 1 0 247.426 4.780 10 0 BJAERO CCC[NH2+][C@@H](c1cc(C)ccc1C)[C@H](C)CCC ZINC000035581597 169278837 /nfs/dbraw/zinc/27/88/37/169278837.db2.gz XKOYXLXSSQXGQC-NVXWUHKLSA-N 1 0 247.426 4.780 10 0 BJAERO CCC[NH2+][C@@H](c1cc(C)ccc1C)[C@@H](C)CCC ZINC000035581598 169278981 /nfs/dbraw/zinc/27/89/81/169278981.db2.gz XKOYXLXSSQXGQC-DOTOQJQBSA-N 1 0 247.426 4.780 10 0 BJAERO CCC[NH2+][C@@H](CCC(C)C)c1cc(C)ccc1C ZINC000035581599 169277868 /nfs/dbraw/zinc/27/78/68/169277868.db2.gz XBJAWRDKDBIHIT-KRWDZBQOSA-N 1 0 247.426 4.780 10 0 BJAERO CCC[NH2+][C@H](CCC(C)C)c1cc(C)ccc1C ZINC000035581600 169289183 /nfs/dbraw/zinc/28/91/83/169289183.db2.gz XBJAWRDKDBIHIT-QGZVFWFLSA-N 1 0 247.426 4.780 10 0 BJAERO CCC[NH2+][C@@H](CC(C)(C)C)c1cc(C)ccc1C ZINC000035581642 169277364 /nfs/dbraw/zinc/27/73/64/169277364.db2.gz URNLTZKIIJZZPI-INIZCTEOSA-N 1 0 247.426 4.780 10 0 BJAERO CCC[NH2+][C@H](CC(C)(C)C)c1cc(C)ccc1C ZINC000035581643 169288298 /nfs/dbraw/zinc/28/82/98/169288298.db2.gz URNLTZKIIJZZPI-MRXNPFEDSA-N 1 0 247.426 4.780 10 0 BJAERO CCC[NH2+][C@@H](c1cc(C)ccc1C)C1CCCC1 ZINC000035581692 169279713 /nfs/dbraw/zinc/27/97/13/169279713.db2.gz BWUDTLIJBAWWBU-QGZVFWFLSA-N 1 0 245.410 4.534 10 0 BJAERO CCC[NH2+][C@H](c1cc(C)ccc1C)C1CCCC1 ZINC000035581693 169289567 /nfs/dbraw/zinc/28/95/67/169289567.db2.gz BWUDTLIJBAWWBU-KRWDZBQOSA-N 1 0 245.410 4.534 10 0 BJAERO CCC[NH2+][C@@H](c1cc(C)ccc1C)C(CC)CC ZINC000035581704 169279459 /nfs/dbraw/zinc/27/94/59/169279459.db2.gz CJRZHOLXMRQLKB-QGZVFWFLSA-N 1 0 247.426 4.780 10 0 BJAERO CCC[NH2+][C@H](c1cc(C)ccc1C)C(CC)CC ZINC000035581705 169289723 /nfs/dbraw/zinc/28/97/23/169289723.db2.gz CJRZHOLXMRQLKB-KRWDZBQOSA-N 1 0 247.426 4.780 10 0 BJAERO CCC[NH2+][C@@H](c1c(C)c(C)cc(C)c1C)C(C)C ZINC000035581822 169279406 /nfs/dbraw/zinc/27/94/06/169279406.db2.gz RCFLMJVZFVWROZ-QGZVFWFLSA-N 1 0 247.426 4.617 10 0 BJAERO CCC[NH2+][C@H](c1c(C)c(C)cc(C)c1C)C(C)C ZINC000035581823 169289753 /nfs/dbraw/zinc/28/97/53/169289753.db2.gz RCFLMJVZFVWROZ-KRWDZBQOSA-N 1 0 247.426 4.617 10 0 BJAERO CCC[NH2+][C@@H](c1c(C)cc(C)cc1C)[C@@H](C)CC ZINC000035582115 169279584 /nfs/dbraw/zinc/27/95/84/169279584.db2.gz WGAMCQMQQFABKO-SUMWQHHRSA-N 1 0 247.426 4.699 10 0 BJAERO CCC[NH2+][C@H](c1c(C)cc(C)cc1C)[C@@H](C)CC ZINC000035582116 169289972 /nfs/dbraw/zinc/28/99/72/169289972.db2.gz WGAMCQMQQFABKO-GUYCJALGSA-N 1 0 247.426 4.699 10 0 BJAERO CCC[NH2+][C@@H](c1c(C)cc(C)cc1C)[C@H](C)CC ZINC000035582117 169279036 /nfs/dbraw/zinc/27/90/36/169279036.db2.gz WGAMCQMQQFABKO-CXAGYDPISA-N 1 0 247.426 4.699 10 0 BJAERO CCC[NH2+][C@H](c1c(C)cc(C)cc1C)[C@H](C)CC ZINC000035582118 169290000 /nfs/dbraw/zinc/29/00/00/169290000.db2.gz WGAMCQMQQFABKO-DYVFJYSZSA-N 1 0 247.426 4.699 10 0 BJAERO CCC[NH2+][C@@H](CC(C)C)c1c(C)cc(C)cc1C ZINC000035582129 169276777 /nfs/dbraw/zinc/27/67/77/169276777.db2.gz PPMZWQCJOJXBLE-INIZCTEOSA-N 1 0 247.426 4.699 10 0 BJAERO CCC[NH2+][C@H](CC(C)C)c1c(C)cc(C)cc1C ZINC000035582130 169287951 /nfs/dbraw/zinc/28/79/51/169287951.db2.gz PPMZWQCJOJXBLE-MRXNPFEDSA-N 1 0 247.426 4.699 10 0 BJAERO CCC[NH2+][C@@H](C)c1ccc(C(C)C)cc1C(C)C ZINC000035582322 169275965 /nfs/dbraw/zinc/27/59/65/169275965.db2.gz SWJUGWVODFIPDY-AWEZNQCLSA-N 1 0 247.426 4.994 10 0 BJAERO CCC[NH2+][C@H](C)c1ccc(C(C)C)cc1C(C)C ZINC000035582324 169286713 /nfs/dbraw/zinc/28/67/13/169286713.db2.gz SWJUGWVODFIPDY-CQSZACIVSA-N 1 0 247.426 4.994 10 0 BJAERO CCC[NH2+][C@H](c1ccc(CC)cc1)[C@H](C)CCC ZINC000035582589 169289912 /nfs/dbraw/zinc/28/99/12/169289912.db2.gz DWFUDXLEWMZGFC-PBHICJAKSA-N 1 0 247.426 4.726 10 0 BJAERO CCC[NH2+][C@H](c1ccc(CC)cc1)[C@@H](C)CCC ZINC000035582590 169290062 /nfs/dbraw/zinc/29/00/62/169290062.db2.gz DWFUDXLEWMZGFC-YOEHRIQHSA-N 1 0 247.426 4.726 10 0 BJAERO CCC[NH2+][C@@H](c1ccc(CC)cc1)[C@H](C)CCC ZINC000035582591 169280422 /nfs/dbraw/zinc/28/04/22/169280422.db2.gz DWFUDXLEWMZGFC-RHSMWYFYSA-N 1 0 247.426 4.726 10 0 BJAERO CCC[NH2+][C@@H](c1ccc(CC)cc1)[C@@H](C)CCC ZINC000035582592 169280208 /nfs/dbraw/zinc/28/02/08/169280208.db2.gz DWFUDXLEWMZGFC-WMLDXEAASA-N 1 0 247.426 4.726 10 0 BJAERO CCC[NH2+][C@@H](CCC(C)C)c1ccc(CC)cc1 ZINC000035582593 169278543 /nfs/dbraw/zinc/27/85/43/169278543.db2.gz UZDASWPIYFYSAM-KRWDZBQOSA-N 1 0 247.426 4.726 10 0 BJAERO CCC[NH2+][C@H](CCC(C)C)c1ccc(CC)cc1 ZINC000035582594 169288941 /nfs/dbraw/zinc/28/89/41/169288941.db2.gz UZDASWPIYFYSAM-QGZVFWFLSA-N 1 0 247.426 4.726 10 0 BJAERO CCC[NH2+][C@@H](CC(C)(C)C)c1ccc(CC)cc1 ZINC000035582628 169277121 /nfs/dbraw/zinc/27/71/21/169277121.db2.gz WKTAHHSHQYJGLW-INIZCTEOSA-N 1 0 247.426 4.726 10 0 BJAERO CCC[NH2+][C@H](CC(C)(C)C)c1ccc(CC)cc1 ZINC000035582629 169288181 /nfs/dbraw/zinc/28/81/81/169288181.db2.gz WKTAHHSHQYJGLW-MRXNPFEDSA-N 1 0 247.426 4.726 10 0 BJAERO CCC[NH2+][C@@H](c1ccc(CC)cc1)C(CC)CC ZINC000035582690 169280518 /nfs/dbraw/zinc/28/05/18/169280518.db2.gz YKVOHNRNHNZSHF-QGZVFWFLSA-N 1 0 247.426 4.726 10 0 BJAERO CCC[NH2+][C@H](c1ccc(CC)cc1)C(CC)CC ZINC000035582691 169289879 /nfs/dbraw/zinc/28/98/79/169289879.db2.gz YKVOHNRNHNZSHF-KRWDZBQOSA-N 1 0 247.426 4.726 10 0 BJAERO CCC[NH2+][C@@H](c1ccc(CCC)cc1)[C@@H](C)CC ZINC000035582846 169280480 /nfs/dbraw/zinc/28/04/80/169280480.db2.gz VRNXYGRZYPOFKH-WMLDXEAASA-N 1 0 247.426 4.726 10 0 BJAERO CCC[NH2+][C@H](c1ccc(CCC)cc1)[C@@H](C)CC ZINC000035582847 169290080 /nfs/dbraw/zinc/29/00/80/169290080.db2.gz VRNXYGRZYPOFKH-YOEHRIQHSA-N 1 0 247.426 4.726 10 0 BJAERO CCC[NH2+][C@@H](c1ccc(CCC)cc1)[C@H](C)CC ZINC000035582848 169280657 /nfs/dbraw/zinc/28/06/57/169280657.db2.gz VRNXYGRZYPOFKH-RHSMWYFYSA-N 1 0 247.426 4.726 10 0 BJAERO CCC[NH2+][C@H](c1ccc(CCC)cc1)[C@H](C)CC ZINC000035582849 169289861 /nfs/dbraw/zinc/28/98/61/169289861.db2.gz VRNXYGRZYPOFKH-PBHICJAKSA-N 1 0 247.426 4.726 10 0 BJAERO CCC[NH2+][C@H](CC(C)C)c1ccc(CCC)cc1 ZINC000035582858 169288484 /nfs/dbraw/zinc/28/84/84/169288484.db2.gz QZEJCVBIPKZWLG-QGZVFWFLSA-N 1 0 247.426 4.726 10 0 BJAERO CCC[NH2+][C@@H](CC(C)C)c1ccc(CCC)cc1 ZINC000035582859 169277495 /nfs/dbraw/zinc/27/74/95/169277495.db2.gz QZEJCVBIPKZWLG-KRWDZBQOSA-N 1 0 247.426 4.726 10 0 BJAERO CCC[NH2+][C@@H](C)c1ccc(C2CCCCC2)cc1 ZINC000035582909 169276366 /nfs/dbraw/zinc/27/63/66/169276366.db2.gz GRPGQKSWUKFCSE-AWEZNQCLSA-N 1 0 245.410 4.795 10 0 BJAERO CCC[NH2+][C@H](C)c1ccc(C2CCCCC2)cc1 ZINC000035582910 169286676 /nfs/dbraw/zinc/28/66/76/169286676.db2.gz GRPGQKSWUKFCSE-CQSZACIVSA-N 1 0 245.410 4.795 10 0 BJAERO CCC[NH2+][C@@H](c1csc2ccccc21)C(C)C ZINC000035583996 169280155 /nfs/dbraw/zinc/28/01/55/169280155.db2.gz OVNAIPFDVWUEMU-OAHLLOKOSA-N 1 0 247.407 4.598 10 0 BJAERO CCC[NH2+][C@H](c1csc2ccccc21)C(C)C ZINC000035583997 169290944 /nfs/dbraw/zinc/29/09/44/169290944.db2.gz OVNAIPFDVWUEMU-HNNXBMFYSA-N 1 0 247.407 4.598 10 0 BJAERO CCCCC[C@H](C)[NH2+][C@@H](C)c1cc(C)ccc1C ZINC000036792113 168743803 /nfs/dbraw/zinc/74/38/03/168743803.db2.gz ZGXQSOYZRVCHDY-HOTGVXAUSA-N 1 0 247.426 4.923 10 0 BJAERO CCCCC[C@H](C)[NH2+][C@H](C)c1ccc(CC)cc1 ZINC000036792261 168744314 /nfs/dbraw/zinc/74/43/14/168744314.db2.gz GDJHOWZFMGHLAL-LSDHHAIUSA-N 1 0 247.426 4.868 10 0 BJAERO CCCCC[C@H](C)[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000036792341 168744434 /nfs/dbraw/zinc/74/44/34/168744434.db2.gz QQIDZNHITNBKJW-GJZGRUSLSA-N 1 0 233.399 4.614 10 0 BJAERO CCCCC[C@H](C)[NH2+][C@H](C)c1ccc(C)cc1 ZINC000036792343 168743964 /nfs/dbraw/zinc/74/39/64/168743964.db2.gz QQIDZNHITNBKJW-LSDHHAIUSA-N 1 0 233.399 4.614 10 0 BJAERO CCCCC[C@H](C)[NH2+][C@H](C)c1ccc(C)cc1C ZINC000036792369 168744185 /nfs/dbraw/zinc/74/41/85/168744185.db2.gz VCWLGHWVASOMOM-JKSUJKDBSA-N 1 0 247.426 4.923 10 0 BJAERO Cc1ccc(C)c([C@@H](C)[NH2+][C@H]2CCCC[C@@H]2C)c1 ZINC000036862390 178495110 /nfs/dbraw/zinc/49/51/10/178495110.db2.gz FSMHKHJMVWMIPA-UXLLHSPISA-N 1 0 245.410 4.533 10 0 BJAERO CC[C@H](C)[C@@H](C)[NH2+][C@@H](CC(C)C)c1ccccc1 ZINC000037042761 171366690 /nfs/dbraw/zinc/36/66/90/171366690.db2.gz GZRSFOUFRNJXRX-UXLLHSPISA-N 1 0 247.426 4.798 10 0 BJAERO CC[C@H](C)[C@H](C)[NH2+][C@@H](CC(C)C)c1ccccc1 ZINC000037042763 171390590 /nfs/dbraw/zinc/39/05/90/171390590.db2.gz GZRSFOUFRNJXRX-ZOBUZTSGSA-N 1 0 247.426 4.798 10 0 BJAERO CCC(CC)[NH2+][C@@H](C)c1oc2ccccc2c1C ZINC000037186947 168391836 /nfs/dbraw/zinc/39/18/36/168391836.db2.gz ONJOMODCISVFBO-LBPRGKRZSA-N 1 0 245.366 4.580 10 0 BJAERO CCC(CC)[NH2+][C@H](C)c1oc2ccccc2c1C ZINC000037186948 168392793 /nfs/dbraw/zinc/39/27/93/168392793.db2.gz ONJOMODCISVFBO-GFCCVEGCSA-N 1 0 245.366 4.580 10 0 BJAERO CCCC[C@H]([NH2+]C(CC)CC)c1ccccc1 ZINC000037186986 169011297 /nfs/dbraw/zinc/01/12/97/169011297.db2.gz HYQOEFMCMFDGEE-INIZCTEOSA-N 1 0 233.399 4.696 10 0 BJAERO CCCC[C@@H]([NH2+]C(CC)CC)c1ccccc1 ZINC000037186987 168972754 /nfs/dbraw/zinc/97/27/54/168972754.db2.gz HYQOEFMCMFDGEE-MRXNPFEDSA-N 1 0 233.399 4.696 10 0 BJAERO CCC[C@H]([NH2+][C@@H]1CCC[C@H](C)C1)c1ccccc1 ZINC000037249085 169512793 /nfs/dbraw/zinc/51/27/93/169512793.db2.gz INDTZGVJOJSOOG-UAGQMJEPSA-N 1 0 245.410 4.696 10 0 BJAERO CCC[C@H]([NH2+][C@H]1CCC[C@H](C)C1)c1ccccc1 ZINC000037249089 169513350 /nfs/dbraw/zinc/51/33/50/169513350.db2.gz INDTZGVJOJSOOG-XIRDDKMYSA-N 1 0 245.410 4.696 10 0 BJAERO CC(C)C[C@H]([NH2+]CC1CCCC1)c1ccccc1 ZINC000037257934 187769222 /nfs/dbraw/zinc/76/92/22/187769222.db2.gz ULJCLCHGYFXEIC-KRWDZBQOSA-N 1 0 245.410 4.554 10 0 BJAERO CC(C)C[C@@H]([NH2+]CC1CCCC1)c1ccccc1 ZINC000037257936 187423768 /nfs/dbraw/zinc/42/37/68/187423768.db2.gz ULJCLCHGYFXEIC-QGZVFWFLSA-N 1 0 245.410 4.554 10 0 BJAERO CCCCC[C@H]([NH3+])c1ccc(Cl)c(Cl)c1 ZINC000037377828 363385531 /nfs/dbraw/zinc/38/55/31/363385531.db2.gz HZXGPGILFHZSDL-LBPRGKRZSA-N 1 0 246.181 4.574 10 0 BJAERO CCCCC[C@@H]([NH3+])c1ccc(Cl)c(Cl)c1 ZINC000037377829 363385588 /nfs/dbraw/zinc/38/55/88/363385588.db2.gz HZXGPGILFHZSDL-GFCCVEGCSA-N 1 0 246.181 4.574 10 0 BJAERO CCCCC[C@H]([NH3+])c1cc(Cl)ccc1Cl ZINC000037378527 363483903 /nfs/dbraw/zinc/48/39/03/363483903.db2.gz PTCBBXXJCPFCMT-LBPRGKRZSA-N 1 0 246.181 4.574 10 0 BJAERO CCCCC[C@@H]([NH3+])c1cc(Cl)ccc1Cl ZINC000037378530 363483864 /nfs/dbraw/zinc/48/38/64/363483864.db2.gz PTCBBXXJCPFCMT-GFCCVEGCSA-N 1 0 246.181 4.574 10 0 BJAERO CCC[NH2+][C@@H](c1ccc(C(C)C)cc1)C(C)(C)C ZINC000037506491 169279398 /nfs/dbraw/zinc/27/93/98/169279398.db2.gz GWXGTSOOMDYFEM-INIZCTEOSA-N 1 0 247.426 4.897 10 0 BJAERO CCC[NH2+][C@H](c1ccc(C(C)C)cc1)C(C)(C)C ZINC000037506492 169289827 /nfs/dbraw/zinc/28/98/27/169289827.db2.gz GWXGTSOOMDYFEM-MRXNPFEDSA-N 1 0 247.426 4.897 10 0 BJAERO CC(C)C[C@@H]([NH2+][C@@H](C)C1(C)CC1)c1ccccc1 ZINC000037508925 188114175 /nfs/dbraw/zinc/11/41/75/188114175.db2.gz IBKJUBRHXFIYIU-GOEBONIOSA-N 1 0 245.410 4.552 10 0 BJAERO CC(C)CCC[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000038093457 166817788 /nfs/dbraw/zinc/81/77/88/166817788.db2.gz GWLKHAVVQOVNBN-CYBMUJFWSA-N 1 0 245.366 4.520 10 0 BJAERO CCCCC[C@H]([NH3+])c1ccc(Cl)cc1Cl ZINC000040933806 373935334 /nfs/dbraw/zinc/93/53/34/373935334.db2.gz YUELQTFUJYFQIO-LBPRGKRZSA-N 1 0 246.181 4.574 10 0 BJAERO CCCCC[C@@H]([NH3+])c1ccc(Cl)cc1Cl ZINC000040933808 373936183 /nfs/dbraw/zinc/93/61/83/373936183.db2.gz YUELQTFUJYFQIO-GFCCVEGCSA-N 1 0 246.181 4.574 10 0 BJAERO Cc1cccc(Nc2cc[nH+]c3ccc(C)cc23)c1 ZINC000041054765 179159603 /nfs/dbraw/zinc/15/96/03/179159603.db2.gz RJJSCFGOMAWYKE-UHFFFAOYSA-N 1 0 248.329 4.595 10 0 BJAERO CCC[C@H]([NH2+][C@@H](C)c1ccco1)c1cccs1 ZINC000049541055 169512753 /nfs/dbraw/zinc/51/27/53/169512753.db2.gz XKENULSTLHZSIZ-RYUDHWBXSA-N 1 0 249.379 4.533 10 0 BJAERO CCC[C@@H]([NH2+][C@H](C)c1ccco1)c1cccs1 ZINC000049541058 169402845 /nfs/dbraw/zinc/40/28/45/169402845.db2.gz XKENULSTLHZSIZ-VXGBXAGGSA-N 1 0 249.379 4.533 10 0 BJAERO CCC[C@H]([NH2+]C[C@@H]1CC=CCC1)c1cccs1 ZINC000049541293 169511158 /nfs/dbraw/zinc/51/11/58/169511158.db2.gz NZXPBJWVWZFYGT-KGLIPLIRSA-N 1 0 249.423 4.535 10 0 BJAERO CCC[C@@H]([NH2+]C[C@@H]1CC=CCC1)c1cccs1 ZINC000049541294 169401176 /nfs/dbraw/zinc/40/11/76/169401176.db2.gz NZXPBJWVWZFYGT-ZIAGYGMSSA-N 1 0 249.423 4.535 10 0 BJAERO CCC[NH2+][C@@H](c1sccc1C)C1=CCCCC1 ZINC000050326739 169288377 /nfs/dbraw/zinc/28/83/77/169288377.db2.gz FIUGENMWNRPYDJ-CQSZACIVSA-N 1 0 249.423 4.598 10 0 BJAERO CCC[NH2+][C@H](c1sccc1C)C1=CCCCC1 ZINC000050326740 169277109 /nfs/dbraw/zinc/27/71/09/169277109.db2.gz FIUGENMWNRPYDJ-AWEZNQCLSA-N 1 0 249.423 4.598 10 0 BJAERO CC[NH2+][C@@H](c1sccc1C)C1=CCCCCC1 ZINC000050328558 170161005 /nfs/dbraw/zinc/16/10/05/170161005.db2.gz FBINFXRKUPCHCP-CQSZACIVSA-N 1 0 249.423 4.598 10 0 BJAERO CC[NH2+][C@H](c1sccc1C)C1=CCCCCC1 ZINC000050328559 170143185 /nfs/dbraw/zinc/14/31/85/170143185.db2.gz FBINFXRKUPCHCP-AWEZNQCLSA-N 1 0 249.423 4.598 10 0 BJAERO CCC[NH2+][C@@H](c1occc1C)C1=CCCCCC1 ZINC000050328678 169288237 /nfs/dbraw/zinc/28/82/37/169288237.db2.gz TVFQYQPGYKJVCF-OAHLLOKOSA-N 1 0 247.382 4.519 10 0 BJAERO CCC[NH2+][C@H](c1occc1C)C1=CCCCCC1 ZINC000050328679 169277000 /nfs/dbraw/zinc/27/70/00/169277000.db2.gz TVFQYQPGYKJVCF-HNNXBMFYSA-N 1 0 247.382 4.519 10 0 BJAERO CCC[NH2+][C@@H](c1ccc(C)o1)C1=CCCCCC1 ZINC000050328686 169287909 /nfs/dbraw/zinc/28/79/09/169287909.db2.gz TWSDQELTYMWTPO-MRXNPFEDSA-N 1 0 247.382 4.519 10 0 BJAERO CCC[NH2+][C@H](c1ccc(C)o1)C1=CCCCCC1 ZINC000050328687 169276736 /nfs/dbraw/zinc/27/67/36/169276736.db2.gz TWSDQELTYMWTPO-INIZCTEOSA-N 1 0 247.382 4.519 10 0 BJAERO CC[C@H]([NH2+][C@H](C)c1ccc(C)o1)C1CCCCC1 ZINC000052334858 171545341 /nfs/dbraw/zinc/54/53/41/171545341.db2.gz BHAVASBGOLXPGE-HIFRSBDPSA-N 1 0 249.398 4.598 10 0 BJAERO CC[C@@H]([NH2+][C@@H](C)CCCC(C)C)c1ccco1 ZINC000054083417 170907090 /nfs/dbraw/zinc/90/70/90/170907090.db2.gz UYJHFEQLZQHIOE-UONOGXRCSA-N 1 0 237.387 4.535 10 0 BJAERO CC[C@H](C)C[C@H]([NH2+]C)c1cccc2ccccc21 ZINC000054439195 171299319 /nfs/dbraw/zinc/29/93/19/171299319.db2.gz PHWDOIVEMUYAHO-GUYCJALGSA-N 1 0 241.378 4.537 10 0 BJAERO CC[C@H](C)C[C@@H]([NH2+]C)c1cccc2ccccc21 ZINC000054439200 171296119 /nfs/dbraw/zinc/29/61/19/171296119.db2.gz PHWDOIVEMUYAHO-SUMWQHHRSA-N 1 0 241.378 4.537 10 0 BJAERO CC[NH2+][C@@H](c1ccc2ccccc2c1)C(C)(C)C ZINC000054441168 170148590 /nfs/dbraw/zinc/14/85/90/170148590.db2.gz KSKXHJXZMFYTCH-INIZCTEOSA-N 1 0 241.378 4.537 10 0 BJAERO CC[NH2+][C@H](c1ccc2ccccc2c1)C(C)(C)C ZINC000054441171 170164020 /nfs/dbraw/zinc/16/40/20/170164020.db2.gz KSKXHJXZMFYTCH-MRXNPFEDSA-N 1 0 241.378 4.537 10 0 BJAERO CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1CC ZINC000057218544 171612498 /nfs/dbraw/zinc/61/24/98/171612498.db2.gz CXWYZNJUCCUIRB-SYMSYNOKSA-N 1 0 237.431 4.514 10 0 BJAERO CC[C@H]1CCCC[C@H]1[NH2+][C@H]1CCCC[C@@H]1CC ZINC000057218545 384930938 /nfs/dbraw/zinc/93/09/38/384930938.db2.gz CXWYZNJUCCUIRB-YHUYYLMFSA-N 1 0 237.431 4.514 10 0 BJAERO CC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCC[C@@H]1CC ZINC000057218546 384932073 /nfs/dbraw/zinc/93/20/73/384932073.db2.gz CXWYZNJUCCUIRB-QKPAOTATSA-N 1 0 237.431 4.514 10 0 BJAERO CC[C@H]1CCCC[C@H]1[NH2+][C@@H]1CCCC[C@@H]1CC ZINC000057218547 171611849 /nfs/dbraw/zinc/61/18/49/171611849.db2.gz CXWYZNJUCCUIRB-CAOSSQGBSA-N 1 0 237.431 4.514 10 0 BJAERO C1CCCCCCC[NH2+]CCCCCCC1 ZINC000062722024 188302877 /nfs/dbraw/zinc/30/28/77/188302877.db2.gz PWFBKQRZKAMJAX-UHFFFAOYSA-N 1 0 225.420 4.661 10 0 BJAERO CCC[NH2+][C@@H](c1cc2ccccc2o1)C(C)(C)C ZINC000062797983 169278880 /nfs/dbraw/zinc/27/88/80/169278880.db2.gz LVYONNJXURSSAT-HNNXBMFYSA-N 1 0 245.366 4.520 10 0 BJAERO CCC[NH2+][C@H](c1cc2ccccc2o1)C(C)(C)C ZINC000062797984 169290173 /nfs/dbraw/zinc/29/01/73/169290173.db2.gz LVYONNJXURSSAT-OAHLLOKOSA-N 1 0 245.366 4.520 10 0 BJAERO CCCCc1ccc(NC(=[NH2+])C2CCCC2)cc1 ZINC000062990250 169020121 /nfs/dbraw/zinc/02/01/21/169020121.db2.gz ZREVOTXMNNRVAG-UHFFFAOYSA-N 1 0 244.382 4.609 10 0 BJAERO CCCC[C@@](CC)(CCC(C)C)C[NH2+]CC ZINC000071127923 168977278 /nfs/dbraw/zinc/97/72/78/168977278.db2.gz FHLOAZVPWNUKCP-HNNXBMFYSA-N 1 0 227.436 4.619 10 0 BJAERO CCCC[C@](CC)(CCC(C)C)C[NH2+]CC ZINC000071127925 169015148 /nfs/dbraw/zinc/01/51/48/169015148.db2.gz FHLOAZVPWNUKCP-OAHLLOKOSA-N 1 0 227.436 4.619 10 0 BJAERO CCCCCCC(CC)(CC)C[NH2+]C(C)C ZINC000071128053 168647631 /nfs/dbraw/zinc/64/76/31/168647631.db2.gz SOOXMCKXKLZSMW-UHFFFAOYSA-N 1 0 227.436 4.761 10 0 BJAERO CC(C)(C)[PH+](C1C=CC=C1)C(C)(C)C ZINC000071789855 398331302 /nfs/dbraw/zinc/33/13/02/398331302.db2.gz OINOJQGBSYTFFO-UHFFFAOYSA-N 1 0 210.301 4.560 10 0 BJAERO CC[C@H](C)c1ccc([C@@H](CC[NH3+])C(C)(C)C)cc1 ZINC000076633225 171411756 /nfs/dbraw/zinc/41/17/56/171411756.db2.gz BQTYJOFJLJULHG-XJKSGUPXSA-N 1 0 247.426 4.679 10 0 BJAERO CC[C@H](C)c1ccc([C@H](CC[NH3+])C(C)(C)C)cc1 ZINC000076633232 171411332 /nfs/dbraw/zinc/41/13/32/171411332.db2.gz BQTYJOFJLJULHG-BBRMVZONSA-N 1 0 247.426 4.679 10 0 BJAERO Cc1ccc(C)c(C[NH2+]C(C)(C)CC(C)(C)C)c1 ZINC000083377780 178473605 /nfs/dbraw/zinc/47/36/05/178473605.db2.gz FOJFGOUWNCKNCE-UHFFFAOYSA-N 1 0 247.426 4.608 10 0 BJAERO Cc1cccc(C)c1C[NH2+]C(C)(C)CC(C)(C)C ZINC000083377782 179037354 /nfs/dbraw/zinc/03/73/54/179037354.db2.gz IUGPNXAUUKKGAV-UHFFFAOYSA-N 1 0 247.426 4.608 10 0 BJAERO Cc1cccc(C[NH2+]C(C)(C)CC(C)(C)C)c1C ZINC000083377783 179088410 /nfs/dbraw/zinc/08/84/10/179088410.db2.gz CPCRODSESONYKN-UHFFFAOYSA-N 1 0 247.426 4.608 10 0 BJAERO CC[C@@H](C)c1ccc(CCCC[NH2+]C(C)C)cc1 ZINC000087730126 170804289 /nfs/dbraw/zinc/80/42/89/170804289.db2.gz IPOTTXQRHKXIOT-OAHLLOKOSA-N 1 0 247.426 4.521 10 0 BJAERO Cc1ccc(C(C)C)cc1[C@H](CCC[NH3+])C(C)C ZINC000096890731 178455976 /nfs/dbraw/zinc/45/59/76/178455976.db2.gz CKWBRQLJXOHZJT-MRXNPFEDSA-N 1 0 247.426 4.597 10 0 BJAERO Cc1cc(C(C)(C)C)ccc1[C@@H](C)CCCC[NH3+] ZINC000096891521 177828973 /nfs/dbraw/zinc/82/89/73/177828973.db2.gz XYDSDMMAHRNJOY-ZDUSSCGKSA-N 1 0 247.426 4.525 10 0 BJAERO CCC(C)(C)[C@H]1CC=C([NH+]2CCCCC2)CC1 ZINC000103540465 168304741 /nfs/dbraw/zinc/30/47/41/168304741.db2.gz PDXJJNODMSLWAT-AWEZNQCLSA-N 1 0 235.415 4.593 10 0 BJAERO CCC(C)(C)[C@@H]1CC=C([NH+]2CCCCC2)CC1 ZINC000103540470 168304669 /nfs/dbraw/zinc/30/46/69/168304669.db2.gz PDXJJNODMSLWAT-CQSZACIVSA-N 1 0 235.415 4.593 10 0 BJAERO CCC(C)(C)[C@H]1CC=C([NH+]2CCC(C)CC2)CC1 ZINC000103540574 168303987 /nfs/dbraw/zinc/30/39/87/168303987.db2.gz FJONAVADOCHPDX-HNNXBMFYSA-N 1 0 249.442 4.839 10 0 BJAERO CCC(C)(C)[C@@H]1CC=C([NH+]2CCC(C)CC2)CC1 ZINC000103540579 168304038 /nfs/dbraw/zinc/30/40/38/168304038.db2.gz FJONAVADOCHPDX-OAHLLOKOSA-N 1 0 249.442 4.839 10 0 BJAERO CC[NH2+][C@@H](CCC(C)(C)C)C1CCC(C)CC1 ZINC000103929753 170143629 /nfs/dbraw/zinc/14/36/29/170143629.db2.gz QMKJRTDBLYVJJU-NRXISQOPSA-N 1 0 239.447 4.617 10 0 BJAERO CC[NH2+][C@H](CCC(C)(C)C)C1CCC(C)CC1 ZINC000103929758 170161980 /nfs/dbraw/zinc/16/19/80/170161980.db2.gz QMKJRTDBLYVJJU-YMAMQOFZSA-N 1 0 239.447 4.617 10 0 BJAERO CC[C@H](C)CC1([NH3+])CCC(C(C)(C)CC)CC1 ZINC000103930658 171263850 /nfs/dbraw/zinc/26/38/50/171263850.db2.gz PFODPJCOQUHERJ-HLIUYOAVSA-N 1 0 239.447 4.747 10 0 BJAERO CCC[NH2+][C@@H](CCC(C)(C)C)c1ccccc1 ZINC000103930940 169277671 /nfs/dbraw/zinc/27/76/71/169277671.db2.gz AXZDFQZLZYDLPK-HNNXBMFYSA-N 1 0 233.399 4.554 10 0 BJAERO CCC[NH2+][C@H](CCC(C)(C)C)c1ccccc1 ZINC000103930944 169289417 /nfs/dbraw/zinc/28/94/17/169289417.db2.gz AXZDFQZLZYDLPK-OAHLLOKOSA-N 1 0 233.399 4.554 10 0 BJAERO CCC[NH2+][C@@H](CC)CCc1ccc(C(C)C)cc1 ZINC000103934761 169277705 /nfs/dbraw/zinc/27/77/05/169277705.db2.gz LYNCGLUDXXLHLG-KRWDZBQOSA-N 1 0 247.426 4.521 10 0 BJAERO CCC[NH2+][C@H](CC)CCc1ccc(C(C)C)cc1 ZINC000103934762 169288261 /nfs/dbraw/zinc/28/82/61/169288261.db2.gz LYNCGLUDXXLHLG-QGZVFWFLSA-N 1 0 247.426 4.521 10 0 BJAERO CCCC[C@H](CC)CC1([NH3+])CCC(CC)CC1 ZINC000103935079 168996425 /nfs/dbraw/zinc/99/64/25/168996425.db2.gz LYFRCEHQUOUXJE-PCKAHOCUSA-N 1 0 239.447 4.891 10 0 BJAERO CCC[C@@H](C)C[C@H]([NH2+]CC)c1ccc(CC)cc1 ZINC000103935279 169361717 /nfs/dbraw/zinc/36/17/17/169361717.db2.gz OMVHFQWWVOCVSA-PBHICJAKSA-N 1 0 247.426 4.726 10 0 BJAERO CCC[C@H](C)C[C@H]([NH2+]CC)c1ccc(CC)cc1 ZINC000103935284 169484821 /nfs/dbraw/zinc/48/48/21/169484821.db2.gz OMVHFQWWVOCVSA-YOEHRIQHSA-N 1 0 247.426 4.726 10 0 BJAERO CCC[C@@H](C)C[C@@H]([NH2+]CC)c1ccc(CC)cc1 ZINC000103935288 169361633 /nfs/dbraw/zinc/36/16/33/169361633.db2.gz OMVHFQWWVOCVSA-RHSMWYFYSA-N 1 0 247.426 4.726 10 0 BJAERO CCC[C@H](C)C[C@@H]([NH2+]CC)c1ccc(CC)cc1 ZINC000103935291 169484906 /nfs/dbraw/zinc/48/49/06/169484906.db2.gz OMVHFQWWVOCVSA-WMLDXEAASA-N 1 0 247.426 4.726 10 0 BJAERO CC[NH2+][C@H](CCC(C)(C)C)c1ccc(CC)cc1 ZINC000103935294 170161807 /nfs/dbraw/zinc/16/18/07/170161807.db2.gz YTLJYJJKHCMNLB-MRXNPFEDSA-N 1 0 247.426 4.726 10 0 BJAERO CC[NH2+][C@@H](CCC(C)(C)C)c1ccc(CC)cc1 ZINC000103935298 170144889 /nfs/dbraw/zinc/14/48/89/170144889.db2.gz YTLJYJJKHCMNLB-INIZCTEOSA-N 1 0 247.426 4.726 10 0 BJAERO CC[NH2+][C@@H]1CC[C@@H](CC)C[C@H]1CCC(C)(C)C ZINC000103937364 170153282 /nfs/dbraw/zinc/15/32/82/170153282.db2.gz DLXDANFFKYQWNW-RBSFLKMASA-N 1 0 239.447 4.617 10 0 BJAERO CC[NH2+][C@@H]1CC[C@H](CC)C[C@H]1CCC(C)(C)C ZINC000103937366 170153997 /nfs/dbraw/zinc/15/39/97/170153997.db2.gz DLXDANFFKYQWNW-RRFJBIMHSA-N 1 0 239.447 4.617 10 0 BJAERO CCCC[C@H]1C[C@@H](C(C)C)CC[C@@H]1[NH2+]CCC ZINC000103939022 187473129 /nfs/dbraw/zinc/47/31/29/187473129.db2.gz RLILLXAIOGSKCK-JYJNAYRXSA-N 1 0 239.447 4.617 10 0 BJAERO CCC[NH2+][C@@H](CC1CCCC1)c1cccc(C)c1 ZINC000103939522 169277713 /nfs/dbraw/zinc/27/77/13/169277713.db2.gz FFNCXBHETYUGFJ-KRWDZBQOSA-N 1 0 245.410 4.616 10 0 BJAERO CCC[NH2+][C@H](CC1CCCC1)c1cccc(C)c1 ZINC000103939524 169288826 /nfs/dbraw/zinc/28/88/26/169288826.db2.gz FFNCXBHETYUGFJ-QGZVFWFLSA-N 1 0 245.410 4.616 10 0 BJAERO CCC[C@@H](C)C[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000103940649 169361732 /nfs/dbraw/zinc/36/17/32/169361732.db2.gz VSLIKNZXWLULLW-CJNGLKHVSA-N 1 0 233.399 4.636 10 0 BJAERO CCC[C@@H](C)C[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000103940656 169361486 /nfs/dbraw/zinc/36/14/86/169361486.db2.gz VSLIKNZXWLULLW-CZUORRHYSA-N 1 0 233.399 4.636 10 0 BJAERO CC[NH2+][C@H](CCC(C)(C)C)[C@@H]1CCC[C@H](C)C1 ZINC000103940792 170161840 /nfs/dbraw/zinc/16/18/40/170161840.db2.gz INKHJVSVPQZEKL-RRFJBIMHSA-N 1 0 239.447 4.617 10 0 BJAERO CC[NH2+][C@H](CCC(C)(C)C)[C@H]1CCC[C@H](C)C1 ZINC000103940797 170161813 /nfs/dbraw/zinc/16/18/13/170161813.db2.gz INKHJVSVPQZEKL-SOUVJXGZSA-N 1 0 239.447 4.617 10 0 BJAERO CCC[NH2+][C@@H](CCC(C)C)CC1CCCCC1 ZINC000103942133 169277845 /nfs/dbraw/zinc/27/78/45/169277845.db2.gz MMQLPYJGLOCZQY-INIZCTEOSA-N 1 0 239.447 4.761 10 0 BJAERO CCC[NH2+][C@H](CCC(C)C)CC1CCCCC1 ZINC000103942136 169288829 /nfs/dbraw/zinc/28/88/29/169288829.db2.gz MMQLPYJGLOCZQY-MRXNPFEDSA-N 1 0 239.447 4.761 10 0 BJAERO CCCC[C@H]([NH2+]CC)c1ccc2ccccc2c1 ZINC000103942278 169012104 /nfs/dbraw/zinc/01/21/04/169012104.db2.gz JDOKSFHBPWHJEA-KRWDZBQOSA-N 1 0 241.378 4.681 10 0 BJAERO CCCC[C@@H]([NH2+]CC)c1ccc2ccccc2c1 ZINC000103942282 168973208 /nfs/dbraw/zinc/97/32/08/168973208.db2.gz JDOKSFHBPWHJEA-QGZVFWFLSA-N 1 0 241.378 4.681 10 0 BJAERO CCCC[C@H](CC)C[C@H]([NH2+]CC)C1CCCC1 ZINC000103943407 168999502 /nfs/dbraw/zinc/99/95/02/168999502.db2.gz PODUHIRDVYTZRU-HOCLYGCPSA-N 1 0 239.447 4.761 10 0 BJAERO CCCC[C@]1([NH3+])CCCC[C@@H]1C1CCCCC1 ZINC000103944478 169016624 /nfs/dbraw/zinc/01/66/24/169016624.db2.gz OQLPLARWBWFJTA-CVEARBPZSA-N 1 0 237.431 4.645 10 0 BJAERO CCCC[C@]1([NH3+])CCCC[C@H]1C1CCCCC1 ZINC000103944484 169015786 /nfs/dbraw/zinc/01/57/86/169015786.db2.gz OQLPLARWBWFJTA-HOTGVXAUSA-N 1 0 237.431 4.645 10 0 BJAERO CC[NH2+][C@@H](CCCC(C)(C)C)c1ccccc1 ZINC000103945596 170144695 /nfs/dbraw/zinc/14/46/95/170144695.db2.gz NWMFIKKOMWAJSH-HNNXBMFYSA-N 1 0 233.399 4.554 10 0 BJAERO CC[NH2+][C@H](CCCC(C)(C)C)c1ccccc1 ZINC000103945599 170161970 /nfs/dbraw/zinc/16/19/70/170161970.db2.gz NWMFIKKOMWAJSH-OAHLLOKOSA-N 1 0 233.399 4.554 10 0 BJAERO CCC[NH2+][C@@H](c1cccc(C)c1C)C1CCCC1 ZINC000103946508 169281137 /nfs/dbraw/zinc/28/11/37/169281137.db2.gz HWRDLLQLZJLILX-QGZVFWFLSA-N 1 0 245.410 4.534 10 0 BJAERO CCC[NH2+][C@H](c1cccc(C)c1C)C1CCCC1 ZINC000103946514 169291088 /nfs/dbraw/zinc/29/10/88/169291088.db2.gz HWRDLLQLZJLILX-KRWDZBQOSA-N 1 0 245.410 4.534 10 0 BJAERO CCCC[C@H](CC)C[C@@H]1CCC[C@@H]1[NH2+]CCC ZINC000103947429 169000057 /nfs/dbraw/zinc/00/00/57/169000057.db2.gz VZZTUWMLRQDWIT-JYJNAYRXSA-N 1 0 239.447 4.761 10 0 BJAERO CCCC[C@H](CC)C[C@H]1CCC[C@@H]1[NH2+]CCC ZINC000103947437 169000087 /nfs/dbraw/zinc/00/00/87/169000087.db2.gz VZZTUWMLRQDWIT-XHSDSOJGSA-N 1 0 239.447 4.761 10 0 BJAERO CCCC[C@H]([NH2+]CCC)C(C)(C)c1ccccc1 ZINC000103948548 169011598 /nfs/dbraw/zinc/01/15/98/169011598.db2.gz JPNUTEIVHAZCSE-INIZCTEOSA-N 1 0 247.426 4.523 10 0 BJAERO CCCC[C@@H]([NH2+]CCC)C(C)(C)c1ccccc1 ZINC000103948553 168973200 /nfs/dbraw/zinc/97/32/00/168973200.db2.gz JPNUTEIVHAZCSE-MRXNPFEDSA-N 1 0 247.426 4.523 10 0 BJAERO CCCC[C@@H]1C[C@H](CCC)CC[C@@H]1[NH2+]CCC ZINC000103949277 188150903 /nfs/dbraw/zinc/15/09/03/188150903.db2.gz DMBRTXQAPZLCSU-OAGGEKHMSA-N 1 0 239.447 4.761 10 0 BJAERO CCCC[C@H]1C[C@H](CCC)CC[C@@H]1[NH2+]CCC ZINC000103949280 187302588 /nfs/dbraw/zinc/30/25/88/187302588.db2.gz DMBRTXQAPZLCSU-PMPSAXMXSA-N 1 0 239.447 4.761 10 0 BJAERO CC(C)(C)CC[C@]1([NH3+])CCCC[C@H]1C(C)(C)C ZINC000103949585 166576260 /nfs/dbraw/zinc/57/62/60/166576260.db2.gz VVEXWHVHFIXJRN-XJKSGUPXSA-N 1 0 239.447 4.747 10 0 BJAERO CC(C)(C)CC[C@@]1([NH3+])CCCC[C@H]1C(C)(C)C ZINC000103949591 166576366 /nfs/dbraw/zinc/57/63/66/166576366.db2.gz VVEXWHVHFIXJRN-BBRMVZONSA-N 1 0 239.447 4.747 10 0 BJAERO CCC[NH2+][C@@H](CCC)c1ccc2ccccc2c1 ZINC000103951580 169278285 /nfs/dbraw/zinc/27/82/85/169278285.db2.gz SAAMHXZBZJFTTA-KRWDZBQOSA-N 1 0 241.378 4.681 10 0 BJAERO CCC[NH2+][C@H](CCC)c1ccc2ccccc2c1 ZINC000103951584 169289189 /nfs/dbraw/zinc/28/91/89/169289189.db2.gz SAAMHXZBZJFTTA-QGZVFWFLSA-N 1 0 241.378 4.681 10 0 BJAERO CCCC[C@H]([NH2+]CC(C)(C)C)c1ccccc1 ZINC000103968091 169011174 /nfs/dbraw/zinc/01/11/74/169011174.db2.gz CHMKAARCAOEUCV-HNNXBMFYSA-N 1 0 233.399 4.554 10 0 BJAERO C[C@@H]1C[C@@H]1[NH2+]C1CCCCCCCCCCC1 ZINC000103971698 176404529 /nfs/dbraw/zinc/40/45/29/176404529.db2.gz IVQBDDOGIHZBDK-ZBFHGGJFSA-N 1 0 237.431 4.658 10 0 BJAERO C[C@H]1C[C@@H]1[NH2+]C1CCCCCCCCCCC1 ZINC000103971702 177350299 /nfs/dbraw/zinc/35/02/99/177350299.db2.gz IVQBDDOGIHZBDK-HOCLYGCPSA-N 1 0 237.431 4.658 10 0 BJAERO C[C@@H]1C[C@H]1[NH2+]C1CCCCCCCCCCC1 ZINC000103971706 176445991 /nfs/dbraw/zinc/44/59/91/176445991.db2.gz IVQBDDOGIHZBDK-GDBMZVCRSA-N 1 0 237.431 4.658 10 0 BJAERO C[C@H]1C[C@H]1[NH2+]C1CCCCCCCCCCC1 ZINC000103971709 177385580 /nfs/dbraw/zinc/38/55/80/177385580.db2.gz IVQBDDOGIHZBDK-GOEBONIOSA-N 1 0 237.431 4.658 10 0 BJAERO CC(C)(C)C[NH2+][C@H](CC(C)(C)C)c1ccccc1 ZINC000103972662 166592064 /nfs/dbraw/zinc/59/20/64/166592064.db2.gz NNVUQTDFVRWNPV-OAHLLOKOSA-N 1 0 247.426 4.800 10 0 BJAERO CCc1ccc([C@@H](CC)[NH2+][C@H](CC)C(C)C)cc1 ZINC000103973009 171833366 /nfs/dbraw/zinc/83/33/66/171833366.db2.gz OJSKUKUUAIIAJO-IAGOWNOFSA-N 1 0 247.426 4.724 10 0 BJAERO CCCc1ccc([C@H](C)[NH2+][C@@H](CC)C(C)C)cc1 ZINC000103974727 169575612 /nfs/dbraw/zinc/57/56/12/169575612.db2.gz IFVSUSXXKZIJMS-YOEHRIQHSA-N 1 0 247.426 4.724 10 0 BJAERO CCCC[C@@H](C)[NH2+][C@@H](CC)c1ccc(CC)cc1 ZINC000103974874 168949747 /nfs/dbraw/zinc/94/97/47/168949747.db2.gz RYCVZAJSKDHUIL-PBHICJAKSA-N 1 0 247.426 4.868 10 0 BJAERO CCCC[C@@H](C)[NH2+][C@@H](C)c1ccc(CCC)cc1 ZINC000103976713 168948303 /nfs/dbraw/zinc/94/83/03/168948303.db2.gz KLJIUKLSAKYZLH-CABCVRRESA-N 1 0 247.426 4.868 10 0 BJAERO CC[C@H](C[C@@H](C)CC)[NH2+][C@@H](C)C1CCCCC1 ZINC000103978860 171296780 /nfs/dbraw/zinc/29/67/80/171296780.db2.gz XHIYXWPAZVFECK-OFQRWUPVSA-N 1 0 239.447 4.760 10 0 BJAERO CC[C@H](C)C[C@H](CC)[NH2+][C@@H](C)C1CCCCC1 ZINC000103978867 171299148 /nfs/dbraw/zinc/29/91/48/171299148.db2.gz XHIYXWPAZVFECK-DZKIICNBSA-N 1 0 239.447 4.760 10 0 BJAERO Cc1cccc([C@@H](C)[NH2+]CCC2CCCCC2)c1 ZINC000103980194 179180426 /nfs/dbraw/zinc/18/04/26/179180426.db2.gz WXILTCGYKTZATH-OAHLLOKOSA-N 1 0 245.410 4.616 10 0 BJAERO Cc1cccc([C@H](C)[NH2+]CCC2CCCCC2)c1 ZINC000103980197 179194525 /nfs/dbraw/zinc/19/45/25/179194525.db2.gz WXILTCGYKTZATH-HNNXBMFYSA-N 1 0 245.410 4.616 10 0 BJAERO CC1CCC(C[NH2+]C2CCCCCCC2)CC1 ZINC000103980742 168155339 /nfs/dbraw/zinc/15/53/39/168155339.db2.gz MFMMMENRTBAIIP-UHFFFAOYSA-N 1 0 237.431 4.515 10 0 BJAERO CCCC(CCC)[NH2+][C@H](C)c1ccc(C)cc1 ZINC000103982050 168582842 /nfs/dbraw/zinc/58/28/42/168582842.db2.gz HVRZYJFTEZVMRL-CQSZACIVSA-N 1 0 233.399 4.614 10 0 BJAERO CC(C)CCC[NH2+][C@@H](CC(C)C)c1ccccc1 ZINC000103982170 166815992 /nfs/dbraw/zinc/81/59/92/166815992.db2.gz QXUFYZZPJNYPRV-KRWDZBQOSA-N 1 0 247.426 4.800 10 0 BJAERO CCCc1ccc([C@H](C)[NH2+]CCCC(C)C)cc1 ZINC000103982180 169574066 /nfs/dbraw/zinc/57/40/66/169574066.db2.gz OOKLEXHZMRDILC-HNNXBMFYSA-N 1 0 247.426 4.726 10 0 BJAERO CC[C@H]([NH2+][C@H](C)C1CCCC1)C1CCCCC1 ZINC000103982430 171544118 /nfs/dbraw/zinc/54/41/18/171544118.db2.gz VMAFOOAKVMBDEP-CJNGLKHVSA-N 1 0 237.431 4.514 10 0 BJAERO CC(C)CCC[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000103983662 166817515 /nfs/dbraw/zinc/81/75/15/166817515.db2.gz ONHNKZMPCKMVTK-GJZGRUSLSA-N 1 0 239.447 4.617 10 0 BJAERO CCC[C@@H](CC)[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000103985549 169379114 /nfs/dbraw/zinc/37/91/14/169379114.db2.gz ZYVYFPWJYNSBSP-GOEBONIOSA-N 1 0 233.399 4.533 10 0 BJAERO CCC[C@@H](CC)[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000103985558 169380614 /nfs/dbraw/zinc/38/06/14/169380614.db2.gz ZYVYFPWJYNSBSP-GDBMZVCRSA-N 1 0 233.399 4.533 10 0 BJAERO CC[C@H]([NH2+][C@@H](C)CCC(C)C)C1CCCCC1 ZINC000103985595 171535605 /nfs/dbraw/zinc/53/56/05/171535605.db2.gz HFWAVTOWIGSGFK-HOCLYGCPSA-N 1 0 239.447 4.760 10 0 BJAERO CC[C@@H]([NH2+][C@H](C)CCC(C)C)C1CCCCC1 ZINC000103985609 170911246 /nfs/dbraw/zinc/91/12/46/170911246.db2.gz HFWAVTOWIGSGFK-GDBMZVCRSA-N 1 0 239.447 4.760 10 0 BJAERO Cc1ccccc1C[NH2+]C(CC(C)C)CC(C)C ZINC000103986890 179280437 /nfs/dbraw/zinc/28/04/37/179280437.db2.gz IAGBCSTWITULAI-UHFFFAOYSA-N 1 0 247.426 4.545 10 0 BJAERO CCCc1ccc([C@@H](C)[NH2+][C@H](CC)CCC)cc1 ZINC000103987280 169573151 /nfs/dbraw/zinc/57/31/51/169573151.db2.gz USRUISFBPCVMMM-RHSMWYFYSA-N 1 0 247.426 4.868 10 0 BJAERO CCC[C@@H](CC)[NH2+][C@H](CCC)c1ccccc1 ZINC000103987315 169380567 /nfs/dbraw/zinc/38/05/67/169380567.db2.gz BBCVMAKYGGTCDM-HZPDHXFCSA-N 1 0 233.399 4.696 10 0 BJAERO CCC[C@@H]([NH2+][C@@H](CC)CCC)c1ccccc1 ZINC000103987319 187631842 /nfs/dbraw/zinc/63/18/42/187631842.db2.gz BBCVMAKYGGTCDM-JKSUJKDBSA-N 1 0 233.399 4.696 10 0 BJAERO CCC[C@@H](CC)[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000103989058 169379668 /nfs/dbraw/zinc/37/96/68/169379668.db2.gz CUPARJOPZJJFCS-MRXNPFEDSA-N 1 0 247.426 4.652 10 0 BJAERO CC[C@H]([NH2+]C1CCC(C)CC1)C1CCCCC1 ZINC000103989137 171515233 /nfs/dbraw/zinc/51/52/33/171515233.db2.gz AHHKZWWNDZMOCW-BCLQGDPASA-N 1 0 237.431 4.514 10 0 BJAERO CC1(C)C[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000103990749 188323665 /nfs/dbraw/zinc/32/36/65/188323665.db2.gz LNBDBCVHKPODOP-OAGGEKHMSA-N 1 0 249.442 4.514 10 0 BJAERO CC1(C)C[C@H]1[NH2+][C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000103990752 188336467 /nfs/dbraw/zinc/33/64/67/188336467.db2.gz LNBDBCVHKPODOP-BZUAXINKSA-N 1 0 249.442 4.514 10 0 BJAERO CC1(C)C[C@@H]1[NH2+][C@H]1CCCC[C@@H]1C1CCCCC1 ZINC000103990756 188150948 /nfs/dbraw/zinc/15/09/48/188150948.db2.gz LNBDBCVHKPODOP-PMPSAXMXSA-N 1 0 249.442 4.514 10 0 BJAERO CC[C@@H]([NH2+][C@@H]1CCCC[C@@H]1C)C1CCCCC1 ZINC000103990845 170909182 /nfs/dbraw/zinc/90/91/82/170909182.db2.gz AXQSWKSZUNIBQV-NUEKZKHPSA-N 1 0 237.431 4.514 10 0 BJAERO CC[C@H]([NH2+]C1CCC(CC)CC1)c1ccccc1 ZINC000103992177 168522009 /nfs/dbraw/zinc/52/20/09/168522009.db2.gz ISGGUYKDCNJMTH-PREGVCBESA-N 1 0 245.410 4.696 10 0 BJAERO CCCCC[C@@](CC)(C[NH2+]CC)c1ccccc1 ZINC000103996530 168741975 /nfs/dbraw/zinc/74/19/75/168741975.db2.gz DMCGUAYADVLFME-KRWDZBQOSA-N 1 0 247.426 4.524 10 0 BJAERO CC[NH2+][C@H](C1=CCCCCC1)C1CCCCCC1 ZINC000103996787 170160798 /nfs/dbraw/zinc/16/07/98/170160798.db2.gz OEKQUMWESQDUNQ-QGZVFWFLSA-N 1 0 249.442 4.825 10 0 BJAERO CC[NH2+][C@@H](C1=CCCCCC1)C1CCCCCC1 ZINC000103996790 170143394 /nfs/dbraw/zinc/14/33/94/170143394.db2.gz OEKQUMWESQDUNQ-KRWDZBQOSA-N 1 0 249.442 4.825 10 0 BJAERO CCCCC1CCC(C[NH3+])(C[C@@H](C)CC)CC1 ZINC000103997820 168631820 /nfs/dbraw/zinc/63/18/20/168631820.db2.gz PNGGBQSNJVRJJA-FHERZECASA-N 1 0 239.447 4.748 10 0 BJAERO CC[NH2+][C@@H](CCC1CCCC1)c1cc(C)oc1C ZINC000103999713 170145594 /nfs/dbraw/zinc/14/55/94/170145594.db2.gz MPXQQYGDWDZVHK-INIZCTEOSA-N 1 0 249.398 4.517 10 0 BJAERO CC[NH2+][C@H](CCC1CCCC1)c1cc(C)oc1C ZINC000103999719 170161503 /nfs/dbraw/zinc/16/15/03/170161503.db2.gz MPXQQYGDWDZVHK-MRXNPFEDSA-N 1 0 249.398 4.517 10 0 BJAERO CC[NH2+][C@@H](C[C@@H](C)CC(C)(C)C)C1=CCCC1 ZINC000104001203 170146822 /nfs/dbraw/zinc/14/68/22/170146822.db2.gz WDKPLLRXWUGEAI-HIFRSBDPSA-N 1 0 237.431 4.537 10 0 BJAERO CC[NH2+][C@H](C[C@@H](C)CC(C)(C)C)C1=CCCC1 ZINC000104001207 170162616 /nfs/dbraw/zinc/16/26/16/170162616.db2.gz WDKPLLRXWUGEAI-UKRRQHHQSA-N 1 0 237.431 4.537 10 0 BJAERO CC[NH2+][C@@H](C[C@H](C)CC(C)(C)C)C1=CCCC1 ZINC000104001210 170146426 /nfs/dbraw/zinc/14/64/26/170146426.db2.gz WDKPLLRXWUGEAI-ZFWWWQNUSA-N 1 0 237.431 4.537 10 0 BJAERO CC[NH2+][C@H](C[C@H](C)CC(C)(C)C)C1=CCCC1 ZINC000104001213 170162218 /nfs/dbraw/zinc/16/22/18/170162218.db2.gz WDKPLLRXWUGEAI-DZGCQCFKSA-N 1 0 237.431 4.537 10 0 BJAERO CCC[NH2+]CC1(C[C@H](C)CCC)CCCCC1 ZINC000104002330 169256500 /nfs/dbraw/zinc/25/65/00/169256500.db2.gz XWJLWTXZYIHFMD-OAHLLOKOSA-N 1 0 239.447 4.763 10 0 BJAERO CCC[NH2+]CC1(C[C@@H](C)CCC)CCCCC1 ZINC000104002333 169256898 /nfs/dbraw/zinc/25/68/98/169256898.db2.gz XWJLWTXZYIHFMD-HNNXBMFYSA-N 1 0 239.447 4.763 10 0 BJAERO CCCC[C@@H](CC)C[NH2+]C[C@@H]1CCCC[C@@H]1C ZINC000104004546 168959658 /nfs/dbraw/zinc/95/96/58/168959658.db2.gz XZRYLLQYCPNZAM-XHSDSOJGSA-N 1 0 239.447 4.619 10 0 BJAERO CCCC[C@@H](CC)C[NH2+]C[C@H]1CCCC[C@@H]1C ZINC000104004555 168958690 /nfs/dbraw/zinc/95/86/90/168958690.db2.gz XZRYLLQYCPNZAM-ARFHVFGLSA-N 1 0 239.447 4.619 10 0 BJAERO CCCC[C@](CC)(C[NH3+])CCCc1ccccc1 ZINC000104004819 169014978 /nfs/dbraw/zinc/01/49/78/169014978.db2.gz JZUVWOHITKRUIU-KRWDZBQOSA-N 1 0 247.426 4.555 10 0 BJAERO CCCC[C@H](CC)C[C@H](CC)C[NH2+]CC(C)C ZINC000104007409 169000005 /nfs/dbraw/zinc/00/00/05/169000005.db2.gz ISRUTSLRKZSBMM-HOTGVXAUSA-N 1 0 241.463 4.865 10 0 BJAERO CC[C@@H](C)c1ccc([C@@H]([NH3+])C(C)(C)CC)cc1 ZINC000104007469 170805125 /nfs/dbraw/zinc/80/51/25/170805125.db2.gz KOVGXPBAJHGHBX-IUODEOHRSA-N 1 0 233.399 4.636 10 0 BJAERO CCC[NH2+][C@@H](CCC(C)C)C1=CCCCCC1 ZINC000104007834 169278104 /nfs/dbraw/zinc/27/81/04/169278104.db2.gz VWNUQPRGRODXAC-INIZCTEOSA-N 1 0 237.431 4.681 10 0 BJAERO CCC[NH2+][C@H](CCC(C)C)C1=CCCCCC1 ZINC000104007837 169289528 /nfs/dbraw/zinc/28/95/28/169289528.db2.gz VWNUQPRGRODXAC-MRXNPFEDSA-N 1 0 237.431 4.681 10 0 BJAERO CCC[NH2+][C@@H](c1ccc(C)cc1C)C(C)(C)CC ZINC000104009194 169279579 /nfs/dbraw/zinc/27/95/79/169279579.db2.gz XBCLTHBJEJGHOR-INIZCTEOSA-N 1 0 247.426 4.780 10 0 BJAERO CCC[NH2+][C@H](c1ccc(C)cc1C)C(C)(C)CC ZINC000104009199 169289946 /nfs/dbraw/zinc/28/99/46/169289946.db2.gz XBCLTHBJEJGHOR-MRXNPFEDSA-N 1 0 247.426 4.780 10 0 BJAERO CNc1cc(C(C)C)[nH+]c2ccc(C(C)C)cc12 ZINC000104009949 173472819 /nfs/dbraw/zinc/47/28/19/173472819.db2.gz WDTBDBXYWJBXIJ-UHFFFAOYSA-N 1 0 242.366 4.523 10 0 BJAERO CC(C)c1ccc([C@H]([NH3+])CC2CC2)c(C(C)C)c1 ZINC000104010619 167619723 /nfs/dbraw/zinc/61/97/23/167619723.db2.gz KCFPJULFNVWQCQ-QGZVFWFLSA-N 1 0 245.410 4.733 10 0 BJAERO CCCC[C@](CC)(C[NH2+]C1CC1)C[C@@H](C)CC ZINC000104010763 169015051 /nfs/dbraw/zinc/01/50/51/169015051.db2.gz FTCZNXOTLWHRDJ-HOCLYGCPSA-N 1 0 239.447 4.761 10 0 BJAERO CCCC[C@@](CC)(C[NH2+]C1CC1)C[C@@H](C)CC ZINC000104010767 168977731 /nfs/dbraw/zinc/97/77/31/168977731.db2.gz FTCZNXOTLWHRDJ-GOEBONIOSA-N 1 0 239.447 4.761 10 0 BJAERO CCCC[C@](CC)(C[NH2+]C1CC1)C[C@H](C)CC ZINC000104010772 169014933 /nfs/dbraw/zinc/01/49/33/169014933.db2.gz FTCZNXOTLWHRDJ-ZBFHGGJFSA-N 1 0 239.447 4.761 10 0 BJAERO CCCC[C@@](CC)(C[NH2+]C1CC1)C[C@H](C)CC ZINC000104010779 168977253 /nfs/dbraw/zinc/97/72/53/168977253.db2.gz FTCZNXOTLWHRDJ-GDBMZVCRSA-N 1 0 239.447 4.761 10 0 BJAERO CCC[NH2+][C@H](C1=CCCCCC1)C1CCCCC1 ZINC000104011080 169288303 /nfs/dbraw/zinc/28/83/03/169288303.db2.gz WOPQLEMQXNBPAP-QGZVFWFLSA-N 1 0 249.442 4.825 10 0 BJAERO CCC[NH2+][C@@H](C1=CCCCCC1)C1CCCCC1 ZINC000104011083 169277534 /nfs/dbraw/zinc/27/75/34/169277534.db2.gz WOPQLEMQXNBPAP-KRWDZBQOSA-N 1 0 249.442 4.825 10 0 BJAERO CCC(CC)(CCC(C)(C)C)C[NH2+]CC(C)C ZINC000104014459 168319231 /nfs/dbraw/zinc/31/92/31/168319231.db2.gz JUMJGPZDHMULSP-UHFFFAOYSA-N 1 0 241.463 4.865 10 0 BJAERO CCCCc1ccc([C@H]([NH2+]C)C(C)(C)CC)cc1 ZINC000104016086 169023033 /nfs/dbraw/zinc/02/30/33/169023033.db2.gz JSOJUAXAQFMUEQ-INIZCTEOSA-N 1 0 247.426 4.726 10 0 BJAERO CCCCc1ccc([C@@H]([NH2+]C)C(C)(C)CC)cc1 ZINC000104016091 169022033 /nfs/dbraw/zinc/02/20/33/169022033.db2.gz JSOJUAXAQFMUEQ-MRXNPFEDSA-N 1 0 247.426 4.726 10 0 BJAERO CCC[NH2+]C[C@@](C)(CCC)CC1CCCCC1 ZINC000104018066 169263080 /nfs/dbraw/zinc/26/30/80/169263080.db2.gz FTYKVESXPOCQNT-INIZCTEOSA-N 1 0 239.447 4.763 10 0 BJAERO CCC[NH2+]C[C@](C)(CCC)CC1CCCCC1 ZINC000104018071 169264504 /nfs/dbraw/zinc/26/45/04/169264504.db2.gz FTYKVESXPOCQNT-MRXNPFEDSA-N 1 0 239.447 4.763 10 0 BJAERO CCC[NH2+][C@@H](c1ccc(C)cc1)C1=CCCCC1 ZINC000104018378 169288534 /nfs/dbraw/zinc/28/85/34/169288534.db2.gz JUXOPIZWRXXEHR-QGZVFWFLSA-N 1 0 243.394 4.536 10 0 BJAERO CCC[NH2+][C@H](c1ccc(C)cc1)C1=CCCCC1 ZINC000104018382 169276730 /nfs/dbraw/zinc/27/67/30/169276730.db2.gz JUXOPIZWRXXEHR-KRWDZBQOSA-N 1 0 243.394 4.536 10 0 BJAERO CC(C)(C)[NH2+]CC1(C)CCC(C(C)(C)C)CC1 ZINC000104020131 168040153 /nfs/dbraw/zinc/04/01/53/168040153.db2.gz ROCXRUPVQNNSGQ-UHFFFAOYSA-N 1 0 239.447 4.617 10 0 BJAERO CCCCCC[C@@](CC)(C[NH2+]C)c1ccccc1 ZINC000104020192 168678284 /nfs/dbraw/zinc/67/82/84/168678284.db2.gz SSVREGPYSCTDIK-KRWDZBQOSA-N 1 0 247.426 4.524 10 0 BJAERO CC[NH2+][C@@H](CCC1CCCCC1)c1ccc(C)o1 ZINC000104020409 170145073 /nfs/dbraw/zinc/14/50/73/170145073.db2.gz UKUZQGQXJMQUOI-HNNXBMFYSA-N 1 0 249.398 4.599 10 0 BJAERO CC[NH2+][C@H](CCC1CCCCC1)c1ccc(C)o1 ZINC000104020416 170161693 /nfs/dbraw/zinc/16/16/93/170161693.db2.gz UKUZQGQXJMQUOI-OAHLLOKOSA-N 1 0 249.398 4.599 10 0 BJAERO CCC[C@@H]([NH2+]CCC(C)(C)C)c1ccccc1 ZINC000104025464 169399924 /nfs/dbraw/zinc/39/99/24/169399924.db2.gz SUZBVVIJNKAMIO-OAHLLOKOSA-N 1 0 233.399 4.554 10 0 BJAERO CC(C)C[C@H]([NH2+]CCC(C)(C)C)c1ccccc1 ZINC000104146745 188323656 /nfs/dbraw/zinc/32/36/56/188323656.db2.gz GYNWJWQLFILCSP-INIZCTEOSA-N 1 0 247.426 4.800 10 0 BJAERO CC(C)C[C@@H]([NH2+]CCC(C)(C)C)c1ccccc1 ZINC000104146752 187292201 /nfs/dbraw/zinc/29/22/01/187292201.db2.gz GYNWJWQLFILCSP-MRXNPFEDSA-N 1 0 247.426 4.800 10 0 BJAERO CCCCCCC1(C[NH2+]C(C)(C)C)CCCC1 ZINC000104148585 168647745 /nfs/dbraw/zinc/64/77/45/168647745.db2.gz QVOLOPYNQIBCCP-UHFFFAOYSA-N 1 0 239.447 4.905 10 0 BJAERO CCCCCC1([NH3+])CCC(c2ccccc2)CC1 ZINC000104150688 187978388 /nfs/dbraw/zinc/97/83/88/187978388.db2.gz ABFUESJJDXFIPR-UHFFFAOYSA-N 1 0 245.410 4.622 10 0 BJAERO CCCC[C@](CC)(C[NH2+]CC(C)C)CC(C)C ZINC000104154592 169014854 /nfs/dbraw/zinc/01/48/54/169014854.db2.gz BJHKVQLTTJIPKH-INIZCTEOSA-N 1 0 241.463 4.865 10 0 BJAERO CCCCC[C@]1([NH3+])CCCC[C@H]1c1ccccc1 ZINC000104161232 168746688 /nfs/dbraw/zinc/74/66/88/168746688.db2.gz PPPHRJFABRTEGI-IRXDYDNUSA-N 1 0 245.410 4.622 10 0 BJAERO CCCCC[C@@]1([NH3+])CCCC[C@H]1c1ccccc1 ZINC000104161235 168741304 /nfs/dbraw/zinc/74/13/04/168741304.db2.gz PPPHRJFABRTEGI-DLBZAZTESA-N 1 0 245.410 4.622 10 0 BJAERO CCCCC[C@@](CC)(CCCC)C[NH2+]C1CC1 ZINC000104162021 168741471 /nfs/dbraw/zinc/74/14/71/168741471.db2.gz ICHJFMZPKUIYIT-MRXNPFEDSA-N 1 0 239.447 4.905 10 0 BJAERO CCCCCC[C@@]1([NH3+])CCCCc2ccccc21 ZINC000104167889 168678224 /nfs/dbraw/zinc/67/82/24/168678224.db2.gz NGINMIWQZWVXRC-QGZVFWFLSA-N 1 0 245.410 4.537 10 0 BJAERO C[NH2+]C[C@@H]1CC12CCCCCCCCCCC2 ZINC000104168737 173367001 /nfs/dbraw/zinc/36/70/01/173367001.db2.gz OSZULMAYQHOOAV-HNNXBMFYSA-N 1 0 237.431 4.517 10 0 BJAERO C[NH2+]C[C@H]1CC12CCCCCCCCCCC2 ZINC000104168740 173377940 /nfs/dbraw/zinc/37/79/40/173377940.db2.gz OSZULMAYQHOOAV-OAHLLOKOSA-N 1 0 237.431 4.517 10 0 BJAERO CC[NH2+][C@@H]1CCCCc2ccc([C@H](C)CC)cc21 ZINC000104168757 170151085 /nfs/dbraw/zinc/15/10/85/170151085.db2.gz RAOLUINPZVWJAF-CXAGYDPISA-N 1 0 245.410 4.577 10 0 BJAERO CC[NH2+][C@@H]1CCCCc2ccc([C@@H](C)CC)cc21 ZINC000104168761 170150474 /nfs/dbraw/zinc/15/04/74/170150474.db2.gz RAOLUINPZVWJAF-SUMWQHHRSA-N 1 0 245.410 4.577 10 0 BJAERO CC[NH2+][C@H]1CCCCc2ccc([C@H](C)CC)cc21 ZINC000104168763 170166807 /nfs/dbraw/zinc/16/68/07/170166807.db2.gz RAOLUINPZVWJAF-DYVFJYSZSA-N 1 0 245.410 4.577 10 0 BJAERO CC[NH2+][C@H]1CCCCc2ccc([C@@H](C)CC)cc21 ZINC000104168765 170166845 /nfs/dbraw/zinc/16/68/45/170166845.db2.gz RAOLUINPZVWJAF-GUYCJALGSA-N 1 0 245.410 4.577 10 0 BJAERO CCC[NH2+][C@@H](C[C@@H](C)C(C)(C)C)C1=CCCC1 ZINC000104434099 169279862 /nfs/dbraw/zinc/27/98/62/169279862.db2.gz XLJSSEDQFIXVSQ-HIFRSBDPSA-N 1 0 237.431 4.537 10 0 BJAERO CCC[NH2+][C@H](C[C@@H](C)C(C)(C)C)C1=CCCC1 ZINC000104434104 169289163 /nfs/dbraw/zinc/28/91/63/169289163.db2.gz XLJSSEDQFIXVSQ-UKRRQHHQSA-N 1 0 237.431 4.537 10 0 BJAERO CCC[NH2+][C@@H](C[C@H](C)C(C)(C)C)C1=CCCC1 ZINC000104434108 169279202 /nfs/dbraw/zinc/27/92/02/169279202.db2.gz XLJSSEDQFIXVSQ-ZFWWWQNUSA-N 1 0 237.431 4.537 10 0 BJAERO CCC[NH2+][C@H](C[C@H](C)C(C)(C)C)C1=CCCC1 ZINC000104434112 169289178 /nfs/dbraw/zinc/28/91/78/169289178.db2.gz XLJSSEDQFIXVSQ-DZGCQCFKSA-N 1 0 237.431 4.537 10 0 BJAERO CCC(CC)[C@@H](C)[NH2+]Cc1c(C)cc(C)cc1C ZINC000104437273 168399602 /nfs/dbraw/zinc/39/96/02/168399602.db2.gz WYWJXODKBDPFHG-OAHLLOKOSA-N 1 0 247.426 4.526 10 0 BJAERO CCCC1CCC([NH2+][C@@H](C)C(CC)CC)CC1 ZINC000104438397 168606435 /nfs/dbraw/zinc/60/64/35/168606435.db2.gz FWEUXQLQEJYZGP-HLIUYOAVSA-N 1 0 239.447 4.760 10 0 BJAERO CCC[C@H]([NH2+][C@H](C)C(CC)CC)c1ccccc1 ZINC000104444457 169513335 /nfs/dbraw/zinc/51/33/35/169513335.db2.gz VPZHLSNHEIPYST-PBHICJAKSA-N 1 0 247.426 4.942 10 0 BJAERO CCC[NH2+][C@@H](C[C@@H](C)C(C)(C)C)c1ccccc1 ZINC000104448939 169279314 /nfs/dbraw/zinc/27/93/14/169279314.db2.gz XCCRGCSXABASSI-ZBFHGGJFSA-N 1 0 247.426 4.800 10 0 BJAERO CCC[NH2+][C@H](C[C@@H](C)C(C)(C)C)c1ccccc1 ZINC000104448942 169289229 /nfs/dbraw/zinc/28/92/29/169289229.db2.gz XCCRGCSXABASSI-GDBMZVCRSA-N 1 0 247.426 4.800 10 0 BJAERO CCC[NH2+][C@@H](C[C@H](C)C(C)(C)C)c1ccccc1 ZINC000104448945 169279606 /nfs/dbraw/zinc/27/96/06/169279606.db2.gz XCCRGCSXABASSI-HOCLYGCPSA-N 1 0 247.426 4.800 10 0 BJAERO CCC[NH2+][C@H](C[C@H](C)C(C)(C)C)c1ccccc1 ZINC000104448948 169288890 /nfs/dbraw/zinc/28/88/90/169288890.db2.gz XCCRGCSXABASSI-GOEBONIOSA-N 1 0 247.426 4.800 10 0 BJAERO C#[N+]c1c(Cl)cc(C(F)(F)F)cc1Cl ZINC000104899398 183317189 /nfs/dbraw/zinc/31/71/89/183317189.db2.gz NWQLBLVPDROPEU-UHFFFAOYSA-N 1 0 240.011 4.563 10 0 BJAERO CCC[NH2+][C@@H]1CC[C@@H](CCC)C[C@H]1CC(C)C ZINC000109665131 169283490 /nfs/dbraw/zinc/28/34/90/169283490.db2.gz GDVOUUOJMOQUFK-BZUAXINKSA-N 1 0 239.447 4.617 10 0 BJAERO CCC[NH2+][C@@H]1CC[C@H](CCC)C[C@H]1CC(C)C ZINC000109665134 169282990 /nfs/dbraw/zinc/28/29/90/169282990.db2.gz GDVOUUOJMOQUFK-ARFHVFGLSA-N 1 0 239.447 4.617 10 0 BJAERO CCCCCCC1(C[NH2+]CCC)CCCCC1 ZINC000110200393 168648097 /nfs/dbraw/zinc/64/80/97/168648097.db2.gz YVRQYADAQLMJNM-UHFFFAOYSA-N 1 0 239.447 4.907 10 0 BJAERO CCC[C@@](C)(C[NH2+]CC(C)C)CC1CCCC1 ZINC000110203783 169448361 /nfs/dbraw/zinc/44/83/61/169448361.db2.gz RPDMCUXSKOJYBP-MRXNPFEDSA-N 1 0 239.447 4.619 10 0 BJAERO CCCCCC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]CCC ZINC000110446000 168676783 /nfs/dbraw/zinc/67/67/83/168676783.db2.gz INNGTFYBIYQIKH-OAGGEKHMSA-N 1 0 239.447 4.761 10 0 BJAERO CCCCCC[C@H]1C[C@@H](C)CC[C@@H]1[NH2+]CCC ZINC000110446008 168680202 /nfs/dbraw/zinc/68/02/02/168680202.db2.gz INNGTFYBIYQIKH-JYJNAYRXSA-N 1 0 239.447 4.761 10 0 BJAERO CCCCCC[C@@H]1C[C@H](C(C)C)CC[C@@H]1[NH2+]C ZINC000110446126 168676375 /nfs/dbraw/zinc/67/63/75/168676375.db2.gz KLIAYDQEELAQBS-OAGGEKHMSA-N 1 0 239.447 4.617 10 0 BJAERO CCCCCC[C@@H]1C[C@@H](C(C)C)CC[C@@H]1[NH2+]C ZINC000110446133 168676202 /nfs/dbraw/zinc/67/62/02/168676202.db2.gz KLIAYDQEELAQBS-XHSDSOJGSA-N 1 0 239.447 4.617 10 0 BJAERO CCCCCC[C@H]1C[C@@H](C(C)C)CC[C@@H]1[NH2+]C ZINC000110446134 168679981 /nfs/dbraw/zinc/67/99/81/168679981.db2.gz KLIAYDQEELAQBS-JYJNAYRXSA-N 1 0 239.447 4.617 10 0 BJAERO CCC(CC)(c1ccccc1)[C@H]([NH3+])CCC(C)C ZINC000110446716 168332305 /nfs/dbraw/zinc/33/23/05/168332305.db2.gz DTBIHQNNZITALQ-MRXNPFEDSA-N 1 0 247.426 4.508 10 0 BJAERO CCC(CC)(c1ccccc1)[C@@H]([NH3+])CCC(C)C ZINC000110446718 168332204 /nfs/dbraw/zinc/33/22/04/168332204.db2.gz DTBIHQNNZITALQ-INIZCTEOSA-N 1 0 247.426 4.508 10 0 BJAERO CCCCCC1(C[NH2+]CC(C)C)CCCCC1 ZINC000110465053 187293276 /nfs/dbraw/zinc/29/32/76/187293276.db2.gz DWZBJPXLVUBTGS-UHFFFAOYSA-N 1 0 239.447 4.763 10 0 BJAERO CCCCC[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1[NH2+]C ZINC000111235573 168741616 /nfs/dbraw/zinc/74/16/16/168741616.db2.gz YOEYHHBPNOUCCV-ILXRZTDVSA-N 1 0 239.447 4.617 10 0 BJAERO CC(C)CCCCCCCCCC[NH+](C)C ZINC000115050408 368343633 /nfs/dbraw/zinc/34/36/33/368343633.db2.gz YGNZEXMLVCBCQY-UHFFFAOYSA-N 1 0 227.436 4.715 10 0 BJAERO Cc1ccc([PH+](C(C)(C)C)C(C)(C)C)cc1 ZINC000138668441 342988764 /nfs/dbraw/zinc/98/87/64/342988764.db2.gz ZYUANKGTKINHSM-UHFFFAOYSA-N 1 0 236.339 4.699 10 0 BJAERO C#[N+]c1cc(Cl)c(Cl)c(Cl)c1Cl ZINC000138890859 385218585 /nfs/dbraw/zinc/21/85/85/385218585.db2.gz MQGVWPNRFZVNHS-UHFFFAOYSA-N 1 0 240.904 4.851 10 0 BJAERO CC(C)(C)[PH+](C(C)(C)C)[Si](C)(C)C ZINC000195938136 343627258 /nfs/dbraw/zinc/62/72/58/343627258.db2.gz YRTUSXQDCPTEKJ-UHFFFAOYSA-N 1 0 218.397 4.900 10 0 BJAERO C#[N+]c1ccccc1-c1ccc(Cl)cc1 ZINC000215471948 349883344 /nfs/dbraw/zinc/88/33/44/349883344.db2.gz QWEAIRFIAWQLQV-UHFFFAOYSA-N 1 0 213.667 4.558 10 0 BJAERO CC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCC[C@H]1CC ZINC000238850838 387936312 /nfs/dbraw/zinc/93/63/12/387936312.db2.gz CXWYZNJUCCUIRB-FPCVCCKLSA-N 1 0 237.431 4.514 10 0 BJAERO CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCCC[C@@H]1CC ZINC000238850839 134849888 /nfs/dbraw/zinc/84/98/88/134849888.db2.gz CXWYZNJUCCUIRB-FZKCQIBNSA-N 1 0 237.431 4.514 10 0 BJAERO CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCCC[C@H]1CC ZINC000238850840 387935943 /nfs/dbraw/zinc/93/59/43/387935943.db2.gz CXWYZNJUCCUIRB-WCVJEAGWSA-N 1 0 237.431 4.514 10 0 BJAERO CC[C@H]1CCCC[N@@H+]1C1=CC[C@@H](C(C)(C)C)CC1 ZINC000242547818 523017355 /nfs/dbraw/zinc/01/73/55/523017355.db2.gz KUHGQWHOJHKCKZ-CABCVRRESA-N 1 0 249.442 4.981 10 0 BJAERO CC[C@@H]1CCCC[N@@H+]1C1=CC[C@@H](C(C)(C)C)CC1 ZINC000242547819 523166859 /nfs/dbraw/zinc/16/68/59/523166859.db2.gz KUHGQWHOJHKCKZ-HUUCEWRRSA-N 1 0 249.442 4.981 10 0 BJAERO CC[C@H]1CC[C@H](CC)[PH+]1C1=CCC=C1 ZINC000504752335 529253935 /nfs/dbraw/zinc/25/39/35/529253935.db2.gz HUBVLFZOWOSGEA-RYUDHWBXSA-N 1 0 208.285 4.663 10 0 BJAERO CC[C@@H]1CC[C@@H](CC)[PH+]1C1=CCC=C1 ZINC000504752336 529338124 /nfs/dbraw/zinc/33/81/24/529338124.db2.gz HUBVLFZOWOSGEA-VXGBXAGGSA-N 1 0 208.285 4.663 10 0 BJAERO CCC[C@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccccc1 ZINC000584595384 358252409 /nfs/dbraw/zinc/25/24/09/358252409.db2.gz LUJPVNUSSBLICZ-BHYGNILZSA-N 1 0 245.410 4.696 10 0 BJAERO CCC[C@H]1CCCC[C@H]1[NH2+][C@H](C)c1ccccc1 ZINC000584595385 358252616 /nfs/dbraw/zinc/25/26/16/358252616.db2.gz LUJPVNUSSBLICZ-HYVNUMGLSA-N 1 0 245.410 4.696 10 0 BJAERO C=C([NH2+]C1CCCCC1)c1ccc(CCC)cc1 ZINC000584595441 358253335 /nfs/dbraw/zinc/25/33/35/358253335.db2.gz TZFGLANNQSTOSO-UHFFFAOYSA-N 1 0 243.394 4.532 10 0 BJAERO CCC[C@@H]1CCC[C@H]1CC[NH2+]C1CCCCC1 ZINC000584600339 358257106 /nfs/dbraw/zinc/25/71/06/358257106.db2.gz GEFPEXURDUFOCW-CABCVRRESA-N 1 0 237.431 4.515 10 0 BJAERO CCC[C@H]1CCC[C@H]1CC[NH2+]C1CCCCC1 ZINC000584600342 358256958 /nfs/dbraw/zinc/25/69/58/358256958.db2.gz GEFPEXURDUFOCW-GJZGRUSLSA-N 1 0 237.431 4.515 10 0 BJAERO CCC[C@@H]1CCC[C@@H]1CC[NH2+]C1CCCCC1 ZINC000584600343 358257151 /nfs/dbraw/zinc/25/71/51/358257151.db2.gz GEFPEXURDUFOCW-HUUCEWRRSA-N 1 0 237.431 4.515 10 0 BJAERO CCC[C@H]1CCC[C@@H]1CC[NH2+]C1CCCCC1 ZINC000584600344 358257006 /nfs/dbraw/zinc/25/70/06/358257006.db2.gz GEFPEXURDUFOCW-LSDHHAIUSA-N 1 0 237.431 4.515 10 0 BJAERO C#[N+]c1cc(Cl)ccc1-c1ccccc1 ZINC000584635859 358320151 /nfs/dbraw/zinc/32/01/51/358320151.db2.gz GOFFXBLWFFCOHM-UHFFFAOYSA-N 1 0 213.667 4.558 10 0 BJAERO C#[N+]c1ccc(Cl)cc1-c1ccccc1 ZINC000584660679 358311914 /nfs/dbraw/zinc/31/19/14/358311914.db2.gz BHHQQGVMLXKMLQ-UHFFFAOYSA-N 1 0 213.667 4.558 10 0 BJAERO CCCCC/C(=C/c1ccccc1)C[NH2+]C(C)C ZINC000606206186 351386229 /nfs/dbraw/zinc/38/62/29/351386229.db2.gz PLPQYDAYKDNROI-LGMDPLHJSA-N 1 0 245.410 4.648 10 0 BJAERO CC(C)(C)[N@@H+]1CCCCC[C@@H]1c1ccc(F)cc1 ZINC000616604570 350793621 /nfs/dbraw/zinc/79/36/21/350793621.db2.gz GBLBICIMQCYYSF-OAHLLOKOSA-N 1 0 249.373 4.541 10 0 BJAERO CC(C)(C)[N@@H+]1CCCCC[C@@H]1c1ccccc1F ZINC000616605714 350795036 /nfs/dbraw/zinc/79/50/36/350795036.db2.gz PEWVUMKBCSVTAW-OAHLLOKOSA-N 1 0 249.373 4.541 10 0 BJAERO CC(C)(C)[N@@H+]1CCCCC[C@@H]1c1cccc(F)c1 ZINC000616606024 350796463 /nfs/dbraw/zinc/79/64/63/350796463.db2.gz VXULCKXLNSIWKI-OAHLLOKOSA-N 1 0 249.373 4.541 10 0 BJAERO CC(C)(C)[N@@H+]1CCCCC[C@H]1c1ccc(F)cc1 ZINC000616624675 351091730 /nfs/dbraw/zinc/09/17/30/351091730.db2.gz GBLBICIMQCYYSF-HNNXBMFYSA-N 1 0 249.373 4.541 10 0 BJAERO CC(C)(C)[N@@H+]1CCCCC[C@H]1c1ccccc1F ZINC000616625530 351094075 /nfs/dbraw/zinc/09/40/75/351094075.db2.gz PEWVUMKBCSVTAW-HNNXBMFYSA-N 1 0 249.373 4.541 10 0 BJAERO CC(C)(C)[N@@H+]1CCCCC[C@H]1c1cccc(F)c1 ZINC000616634048 351116087 /nfs/dbraw/zinc/11/60/87/351116087.db2.gz VXULCKXLNSIWKI-HNNXBMFYSA-N 1 0 249.373 4.541 10 0 BJAERO CCC1(CC)CC[C@H]([NH3+])c2ccc(C(C)C)cc21 ZINC000757189636 586435520 /nfs/dbraw/zinc/43/55/20/586435520.db2.gz SHVRKSBTJMHPCV-INIZCTEOSA-N 1 0 245.410 4.661 10 0 BJAERO CCC1(CC)CC[C@@H]([NH3+])c2ccc(C(C)C)cc21 ZINC000757189650 586435361 /nfs/dbraw/zinc/43/53/61/586435361.db2.gz SHVRKSBTJMHPCV-MRXNPFEDSA-N 1 0 245.410 4.661 10 0 BJAERO