smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=C1CC[NH+](C2CCC2)CC1 306435760 534463108 /nfs/dbraw/zinc/46/31/08/534463108.db2.gz BODBWNKDRZKQNA-UHFFFAOYSA-N 1 0 151.253 2.191 10 30 AEEERO C=C[C@@H](C)[NH2+][C@@H]1CCCSC1 163987154 534512706 /nfs/dbraw/zinc/51/27/06/534512706.db2.gz DIIJAQXGMGLTIH-RKDXNWHRSA-N 1 0 171.309 2.046 10 30 AEEERO CC(C)C[NH+]1CCC(C)(C#N)CC1 227353288 535066153 /nfs/dbraw/zinc/06/61/53/535066153.db2.gz LYVMRQZOLJWZKZ-UHFFFAOYSA-N 1 0 180.295 2.268 10 30 AEEERO CC1(C[NH2+][C@@H]2CC[C@H](C#N)C2)CCC1 306401566 535157192 /nfs/dbraw/zinc/15/71/92/535157192.db2.gz OUSAKIZDWZZVQT-WDEREUQCSA-N 1 0 192.306 2.458 10 30 AEEERO C=C(C)[C@@H]1CCC[C@@H](C)[NH2+]1 675069611 537779953 /nfs/dbraw/zinc/77/99/53/537779953.db2.gz JFQAYQCDSZTIKX-BDAKNGLRSA-N 1 0 139.242 2.093 10 30 AEEERO C=C(C)[C@@H]1CCC[C@H](C)[NH2+]1 675069614 537780367 /nfs/dbraw/zinc/78/03/67/537780367.db2.gz JFQAYQCDSZTIKX-IUCAKERBSA-N 1 0 139.242 2.093 10 30 AEEERO C=C(C)[C@H]1CCC[C@@H](C)[NH2+]1 675069615 537780445 /nfs/dbraw/zinc/78/04/45/537780445.db2.gz JFQAYQCDSZTIKX-RKDXNWHRSA-N 1 0 139.242 2.093 10 30 AEEERO C=C(C)[C@H]1CCC[C@H](C)[NH2+]1 675069613 537782231 /nfs/dbraw/zinc/78/22/31/537782231.db2.gz JFQAYQCDSZTIKX-DTWKUNHWSA-N 1 0 139.242 2.093 10 30 AEEERO C[NH+](C)CCCCC1(C#N)CCC1 675075274 537790767 /nfs/dbraw/zinc/79/07/67/537790767.db2.gz KITOIRVTLIBYCS-UHFFFAOYSA-N 1 0 180.295 2.412 10 30 AEEERO C=C(C)CC[NH+](CC)CC 34153211 537793904 /nfs/dbraw/zinc/79/39/04/537793904.db2.gz HFHXFYLGPYSQIZ-UHFFFAOYSA-N 1 0 141.258 2.294 10 30 AEEERO C#CC1([NH3+])CCC(C(C)C)CC1 685948122 537823372 /nfs/dbraw/zinc/82/33/72/537823372.db2.gz YGLSVKMQFJZZGP-UHFFFAOYSA-N 1 0 165.280 2.163 10 30 AEEERO C#CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 685950761 537828302 /nfs/dbraw/zinc/82/83/02/537828302.db2.gz YKTGPMOGQRSSET-GHMZBOCLSA-N 1 0 179.307 2.376 10 30 AEEERO C#CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 685950405 537828718 /nfs/dbraw/zinc/82/87/18/537828718.db2.gz OQYYFDSPCGSNOR-SNVBAGLBSA-N 1 0 165.280 2.130 10 30 AEEERO C#CC(C)(C)[NH+]1CCC(C)CC1 685950744 537828836 /nfs/dbraw/zinc/82/88/36/537828836.db2.gz XTPQPRSOICKCES-UHFFFAOYSA-N 1 0 165.280 2.130 10 30 AEEERO C#CC(C)(C)[N@@H+]1CCC[C@H](C)C1 685950404 537829287 /nfs/dbraw/zinc/82/92/87/537829287.db2.gz OQYYFDSPCGSNOR-JTQLQIEISA-N 1 0 165.280 2.130 10 30 AEEERO C#CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 685950763 537829912 /nfs/dbraw/zinc/82/99/12/537829912.db2.gz YKTGPMOGQRSSET-QWRGUYRKSA-N 1 0 179.307 2.376 10 30 AEEERO C#CC(C)(C)[N@H+]1C[C@@H](C)C[C@@H](C)C1 685950762 537829987 /nfs/dbraw/zinc/82/99/87/537829987.db2.gz YKTGPMOGQRSSET-PHIMTYICSA-N 1 0 179.307 2.376 10 30 AEEERO C#CC[NH+](CC(C)C)CC(C)C 41636069 537838663 /nfs/dbraw/zinc/83/86/63/537838663.db2.gz HIHBTCFSBVQNKV-UHFFFAOYSA-N 1 0 167.296 2.234 10 30 AEEERO C=CC[NH2+]CCCC(C)C 50522007 537861935 /nfs/dbraw/zinc/86/19/35/537861935.db2.gz HFJIBBRTUHXMKY-UHFFFAOYSA-N 1 0 141.258 2.198 10 30 AEEERO C=C(OCC)C1CCC([NH3+])CC1 685964885 537872888 /nfs/dbraw/zinc/87/28/88/537872888.db2.gz FSCZRVDDMUBETP-UHFFFAOYSA-N 1 0 169.268 2.054 10 30 AEEERO C=C(OCC)C1CCC([NH2+]C)CC1 685965216 537876270 /nfs/dbraw/zinc/87/62/70/537876270.db2.gz UJHHMKNXHFPFQN-UHFFFAOYSA-N 1 0 183.295 2.315 10 30 AEEERO CCCCCCC[C@@H](O)[C@@H](C)C[NH3+] 114419571 537966247 /nfs/dbraw/zinc/96/62/47/537966247.db2.gz HFXBLACEJYRTIZ-WDEREUQCSA-N 1 0 187.327 2.303 10 30 AEEERO CCCCCCC[C@@H](O)[C@H](C)C[NH3+] 114419576 537967199 /nfs/dbraw/zinc/96/71/99/537967199.db2.gz HFXBLACEJYRTIZ-GHMZBOCLSA-N 1 0 187.327 2.303 10 30 AEEERO CCCCCCC[C@H](O)[C@H](C)C[NH3+] 114419573 537967786 /nfs/dbraw/zinc/96/77/86/537967786.db2.gz HFXBLACEJYRTIZ-MNOVXSKESA-N 1 0 187.327 2.303 10 30 AEEERO CCCCCCC[C@H](O)[C@@H](C)C[NH3+] 114419568 537968097 /nfs/dbraw/zinc/96/80/97/537968097.db2.gz HFXBLACEJYRTIZ-QWRGUYRKSA-N 1 0 187.327 2.303 10 30 AEEERO CCCCCCC[C@@H](O)CC[NH3+] 114419360 537969040 /nfs/dbraw/zinc/96/90/40/537969040.db2.gz DXWDYTPDQSWXOP-SNVBAGLBSA-N 1 0 173.300 2.057 10 30 AEEERO CCCCCCC[C@H](O)CC[NH3+] 114419357 537969047 /nfs/dbraw/zinc/96/90/47/537969047.db2.gz DXWDYTPDQSWXOP-JTQLQIEISA-N 1 0 173.300 2.057 10 30 AEEERO C=CC[C@H](C)[NH2+]Cc1ccn(C)c1 160685294 538049439 /nfs/dbraw/zinc/04/94/39/538049439.db2.gz BVVLFTPECLATJM-JTQLQIEISA-N 1 0 178.279 2.079 10 30 AEEERO C=CC[C@@H](C)[NH2+]Cc1ccn(C)c1 160685418 538050091 /nfs/dbraw/zinc/05/00/91/538050091.db2.gz BVVLFTPECLATJM-SNVBAGLBSA-N 1 0 178.279 2.079 10 30 AEEERO C=C[C@H](C)[NH2+][C@H](C)c1ccncc1 161237379 538058281 /nfs/dbraw/zinc/05/82/81/538058281.db2.gz BUHAFGCQIYRYIJ-VHSXEESVSA-N 1 0 176.263 2.307 10 30 AEEERO C=C[C@@H](C)[NH2+][C@@H](C)c1ccncc1 161237278 538058555 /nfs/dbraw/zinc/05/85/55/538058555.db2.gz BUHAFGCQIYRYIJ-ZJUUUORDSA-N 1 0 176.263 2.307 10 30 AEEERO C=C[C@@H](C)[NH2+][C@H](C)c1ccncc1 161237481 538061015 /nfs/dbraw/zinc/06/10/15/538061015.db2.gz BUHAFGCQIYRYIJ-NXEZZACHSA-N 1 0 176.263 2.307 10 30 AEEERO C=C[C@H](C)[NH2+][C@@H](C)c1ccncc1 161237176 538061497 /nfs/dbraw/zinc/06/14/97/538061497.db2.gz BUHAFGCQIYRYIJ-UWVGGRQHSA-N 1 0 176.263 2.307 10 30 AEEERO C=C(C)C[NH2+]Cc1ccccc1O 162954357 538076799 /nfs/dbraw/zinc/07/67/99/538076799.db2.gz NCGQUSYAVCEKNG-UHFFFAOYSA-N 1 0 177.247 2.058 10 30 AEEERO C=CC[C@H](C)[NH2+][C@H]1CCCSC1 163990421 538135661 /nfs/dbraw/zinc/13/56/61/538135661.db2.gz WSNDFCQBBNOIGK-UWVGGRQHSA-N 1 0 185.336 2.436 10 30 AEEERO C=CC[C@@H](C)[NH2+][C@@H]1CCCSC1 163990337 538136162 /nfs/dbraw/zinc/13/61/62/538136162.db2.gz WSNDFCQBBNOIGK-NXEZZACHSA-N 1 0 185.336 2.436 10 30 AEEERO C=CC[C@@H](C)[NH2+][C@H]1CCCSC1 163990485 538137052 /nfs/dbraw/zinc/13/70/52/538137052.db2.gz WSNDFCQBBNOIGK-ZJUUUORDSA-N 1 0 185.336 2.436 10 30 AEEERO C=CC[C@H](C)[NH2+][C@@H]1CCCSC1 163990267 538137062 /nfs/dbraw/zinc/13/70/62/538137062.db2.gz WSNDFCQBBNOIGK-VHSXEESVSA-N 1 0 185.336 2.436 10 30 AEEERO C=C(C)CC[N@@H+](C)CC1(O)CCCC1 164526432 538144822 /nfs/dbraw/zinc/14/48/22/538144822.db2.gz AFCWWXZEIGBNQI-UHFFFAOYSA-N 1 0 197.322 2.190 10 30 AEEERO C=CCCC[NH2+]C[C@H]1C[C@H]1C 166910176 538164242 /nfs/dbraw/zinc/16/42/42/538164242.db2.gz PDIUQDHUYPFCKJ-NXEZZACHSA-N 1 0 153.269 2.198 10 30 AEEERO C=CCCC[NH2+]C[C@H]1C[C@@H]1C 166910290 538164594 /nfs/dbraw/zinc/16/45/94/538164594.db2.gz PDIUQDHUYPFCKJ-VHSXEESVSA-N 1 0 153.269 2.198 10 30 AEEERO C=CCCC[NH2+]C[C@@H]1C[C@@H]1C 166910499 538165453 /nfs/dbraw/zinc/16/54/53/538165453.db2.gz PDIUQDHUYPFCKJ-UWVGGRQHSA-N 1 0 153.269 2.198 10 30 AEEERO C=CCCC[NH2+]C[C@@H]1C[C@H]1C 166910403 538165785 /nfs/dbraw/zinc/16/57/85/538165785.db2.gz PDIUQDHUYPFCKJ-ZJUUUORDSA-N 1 0 153.269 2.198 10 30 AEEERO C=CCCC[NH2+]Cc1cnccc1C 167254251 538169125 /nfs/dbraw/zinc/16/91/25/538169125.db2.gz ZLXIETMRVXVFEJ-UHFFFAOYSA-N 1 0 190.290 2.446 10 30 AEEERO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCCOC1 167410613 538170757 /nfs/dbraw/zinc/17/07/57/538170757.db2.gz BGZSKZVULXIRID-QJPTWQEYSA-N 1 0 197.322 2.356 10 30 AEEERO C=CCC[C@H](CC)[NH2+][C@H]1CCCOC1 167414777 538171196 /nfs/dbraw/zinc/17/11/96/538171196.db2.gz KMJFBCQLGCHIOU-RYUDHWBXSA-N 1 0 197.322 2.500 10 30 AEEERO C=CCC[C@@H](CC)[NH2+][C@@H]1CCCOC1 167414682 538171242 /nfs/dbraw/zinc/17/12/42/538171242.db2.gz KMJFBCQLGCHIOU-VXGBXAGGSA-N 1 0 197.322 2.500 10 30 AEEERO C=CCC[C@@H](CC)[NH2+][C@H]1CCCOC1 167414872 538173266 /nfs/dbraw/zinc/17/32/66/538173266.db2.gz KMJFBCQLGCHIOU-NEPJUHHUSA-N 1 0 197.322 2.500 10 30 AEEERO C=C(C)C[NH2+][C@H]1CCCC[C@@H]1OC 167464829 538171769 /nfs/dbraw/zinc/17/17/69/538171769.db2.gz YTHRUICYXVZSIF-QWRGUYRKSA-N 1 0 183.295 2.110 10 30 AEEERO C=C(C)C[NH2+][C@H]1CCC[C@@H](OC)C1 167538913 538172247 /nfs/dbraw/zinc/17/22/47/538172247.db2.gz HTSDDOUQDPQYGY-WDEREUQCSA-N 1 0 183.295 2.110 10 30 AEEERO C=C(C)C[NH2+][C@H](CC)C1CC1 167469713 538172284 /nfs/dbraw/zinc/17/22/84/538172284.db2.gz BASYMHFAFQBEAX-SNVBAGLBSA-N 1 0 153.269 2.341 10 30 AEEERO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCCOC1 167410813 538172380 /nfs/dbraw/zinc/17/23/80/538172380.db2.gz BGZSKZVULXIRID-SDDRHHMPSA-N 1 0 197.322 2.356 10 30 AEEERO C=C(C)C[NH2+][C@@H](CC)C1CC1 167469607 538172634 /nfs/dbraw/zinc/17/26/34/538172634.db2.gz BASYMHFAFQBEAX-JTQLQIEISA-N 1 0 153.269 2.341 10 30 AEEERO C=CC[C@@H](C)[C@@H](C)[NH2+][C@@H]1CCCOC1 167410709 538172815 /nfs/dbraw/zinc/17/28/15/538172815.db2.gz BGZSKZVULXIRID-IJLUTSLNSA-N 1 0 197.322 2.356 10 30 AEEERO C=C(C)C[NH2+][C@@H]1CCC[C@@H](OC)C1 167538810 538172849 /nfs/dbraw/zinc/17/28/49/538172849.db2.gz HTSDDOUQDPQYGY-GHMZBOCLSA-N 1 0 183.295 2.110 10 30 AEEERO C=CC[C@@H](C)[C@H](C)[NH2+][C@@H]1CCCOC1 167410914 538173193 /nfs/dbraw/zinc/17/31/93/538173193.db2.gz BGZSKZVULXIRID-GRYCIOLGSA-N 1 0 197.322 2.356 10 30 AEEERO C=C(C)CN[C@@H](C)c1cscn1 167463836 538173018 /nfs/dbraw/zinc/17/30/18/538173018.db2.gz CKKAFRFMRTYTGE-QMMMGPOBSA-N 1 0 182.292 2.370 10 30 AEEERO C=C(C)C[NH2+][C@H]1CCC[C@H](OC)C1 167538701 538173159 /nfs/dbraw/zinc/17/31/59/538173159.db2.gz HTSDDOUQDPQYGY-QWRGUYRKSA-N 1 0 183.295 2.110 10 30 AEEERO C=C(C)CN[C@H](C)c1cscn1 167463939 538173229 /nfs/dbraw/zinc/17/32/29/538173229.db2.gz CKKAFRFMRTYTGE-MRVPVSSYSA-N 1 0 182.292 2.370 10 30 AEEERO C=CCC[C@H](CC)[NH2+][C@@H]1CCCOC1 167414595 538173354 /nfs/dbraw/zinc/17/33/54/538173354.db2.gz KMJFBCQLGCHIOU-NWDGAFQWSA-N 1 0 197.322 2.500 10 30 AEEERO C=C(C)C[NH2+][C@@H]1CCC[C@H](OC)C1 167538595 538173596 /nfs/dbraw/zinc/17/35/96/538173596.db2.gz HTSDDOUQDPQYGY-MNOVXSKESA-N 1 0 183.295 2.110 10 30 AEEERO C=CC[NH+](CC=C)Cc1cccn1C 168253328 538177793 /nfs/dbraw/zinc/17/77/93/538177793.db2.gz HYQXZWKYLNUANU-UHFFFAOYSA-N 1 0 190.290 2.199 10 30 AEEERO C=CCC[NH2+][C@H]1CCCC[C@@H]1OC 168540886 538178303 /nfs/dbraw/zinc/17/83/03/538178303.db2.gz HDWLFHWJASVJCR-QWRGUYRKSA-N 1 0 183.295 2.110 10 30 AEEERO C=CC[C@H](C)[NH2+]Cc1cnccc1C 169139693 538180113 /nfs/dbraw/zinc/18/01/13/538180113.db2.gz NMAULMSHWQCDET-NSHDSACASA-N 1 0 190.290 2.444 10 30 AEEERO C=CC[C@@H](C)[NH2+]Cc1cnccc1C 169139752 538180768 /nfs/dbraw/zinc/18/07/68/538180768.db2.gz NMAULMSHWQCDET-LLVKDONJSA-N 1 0 190.290 2.444 10 30 AEEERO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCO[C@@H]1C 222687426 538195627 /nfs/dbraw/zinc/19/56/27/538195627.db2.gz QTYVLQDTIFQLSL-IRCOFANPSA-N 1 0 197.322 2.354 10 30 AEEERO C=CC[C@@H](C)[C@H](C)[NH2+][C@@H]1CCO[C@@H]1C 222687484 538195897 /nfs/dbraw/zinc/19/58/97/538195897.db2.gz QTYVLQDTIFQLSL-WRWGMCAJSA-N 1 0 197.322 2.354 10 30 AEEERO C=CC[C@@H](C)[C@@H](C)[NH2+][C@@H]1CCO[C@@H]1C 222687364 538196387 /nfs/dbraw/zinc/19/63/87/538196387.db2.gz QTYVLQDTIFQLSL-DDHJBXDOSA-N 1 0 197.322 2.354 10 30 AEEERO C=CCCC[N@@H+](C)C(C)C 222711831 538196607 /nfs/dbraw/zinc/19/66/07/538196607.db2.gz FAIJIJHGMULWPM-UHFFFAOYSA-N 1 0 141.258 2.293 10 30 AEEERO C=CCC[NH2+][C@H](C)c1ncc(C)o1 230645514 538210012 /nfs/dbraw/zinc/21/00/12/538210012.db2.gz YYSZXECZBDKGDO-SECBINFHSA-N 1 0 180.251 2.210 10 30 AEEERO C=CCC[NH2+][C@@H](C)c1ncc(C)o1 230645507 538212590 /nfs/dbraw/zinc/21/25/90/538212590.db2.gz YYSZXECZBDKGDO-VIFPVBQESA-N 1 0 180.251 2.210 10 30 AEEERO C=CCC[C@H](C)[NH2+][C@H](C)c1cn[nH]c1 230669621 538213556 /nfs/dbraw/zinc/21/35/56/538213556.db2.gz UFSCKRKIVHZWPV-VHSXEESVSA-N 1 0 193.294 2.415 10 30 AEEERO C=CCC[C@H](C)[NH2+]CC[C@@H]1CCOC1 230672552 538213873 /nfs/dbraw/zinc/21/38/73/538213873.db2.gz DCMAQNQUYUPDDP-NWDGAFQWSA-N 1 0 197.322 2.357 10 30 AEEERO C=CCC[C@@H](C)[NH2+][C@@H](C)c1cn[nH]c1 230669609 538214424 /nfs/dbraw/zinc/21/44/24/538214424.db2.gz UFSCKRKIVHZWPV-ZJUUUORDSA-N 1 0 193.294 2.415 10 30 AEEERO C=CCC[C@H](C)[NH2+][C@@H](C)c1cn[nH]c1 230669614 538214610 /nfs/dbraw/zinc/21/46/10/538214610.db2.gz UFSCKRKIVHZWPV-UWVGGRQHSA-N 1 0 193.294 2.415 10 30 AEEERO C=CCC[C@@H](C)[NH2+]CC[C@H]1CCOC1 230672556 538214746 /nfs/dbraw/zinc/21/47/46/538214746.db2.gz DCMAQNQUYUPDDP-NEPJUHHUSA-N 1 0 197.322 2.357 10 30 AEEERO C=CCC[C@H](C)[NH2+]CC[C@H]1CCOC1 230672558 538215175 /nfs/dbraw/zinc/21/51/75/538215175.db2.gz 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ROJRLUATPVALAM-UHFFFAOYSA-N 1 0 191.249 2.247 10 30 AEEERO C#C[C@H]([NH2+]C)[C@H](C)CCCC 300888400 572022383 /nfs/dbraw/zinc/02/23/83/572022383.db2.gz HEDFWIBMSVOOCM-ZJUUUORDSA-N 1 0 153.269 2.034 10 30 AEEERO C#CCC[C@@H](CCC)[NH2+]CC 82498078 572031422 /nfs/dbraw/zinc/03/14/22/572031422.db2.gz YNIPFKHNWXBCBX-SNVBAGLBSA-N 1 0 153.269 2.178 10 30 AEEERO C#CCC[C@H]([NH3+])Cc1ccccc1F 82498242 572031436 /nfs/dbraw/zinc/03/14/36/572031436.db2.gz DBPDDDKHEVIYDT-NSHDSACASA-N 1 0 191.249 2.109 10 30 AEEERO C#CCC[C@H]([NH2+]CCC)C1CC1 82498094 572031524 /nfs/dbraw/zinc/03/15/24/572031524.db2.gz LUUDNEVIALSDGM-NSHDSACASA-N 1 0 165.280 2.178 10 30 AEEERO C=CCN(CC=C)C[C@@H]([NH3+])CCCC 37480767 572154236 /nfs/dbraw/zinc/15/42/36/572154236.db2.gz APCSAIHZSTWTTN-LBPRGKRZSA-N 1 0 196.338 2.178 10 30 AEEERO CC[C@H]([NH2+][C@@H](C)CC#N)C(C)C 42588826 572039909 /nfs/dbraw/zinc/03/99/09/572039909.db2.gz VKOMBFHCKDJCAZ-UWVGGRQHSA-N 1 0 168.284 2.313 10 30 AEEERO C#C[C@@H](CC)[NH2+][C@H]1CCCSCC1 642867111 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HNVMAIGPGGTIOH-NSHDSACASA-N 1 0 199.338 2.338 10 30 AEEERO C=CCOCC[N@@H+]1C[C@H]2CCCC[C@H]21 1195833653 761706811 /nfs/dbraw/zinc/70/68/11/761706811.db2.gz GQUQJQNGRNHSHI-VXGBXAGGSA-N 1 0 195.306 2.063 10 30 AEEERO C=CCC[C@H]1CCC[N@H+]1CC 1198405883 761714279 /nfs/dbraw/zinc/71/42/79/761714279.db2.gz BVOMRYFPGVLWER-JTQLQIEISA-N 1 0 153.269 2.437 10 30 AEEERO C=CCC[C@@H]1CCC[N@H+]1CC 1198405884 761715815 /nfs/dbraw/zinc/71/58/15/761715815.db2.gz BVOMRYFPGVLWER-SNVBAGLBSA-N 1 0 153.269 2.437 10 30 AEEERO C=CCC[NH2+]C1([C@H]2CCCO2)CCC1 1198704423 761716985 /nfs/dbraw/zinc/71/69/85/761716985.db2.gz AVMICYNYISNYSX-LLVKDONJSA-N 1 0 195.306 2.254 10 30 AEEERO C=C(C)C[NH2+]C1([C@H]2CCCO2)CCC1 1198707165 761718757 /nfs/dbraw/zinc/71/87/57/761718757.db2.gz SEFYZRCOPLDMLY-LLVKDONJSA-N 1 0 195.306 2.254 10 30 AEEERO C=C(C)C[NH2+]C1([C@@H]2CCCO2)CCC1 1198707166 761719810 /nfs/dbraw/zinc/71/98/10/761719810.db2.gz SEFYZRCOPLDMLY-NSHDSACASA-N 1 0 195.306 2.254 10 30 AEEERO C=CCC[NH2+]C1([C@@H]2CCCO2)CCC1 1198704426 761720091 /nfs/dbraw/zinc/72/00/91/761720091.db2.gz AVMICYNYISNYSX-NSHDSACASA-N 1 0 195.306 2.254 10 30 AEEERO C=C(C)C[N@H+]1C[C@@H](C)OCC[C@H]1C 1198761912 761721438 /nfs/dbraw/zinc/72/14/38/761721438.db2.gz SNNUVZOQYSVDCZ-GHMZBOCLSA-N 1 0 183.295 2.062 10 30 AEEERO C=CC[NH2+]Cc1cc(O)cc(Cl)c1 1199060399 761722139 /nfs/dbraw/zinc/72/21/39/761722139.db2.gz TUKIGRIWRKHURY-UHFFFAOYSA-N 1 0 197.665 2.321 10 30 AEEERO C=C(C)CC[N@H+]1C[C@@H](C)OCC[C@H]1C 1198762082 761722496 /nfs/dbraw/zinc/72/24/96/761722496.db2.gz WWOOSTTXECBGEF-VXGBXAGGSA-N 1 0 197.322 2.452 10 30 AEEERO C=CC[NH2+]Cc1cc2cccnc2o1 1199059660 761724005 /nfs/dbraw/zinc/72/40/05/761724005.db2.gz CLKKNZDLGRMWSF-UHFFFAOYSA-N 1 0 188.230 2.103 10 30 AEEERO C=CC[NH2+]Cc1cc2cnccc2o1 1199059580 761724827 /nfs/dbraw/zinc/72/48/27/761724827.db2.gz ALUAAGOSXIVQJY-UHFFFAOYSA-N 1 0 188.230 2.103 10 30 AEEERO CCCCC[NH+]1CC(CC#N)C1 1201724935 761806985 /nfs/dbraw/zinc/80/69/85/761806985.db2.gz FVLSLCPRMJDYGG-UHFFFAOYSA-N 1 0 166.268 2.022 10 30 AEEERO CCCCCC[NH+]1CC(CC#N)C1 1201743540 761809835 /nfs/dbraw/zinc/80/98/35/761809835.db2.gz SWTAYGYVUAFLFU-UHFFFAOYSA-N 1 0 180.295 2.412 10 30 AEEERO C=CC[N@H+](C)CCCC(F)(F)F 1202424528 761817922 /nfs/dbraw/zinc/81/79/22/761817922.db2.gz IWZIYAQPTLFWJN-UHFFFAOYSA-N 1 0 181.201 2.447 10 30 AEEERO C=CC[C@H]1CC[C@@H]([NH2+][C@H]2CCOC2)C1 1204058084 761851689 /nfs/dbraw/zinc/85/16/89/761851689.db2.gz VJKISPYKUZVJNC-TUAOUCFPSA-N 1 0 195.306 2.110 10 30 AEEERO C=CC[C@H]1CC[C@H]([NH2+][C@H]2CCOC2)C1 1204058083 761851840 /nfs/dbraw/zinc/85/18/40/761851840.db2.gz VJKISPYKUZVJNC-SRVKXCTJSA-N 1 0 195.306 2.110 10 30 AEEERO C=CCCCC[N@H+]1CCC[C@H]([NH3+])CC1 1205094794 761897886 /nfs/dbraw/zinc/89/78/86/761897886.db2.gz POPYZPBGHXFVDX-LBPRGKRZSA-N 1 0 196.338 2.156 10 30 AEEERO C=CCCCC[N@H+]1CCC[C@@H]([NH3+])CC1 1205094793 761898177 /nfs/dbraw/zinc/89/81/77/761898177.db2.gz POPYZPBGHXFVDX-GFCCVEGCSA-N 1 0 196.338 2.156 10 30 AEEERO C#CC[N@@H+](C)Cc1ccc2[nH]ccc2c1 1205598355 761969820 /nfs/dbraw/zinc/96/98/20/761969820.db2.gz CJWYNTXDRMNZOM-UHFFFAOYSA-N 1 0 198.269 2.233 10 30 AEEERO C=CCCCC[N@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 1205862859 762011191 /nfs/dbraw/zinc/01/11/91/762011191.db2.gz AJMRWMOMATZIIA-NEPJUHHUSA-N 1 0 196.338 2.012 10 30 AEEERO C=C(CC)C[NH2+]Cc1ncccc1F 1206288940 762074340 /nfs/dbraw/zinc/07/43/40/762074340.db2.gz XVXICYWBSKPLJV-UHFFFAOYSA-N 1 0 194.253 2.277 10 30 AEEERO C=C[C@@H]1OCC[C@H]1C[NH2+]CCC(C)C 1206358895 762079636 /nfs/dbraw/zinc/07/96/36/762079636.db2.gz XYRQEOALXATJRB-RYUDHWBXSA-N 1 0 197.322 2.213 10 30 AEEERO C#CCN(C)Cc1cc(Cl)cs1 1207711433 762165754 /nfs/dbraw/zinc/16/57/54/762165754.db2.gz FXLZDDLHSLXCGE-UHFFFAOYSA-N 1 0 199.706 2.467 10 30 AEEERO C=CCC[C@H](C)[NH2+][C@@H]1C[C@@H]2CC[C@H]1O2 1207862168 762173425 /nfs/dbraw/zinc/17/34/25/762173425.db2.gz SZPYOZXNBRYQQQ-NNYUYHANSA-N 1 0 195.306 2.251 10 30 AEEERO C=CCC[C@@H](C)[NH2+][C@@H]1C[C@@H]2CC[C@H]1O2 1207862169 762177356 /nfs/dbraw/zinc/17/73/56/762177356.db2.gz SZPYOZXNBRYQQQ-WRWGMCAJSA-N 1 0 195.306 2.251 10 30 AEEERO C=CC[N@H+](C)CCc1cccc(F)c1 1208197629 762230407 /nfs/dbraw/zinc/23/04/07/762230407.db2.gz QBGGDDWWUMDJEC-UHFFFAOYSA-N 1 0 193.265 2.486 10 30 AEEERO C=CCCC[N@@H+]1CC[C@@H]2CCO[C@H]2C1 1209158950 762282137 /nfs/dbraw/zinc/28/21/37/762282137.db2.gz XDJFUAAYLXRDOB-NEPJUHHUSA-N 1 0 195.306 2.063 10 30 AEEERO C=CC[N@H+](C)CCCc1cccnc1 1209180223 762282986 /nfs/dbraw/zinc/28/29/86/762282986.db2.gz RSPTVBDYJKEHHG-UHFFFAOYSA-N 1 0 190.290 2.132 10 30 AEEERO C=CCCCC[N@H+]1CCCC[C@@H](O)C1 1209201394 762283068 /nfs/dbraw/zinc/28/30/68/762283068.db2.gz KVVJVHLYTMQEIY-GFCCVEGCSA-N 1 0 197.322 2.190 10 30 AEEERO C=CCCCC[N@@H+](CC)CCN(C)C 1209200772 762283335 /nfs/dbraw/zinc/28/33/35/762283335.db2.gz HULPFHRTOJUVEO-UHFFFAOYSA-N 1 0 198.354 2.226 10 30 AEEERO C=CCCCC[NH+]1CC(OCC)C1 1209200076 762284616 /nfs/dbraw/zinc/28/46/16/762284616.db2.gz BEMFQQIPDLNVNS-UHFFFAOYSA-N 1 0 183.295 2.063 10 30 AEEERO C=CCCCC[N@@H+]1CCCC(=O)CC1 1209200962 762286137 /nfs/dbraw/zinc/28/61/37/762286137.db2.gz QXUMVGVBLYOEQK-UHFFFAOYSA-N 1 0 195.306 2.398 10 30 AEEERO C=CCCCC[N@H+]1CC[C@@H](C)[C@@H](O)C1 1209201757 762287042 /nfs/dbraw/zinc/28/70/42/762287042.db2.gz QOYPGWKIBOCUNC-NEPJUHHUSA-N 1 0 197.322 2.045 10 30 AEEERO C=CCCCC[N@H+]1CC[C@H](O)C[C@@H]1C 1209204370 762287035 /nfs/dbraw/zinc/28/70/35/762287035.db2.gz CRFWEBHURWFLRM-RYUDHWBXSA-N 1 0 197.322 2.188 10 30 AEEERO C=CCCCC[N@@H+](C)C1(C)COC1 1209204951 762287196 /nfs/dbraw/zinc/28/71/96/762287196.db2.gz MXILHECLZDFWFF-UHFFFAOYSA-N 1 0 183.295 2.063 10 30 AEEERO C=CCCCC[N@H+]1CC[C@H](C(C)=O)C1 1209206977 762287381 /nfs/dbraw/zinc/28/73/81/762287381.db2.gz FOLXAHQHHJNREZ-LBPRGKRZSA-N 1 0 195.306 2.254 10 30 AEEERO C=CCCCC[NH+]1CC2(CSC2)C1 1209207702 762287422 /nfs/dbraw/zinc/28/74/22/762287422.db2.gz CIDOQZNKFGONHB-UHFFFAOYSA-N 1 0 197.347 2.392 10 30 AEEERO C=CCCCC[N@@H+]1CC[C@]12CCOC2 1209208636 762287442 /nfs/dbraw/zinc/28/74/42/762287442.db2.gz VRFLPTLEXGUIDD-GFCCVEGCSA-N 1 0 195.306 2.208 10 30 AEEERO C=CCCCC[NH+]1CC=CC1 1209201910 762287605 /nfs/dbraw/zinc/28/76/05/762287605.db2.gz YVEHANCZHUHYMC-UHFFFAOYSA-N 1 0 151.253 2.215 10 30 AEEERO C=CCCCC[NH+]1CC(OCCC)C1 1209202643 762288289 /nfs/dbraw/zinc/28/82/89/762288289.db2.gz MGGBYCSSPVQIEK-UHFFFAOYSA-N 1 0 197.322 2.454 10 30 AEEERO C=CCCCC[NH+]1CC(OC(C)C)C1 1209207411 762288589 /nfs/dbraw/zinc/28/85/89/762288589.db2.gz XVRPNDSHXSWRBR-UHFFFAOYSA-N 1 0 197.322 2.452 10 30 AEEERO C=CCCCC[N@@H+]1CCOC2(CC2)C1 1209208018 762288733 /nfs/dbraw/zinc/28/87/33/762288733.db2.gz JKBZLBSCMCOCPL-UHFFFAOYSA-N 1 0 195.306 2.208 10 30 AEEERO C=CCCCC[NH+]1CC(C)(OC)C1 1209201821 762289236 /nfs/dbraw/zinc/28/92/36/762289236.db2.gz UJLBZLAJPBGZEH-UHFFFAOYSA-N 1 0 183.295 2.063 10 30 AEEERO C=CCCCC[NH+]1CC(CC#N)C1 1209201769 762290137 /nfs/dbraw/zinc/29/01/37/762290137.db2.gz RKYSBBFSMHRXEH-UHFFFAOYSA-N 1 0 178.279 2.188 10 30 AEEERO C=CCCCC[N@H+]1CC[C@@H]1C 1209201751 762290243 /nfs/dbraw/zinc/29/02/43/762290243.db2.gz QLQFUULFSQDWNE-JTQLQIEISA-N 1 0 153.269 2.437 10 30 AEEERO C=CCCCC[N@@H+]1C[C@@H]2CCO[C@@H]2C1 1209204392 762290272 /nfs/dbraw/zinc/29/02/72/762290272.db2.gz DDNLKUMRACELGD-NWDGAFQWSA-N 1 0 195.306 2.063 10 30 AEEERO C=CCCCCN1CCCC(=O)C1 1209205008 762290339 /nfs/dbraw/zinc/29/03/39/762290339.db2.gz OMZLWNASUKQMFC-UHFFFAOYSA-N 1 0 181.279 2.008 10 30 AEEERO C=CCCCC[N@H+]1CCCC[C@H](O)C1 1209201396 762290383 /nfs/dbraw/zinc/29/03/83/762290383.db2.gz KVVJVHLYTMQEIY-LBPRGKRZSA-N 1 0 197.322 2.190 10 30 AEEERO C=CCCCC[N@H+]1CC[C@H](O)C[C@H]1C 1209204365 762290387 /nfs/dbraw/zinc/29/03/87/762290387.db2.gz CRFWEBHURWFLRM-NEPJUHHUSA-N 1 0 197.322 2.188 10 30 AEEERO C=CCCCC[N@H+]1CC[C@@H](C(C)=O)C1 1209206976 762290561 /nfs/dbraw/zinc/29/05/61/762290561.db2.gz FOLXAHQHHJNREZ-GFCCVEGCSA-N 1 0 195.306 2.254 10 30 AEEERO C=CCCCC[N@H+]1CC[C@@H](O)C[C@@H]1C 1209204368 762290593 /nfs/dbraw/zinc/29/05/93/762290593.db2.gz CRFWEBHURWFLRM-NWDGAFQWSA-N 1 0 197.322 2.188 10 30 AEEERO C=CCCCC[N@@H+]1CC[C@@]12CCOC2 1209208637 762290697 /nfs/dbraw/zinc/29/06/97/762290697.db2.gz VRFLPTLEXGUIDD-LBPRGKRZSA-N 1 0 195.306 2.208 10 30 AEEERO C=CCCCC[NH+]1CC(C)C1 1209201584 762291343 /nfs/dbraw/zinc/29/13/43/762291343.db2.gz OLHJDVYDOHNKHT-UHFFFAOYSA-N 1 0 153.269 2.294 10 30 AEEERO C=CCCCC[N@H+]1CC[C@@H](C)[C@H](O)C1 1209201758 762291395 /nfs/dbraw/zinc/29/13/95/762291395.db2.gz QOYPGWKIBOCUNC-VXGBXAGGSA-N 1 0 197.322 2.045 10 30 AEEERO C=CCCCC[N@H+]1CC[C@H]1C 1209201752 762291403 /nfs/dbraw/zinc/29/14/03/762291403.db2.gz QLQFUULFSQDWNE-SNVBAGLBSA-N 1 0 153.269 2.437 10 30 AEEERO C=CCCCC[N@H+]1CCC[C@H]1C(C)=O 1209208180 762291410 /nfs/dbraw/zinc/29/14/10/762291410.db2.gz LPJGCQPLSKHUEJ-LBPRGKRZSA-N 1 0 195.306 2.396 10 30 AEEERO C=CCCCC[N@H+]1CC[C@@H](OCC)C1 1209207330 762292205 /nfs/dbraw/zinc/29/22/05/762292205.db2.gz TXEHLGAIIXYDHY-GFCCVEGCSA-N 1 0 197.322 2.454 10 30 AEEERO C=CCCCC[NH+]1CC2(CCCO2)C1 1209201570 762292286 /nfs/dbraw/zinc/29/22/86/762292286.db2.gz OFHCUXQKTUOEHL-UHFFFAOYSA-N 1 0 195.306 2.208 10 30 AEEERO C=CCCCC[N@H+]1CC[C@@H](CO)[C@H]1C 1209201400 762292320 /nfs/dbraw/zinc/29/23/20/762292320.db2.gz KXLRYKABIXJPFN-NEPJUHHUSA-N 1 0 197.322 2.045 10 30 AEEERO C=CCCCC[NH+]1CC2(CCOC2)C1 1209201755 762292417 /nfs/dbraw/zinc/29/24/17/762292417.db2.gz QNNGEFNACYYTMC-UHFFFAOYSA-N 1 0 195.306 2.065 10 30 AEEERO C=CCCCCC[N@@H+]1C[C@@H]2C[C@H]1CO2 1209427287 762311920 /nfs/dbraw/zinc/31/19/20/762311920.db2.gz MUTJLCAIKSWCOG-RYUDHWBXSA-N 1 0 195.306 2.206 10 30 AEEERO C=CCCCCC[N@@H+]1CCO[C@@H]2C[C@@H]21 1209432814 762312503 /nfs/dbraw/zinc/31/25/03/762312503.db2.gz KHLLFXKMAOUKDJ-NWDGAFQWSA-N 1 0 195.306 2.206 10 30 AEEERO C=CCCCCC[N@@H+](C)C1COC1 1209427413 762314447 /nfs/dbraw/zinc/31/44/47/762314447.db2.gz QCIRLCSNWHKYBR-UHFFFAOYSA-N 1 0 183.295 2.063 10 30 AEEERO C=CCCCCC[NH+]1CC(OC)C1 1209422996 762314537 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/nfs/dbraw/zinc/10/98/79/572109879.db2.gz RZJWDSPTHKVLSW-NAKBGQTNSA-N 1 0 168.284 2.367 10 30 AEEERO C#C[C@@H]([NH2+]CC)[C@@H](C)CCCC 300942130 572110489 /nfs/dbraw/zinc/11/04/89/572110489.db2.gz NVYUJCJKXPYHQH-WDEREUQCSA-N 1 0 167.296 2.424 10 30 AEEERO C#C[C@H]([NH2+]CC)[C@H](C)CCCC 300942127 572110546 /nfs/dbraw/zinc/11/05/46/572110546.db2.gz NVYUJCJKXPYHQH-MNOVXSKESA-N 1 0 167.296 2.424 10 30 AEEERO C=CC[N@@H+](CCO)CC(C)(C)C(C)C 713218568 572110589 /nfs/dbraw/zinc/11/05/89/572110589.db2.gz PWBIHOGLISLBMJ-UHFFFAOYSA-N 1 0 199.338 2.149 10 30 AEEERO C#C[C@@H]([NH2+]CC)[C@H](C)CCCC 300942124 572110761 /nfs/dbraw/zinc/11/07/61/572110761.db2.gz NVYUJCJKXPYHQH-GHMZBOCLSA-N 1 0 167.296 2.424 10 30 AEEERO CCC(C)(C)[NH2+][C@@H](C)CC#N 17667766 572110833 /nfs/dbraw/zinc/11/08/33/572110833.db2.gz LCGWHBDFJTXIMK-QMMMGPOBSA-N 1 0 154.257 2.067 10 30 AEEERO C=CCC[NH2+]C[C@@H]1C=CCC1 711762081 572110932 /nfs/dbraw/zinc/11/09/32/572110932.db2.gz YQAWZLXXLYGTDD-SNVBAGLBSA-N 1 0 151.253 2.118 10 30 AEEERO C=C(C)C[NH2+][C@H]1CCC[C@@H]1SC 235142814 572112222 /nfs/dbraw/zinc/11/22/22/572112222.db2.gz CTZXCWWMGXIYMM-UWVGGRQHSA-N 1 0 185.336 2.436 10 30 AEEERO C#C[C@H]([NH2+]CC)[C@@H](C)CCCC 300942129 572112415 /nfs/dbraw/zinc/11/24/15/572112415.db2.gz NVYUJCJKXPYHQH-QWRGUYRKSA-N 1 0 167.296 2.424 10 30 AEEERO CCC(C)(C)[NH2+][C@H](C)CC#N 17667768 572113097 /nfs/dbraw/zinc/11/30/97/572113097.db2.gz LCGWHBDFJTXIMK-MRVPVSSYSA-N 1 0 154.257 2.067 10 30 AEEERO CCCC[C@@H](C)/C(NC(C)(C)C)=[NH+]\N 300943733 572113077 /nfs/dbraw/zinc/11/30/77/572113077.db2.gz ODJTVPDWKDQVNR-SECBINFHSA-N 1 0 199.342 2.473 10 30 AEEERO CCCC[C@H](C)/C(NC(C)(C)C)=[NH+]\N 300943735 572113201 /nfs/dbraw/zinc/11/32/01/572113201.db2.gz ODJTVPDWKDQVNR-VIFPVBQESA-N 1 0 199.342 2.473 10 30 AEEERO C=CCC[NH2+]C[C@H]1C=CCC1 711762080 572113554 /nfs/dbraw/zinc/11/35/54/572113554.db2.gz YQAWZLXXLYGTDD-JTQLQIEISA-N 1 0 151.253 2.118 10 30 AEEERO C=CCCC[NH2+][C@@H]1CC[C@H]2C[C@H]21 393339670 572114728 /nfs/dbraw/zinc/11/47/28/572114728.db2.gz UUTDHDLXAMSIPD-HBNTYKKESA-N 1 0 165.280 2.341 10 30 AEEERO CS[C@H]1CCC[C@@H]1[NH2+]CCCC#N 235144935 572114838 /nfs/dbraw/zinc/11/48/38/572114838.db2.gz XUZRBHCCEONNKO-UWVGGRQHSA-N 1 0 198.335 2.164 10 30 AEEERO C#CCCC[NH2+][C@H]1CCC[C@@H]1SC 235144881 572114940 /nfs/dbraw/zinc/11/49/40/572114940.db2.gz LJZJTGRAZYTGHC-QWRGUYRKSA-N 1 0 197.347 2.274 10 30 AEEERO CC#CCC[NH2+][C@H]1CCC[C@@H]1SC 235143952 572115559 /nfs/dbraw/zinc/11/55/59/572115559.db2.gz XLXVPFCMLXAIOK-QWRGUYRKSA-N 1 0 197.347 2.274 10 30 AEEERO C=CC[NH2+]CC(=O)C[C@H]1CC=CCC1 402349464 572119924 /nfs/dbraw/zinc/11/99/24/572119924.db2.gz LVRYUPQXOAPZNP-NSHDSACASA-N 1 0 193.290 2.078 10 30 AEEERO C=CCCCCCC(=O)[C@@H](C)[NH3+] 235149329 572120157 /nfs/dbraw/zinc/12/01/57/572120157.db2.gz CLAAXFFXAOCABE-SECBINFHSA-N 1 0 169.268 2.039 10 30 AEEERO CC[C@@H](C)/[NH+]=C/c1ccc[nH]1 17968806 572120281 /nfs/dbraw/zinc/12/02/81/572120281.db2.gz ZGQHWNXPGZRSTI-XAPLUZPNSA-N 1 0 150.225 2.232 10 30 AEEERO C=CC[NH2+]CC(=O)C[C@@H]1CC=CCC1 402349463 572120339 /nfs/dbraw/zinc/12/03/39/572120339.db2.gz LVRYUPQXOAPZNP-LLVKDONJSA-N 1 0 193.290 2.078 10 30 AEEERO CC[C@H](CC#N)[NH2+][C@H]1CCS[C@H]1C 300333286 572121836 /nfs/dbraw/zinc/12/18/36/572121836.db2.gz JGYUYHCUYSZQCI-AEJSXWLSSA-N 1 0 198.335 2.162 10 30 AEEERO C=C[C@H](C)[NH2+][C@@H](C)CSCC 300342724 572122046 /nfs/dbraw/zinc/12/20/46/572122046.db2.gz FFPUTWRDXSISMN-IUCAKERBSA-N 1 0 173.325 2.292 10 30 AEEERO C#CCC[C@H](C)C[C@@H](C)[NH2+]C 82809571 572122625 /nfs/dbraw/zinc/12/26/25/572122625.db2.gz WSMKPHPLONMGNS-VHSXEESVSA-N 1 0 153.269 2.034 10 30 AEEERO C=C[C@H](C)[NH2+]C[C@@]1(O)CCC[C@H](C)C1 300342678 572122790 /nfs/dbraw/zinc/12/27/90/572122790.db2.gz DSQIJFRZVQSNSM-SDDRHHMPSA-N 1 0 197.322 2.092 10 30 AEEERO C=C[C@H](C)[NH2+]C[C@]1(O)CCC[C@H](C)C1 300342679 572123105 /nfs/dbraw/zinc/12/31/05/572123105.db2.gz DSQIJFRZVQSNSM-SRVKXCTJSA-N 1 0 197.322 2.092 10 30 AEEERO C=CC[C@H](C)[NH2+][C@@H]1CCS[C@H]1C 300333802 572123172 /nfs/dbraw/zinc/12/31/72/572123172.db2.gz TVWQPNNEKPAQGN-LPEHRKFASA-N 1 0 185.336 2.435 10 30 AEEERO CC#CC[C@@H](C)C[C@@H](C)[NH2+]CC 82809765 572123362 /nfs/dbraw/zinc/12/33/62/572123362.db2.gz KKEKVMVBEULBIT-GHMZBOCLSA-N 1 0 167.296 2.424 10 30 AEEERO C=CC[C@H](C)[NH2+][C@H]1CCS[C@H]1C 300333801 572123431 /nfs/dbraw/zinc/12/34/31/572123431.db2.gz TVWQPNNEKPAQGN-GUBZILKMSA-N 1 0 185.336 2.435 10 30 AEEERO CC[C@H](CC#N)[NH2+][C@@H]1CCS[C@H]1C 300333287 572123520 /nfs/dbraw/zinc/12/35/20/572123520.db2.gz JGYUYHCUYSZQCI-IVZWLZJFSA-N 1 0 198.335 2.162 10 30 AEEERO C=C[C@@H](C)[NH2+][C@@H](C)CSCC 300342723 572123621 /nfs/dbraw/zinc/12/36/21/572123621.db2.gz FFPUTWRDXSISMN-BDAKNGLRSA-N 1 0 173.325 2.292 10 30 AEEERO CC#CC[C@H](C)C[C@H](C)[NH2+]CC 82809757 572123797 /nfs/dbraw/zinc/12/37/97/572123797.db2.gz KKEKVMVBEULBIT-QWRGUYRKSA-N 1 0 167.296 2.424 10 30 AEEERO C#CCC[C@H](C)C[C@H](C)[NH2+]C 82809575 572123823 /nfs/dbraw/zinc/12/38/23/572123823.db2.gz WSMKPHPLONMGNS-UWVGGRQHSA-N 1 0 153.269 2.034 10 30 AEEERO CC#CC[C@H](C)C[C@@H](C)[NH2+]CC 82809760 572123877 /nfs/dbraw/zinc/12/38/77/572123877.db2.gz KKEKVMVBEULBIT-WDEREUQCSA-N 1 0 167.296 2.424 10 30 AEEERO C#CC[C@H](CC)[NH2+][C@H]1CCS[C@H]1C 300333579 572123948 /nfs/dbraw/zinc/12/39/48/572123948.db2.gz PEGIKZWZEUPLOA-DCAQKATOSA-N 1 0 197.347 2.272 10 30 AEEERO C#CCC[C@@H](C)C[C@H](C)[NH2+]C 82809577 572123949 /nfs/dbraw/zinc/12/39/49/572123949.db2.gz WSMKPHPLONMGNS-ZJUUUORDSA-N 1 0 153.269 2.034 10 30 AEEERO CC#CC[C@@H](C)C[C@H](C)[NH2+]CC 82809763 572124052 /nfs/dbraw/zinc/12/40/52/572124052.db2.gz KKEKVMVBEULBIT-MNOVXSKESA-N 1 0 167.296 2.424 10 30 AEEERO C#CC[C@H](CC)[NH2+][C@@H]1CCS[C@H]1C 300333580 572124060 /nfs/dbraw/zinc/12/40/60/572124060.db2.gz PEGIKZWZEUPLOA-GARJFASQSA-N 1 0 197.347 2.272 10 30 AEEERO C#CCC[NH2+][C@H](C)CC(C)C 69625442 572124203 /nfs/dbraw/zinc/12/42/03/572124203.db2.gz WZXKCLAHWJZFQA-SNVBAGLBSA-N 1 0 153.269 2.034 10 30 AEEERO C[C@@H](CCC#N)[NH2+]C[C@@H]1C=CCC1 711788676 572124251 /nfs/dbraw/zinc/12/42/51/572124251.db2.gz QWCBAUAOGYYQLY-WDEREUQCSA-N 1 0 178.279 2.234 10 30 AEEERO C#CCC[NH2+][C@@H](C)CC(C)C 69625445 572124310 /nfs/dbraw/zinc/12/43/10/572124310.db2.gz WZXKCLAHWJZFQA-JTQLQIEISA-N 1 0 153.269 2.034 10 30 AEEERO C=C[C@H](C)[NH2+][C@@]1(CO)CCC[C@H](C)C1 300346327 572124921 /nfs/dbraw/zinc/12/49/21/572124921.db2.gz ZLZBUKZCSHWFAY-SRVKXCTJSA-N 1 0 197.322 2.092 10 30 AEEERO N#CCC[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 35159953 572124999 /nfs/dbraw/zinc/12/49/99/572124999.db2.gz NDAILNXFAAIDAW-NWDGAFQWSA-N 1 0 192.306 2.412 10 30 AEEERO CCC[C@H](C)[N@@H+]1CCCC[C@H]1C=O 300344372 572125060 /nfs/dbraw/zinc/12/50/60/572125060.db2.gz CUMVDXXUDMLWJG-QWRGUYRKSA-N 1 0 183.295 2.228 10 30 AEEERO C#CC[C@H](C)C[C@@H](C)[NH2+]CC 82810462 572125248 /nfs/dbraw/zinc/12/52/48/572125248.db2.gz ZABVRHRBGNHUSX-VHSXEESVSA-N 1 0 153.269 2.034 10 30 AEEERO C#CC[C@H](C)C[C@@H](C)[NH2+]CCC 82811062 572125335 /nfs/dbraw/zinc/12/53/35/572125335.db2.gz MVNBWTULMLQBMO-WDEREUQCSA-N 1 0 167.296 2.424 10 30 AEEERO C#CC[C@H](C)C[C@H](C)[NH2+]CCC 82811060 572125515 /nfs/dbraw/zinc/12/55/15/572125515.db2.gz MVNBWTULMLQBMO-QWRGUYRKSA-N 1 0 167.296 2.424 10 30 AEEERO CCC[C@@H](C)[N@@H+]1CCCC[C@H]1C=O 300344369 572125595 /nfs/dbraw/zinc/12/55/95/572125595.db2.gz CUMVDXXUDMLWJG-MNOVXSKESA-N 1 0 183.295 2.228 10 30 AEEERO C#CC[C@@H](C)C[C@@H](C)[NH2+]CC 82810466 572125642 /nfs/dbraw/zinc/12/56/42/572125642.db2.gz ZABVRHRBGNHUSX-NXEZZACHSA-N 1 0 153.269 2.034 10 30 AEEERO C=C[C@H](C)[NH2+][C@]1(CO)CCC[C@H](C)C1 300346326 572125851 /nfs/dbraw/zinc/12/58/51/572125851.db2.gz ZLZBUKZCSHWFAY-SDDRHHMPSA-N 1 0 197.322 2.092 10 30 AEEERO C#CCC[C@@H](C)C[C@H](C)[NH2+]CC 82810430 572126037 /nfs/dbraw/zinc/12/60/37/572126037.db2.gz XWILIJHLSLQAGT-MNOVXSKESA-N 1 0 167.296 2.424 10 30 AEEERO C#CCC[C@H](C)C[C@H](C)[NH2+]CC 82810427 572126078 /nfs/dbraw/zinc/12/60/78/572126078.db2.gz XWILIJHLSLQAGT-QWRGUYRKSA-N 1 0 167.296 2.424 10 30 AEEERO C#CC[C@@H](C)C[C@H](C)[NH2+]CCC 82811065 572126134 /nfs/dbraw/zinc/12/61/34/572126134.db2.gz MVNBWTULMLQBMO-MNOVXSKESA-N 1 0 167.296 2.424 10 30 AEEERO C#CC[C@H](C)C[C@H](C)[NH2+]CC 82810460 572126308 /nfs/dbraw/zinc/12/63/08/572126308.db2.gz ZABVRHRBGNHUSX-UWVGGRQHSA-N 1 0 153.269 2.034 10 30 AEEERO C=C(C)C[NH2+]CCC1(O)CCCCC1 404222529 572126749 /nfs/dbraw/zinc/12/67/49/572126749.db2.gz WMUWARSZIGNPGQ-UHFFFAOYSA-N 1 0 197.322 2.237 10 30 AEEERO C#CC[C@@H](C)C[C@H](C)[NH2+]CC 82810464 572126774 /nfs/dbraw/zinc/12/67/74/572126774.db2.gz ZABVRHRBGNHUSX-ZJUUUORDSA-N 1 0 153.269 2.034 10 30 AEEERO C#CCC[C@H](C)C[C@@H](C)[NH2+]CC 82810429 572126840 /nfs/dbraw/zinc/12/68/40/572126840.db2.gz XWILIJHLSLQAGT-WDEREUQCSA-N 1 0 167.296 2.424 10 30 AEEERO N#CCC[N@@H+]1CC[C@@H]2CCCC[C@H]2C1 35159954 572127193 /nfs/dbraw/zinc/12/71/93/572127193.db2.gz NDAILNXFAAIDAW-RYUDHWBXSA-N 1 0 192.306 2.412 10 30 AEEERO CC#CCC(C)(C)C[C@@H](C)[NH2+]C 82816524 572127506 /nfs/dbraw/zinc/12/75/06/572127506.db2.gz NZPQZFLTPSWDRX-SNVBAGLBSA-N 1 0 167.296 2.424 10 30 AEEERO C#CCC(C)(C)C[C@H](C)[NH2+]CC 82816856 572127676 /nfs/dbraw/zinc/12/76/76/572127676.db2.gz RRGDISCAFUXJES-JTQLQIEISA-N 1 0 167.296 2.424 10 30 AEEERO CCC[C@@H](C)[N@@H+]1CCC[C@H](C=O)C1 300349403 572127701 /nfs/dbraw/zinc/12/77/01/572127701.db2.gz QTEVSJNRIMYIRX-MNOVXSKESA-N 1 0 183.295 2.086 10 30 AEEERO CC#CCC(C)(C)C[C@H](C)[NH2+]C 82816525 572127754 /nfs/dbraw/zinc/12/77/54/572127754.db2.gz NZPQZFLTPSWDRX-JTQLQIEISA-N 1 0 167.296 2.424 10 30 AEEERO C#CCCC(C)(C)C[C@H](C)[NH2+]C 82816702 572127818 /nfs/dbraw/zinc/12/78/18/572127818.db2.gz LYKBUZSCTJVWHF-JTQLQIEISA-N 1 0 167.296 2.424 10 30 AEEERO C=C(C)C[NH2+][C@H](C)CC1CC1 69664642 572128069 /nfs/dbraw/zinc/12/80/69/572128069.db2.gz VGPKCNKNHOFPJX-SECBINFHSA-N 1 0 153.269 2.341 10 30 AEEERO C#CCCC(C)(C)C[C@@H](C)[NH2+]C 82816703 572128572 /nfs/dbraw/zinc/12/85/72/572128572.db2.gz LYKBUZSCTJVWHF-SNVBAGLBSA-N 1 0 167.296 2.424 10 30 AEEERO C#CCC(C)(C)C[C@@H](C)[NH2+]CC 82816857 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70159446 572182973 /nfs/dbraw/zinc/18/29/73/572182973.db2.gz AAPJTTRKVAMYEG-UHFFFAOYSA-N 1 0 177.291 2.490 10 30 AEEERO C[C@H]1CC(C)(C)C[C@@](N)(C#N)C1 19273281 572183035 /nfs/dbraw/zinc/18/30/35/572183035.db2.gz JAOGIMZOIAAPFP-WCBMZHEXSA-N 1 0 166.268 2.054 10 30 AEEERO C[C@H]1CC(C)(C)C[C@](N)(C#N)C1 19273286 572183041 /nfs/dbraw/zinc/18/30/41/572183041.db2.gz JAOGIMZOIAAPFP-WPRPVWTQSA-N 1 0 166.268 2.054 10 30 AEEERO C#CCC[NH2+]Cc1ccc(C)cc1 70159522 572183097 /nfs/dbraw/zinc/18/30/97/572183097.db2.gz IHRSUHUJLBBXRK-UHFFFAOYSA-N 1 0 173.259 2.108 10 30 AEEERO C=C[C@H](C)N1C[C@@H](CC)[NH2+]C[C@H]1CC 83117770 572183800 /nfs/dbraw/zinc/18/38/00/572183800.db2.gz ZGBNDILIKOLVSV-QJPTWQEYSA-N 1 0 196.338 2.023 10 30 AEEERO C=CCOc1cccc(C[C@H](C)[NH3+])c1 37726368 572184421 /nfs/dbraw/zinc/18/44/21/572184421.db2.gz PMRHHDSAOJAENC-JTQLQIEISA-N 1 0 191.274 2.141 10 30 AEEERO CC(C)[NH2+]CCc1cccc(C#N)c1 82954835 572184422 /nfs/dbraw/zinc/18/44/22/572184422.db2.gz QRWOABBGXQMKHH-UHFFFAOYSA-N 1 0 188.274 2.099 10 30 AEEERO C#CCC[N@@H+](C)Cc1ccccc1F 70159401 572183666 /nfs/dbraw/zinc/18/36/66/572183666.db2.gz IEXQCVJADOFMBM-UHFFFAOYSA-N 1 0 191.249 2.281 10 30 AEEERO C#C[C@@H]([NH2+][C@H](C)C1(C)CC1)C(C)C 300964451 572183922 /nfs/dbraw/zinc/18/39/22/572183922.db2.gz RJQYCJHGUBAHOR-GHMZBOCLSA-N 1 0 179.307 2.422 10 30 AEEERO C=CCOc1cccc(C[C@@H](C)[NH3+])c1 37726369 572184086 /nfs/dbraw/zinc/18/40/86/572184086.db2.gz PMRHHDSAOJAENC-SNVBAGLBSA-N 1 0 191.274 2.141 10 30 AEEERO C=C[C@H](C)N1C[C@H](CC)[NH2+]C[C@H]1CC 83117772 572184172 /nfs/dbraw/zinc/18/41/72/572184172.db2.gz ZGBNDILIKOLVSV-SDDRHHMPSA-N 1 0 196.338 2.023 10 30 AEEERO C#CCC[C@H]1CC[C@H]([NH2+]C)[C@H]1C 83033432 572184230 /nfs/dbraw/zinc/18/42/30/572184230.db2.gz ZIFHFGWRYORRIA-DCAQKATOSA-N 1 0 165.280 2.034 10 30 AEEERO C=CCC[N@H+]1C[C@@H](CC)NC[C@H]1CC 83117858 572184307 /nfs/dbraw/zinc/18/43/07/572184307.db2.gz GMRJKVDGRBORIE-VXGBXAGGSA-N 1 0 196.338 2.025 10 30 AEEERO C=CCOc1ccccc1C[C@@H](C)[NH3+] 37724207 572184394 /nfs/dbraw/zinc/18/43/94/572184394.db2.gz CPYXDLYFTPEZIC-SNVBAGLBSA-N 1 0 191.274 2.141 10 30 AEEERO C#CCC[NH2+][C@H](C)CCc1ccco1 70159644 572184736 /nfs/dbraw/zinc/18/47/36/572184736.db2.gz JIUPXBGZKGMPHE-LLVKDONJSA-N 1 0 191.274 2.214 10 30 AEEERO C#CCC[N@@H+](C)Cc1ccc(F)cc1 70159408 572185027 /nfs/dbraw/zinc/18/50/27/572185027.db2.gz ZJBOASLEBKBCMM-UHFFFAOYSA-N 1 0 191.249 2.281 10 30 AEEERO C#CCC[N@@H+](C)Cc1ccc(C)o1 70159406 572185043 /nfs/dbraw/zinc/18/50/43/572185043.db2.gz JPNARQQCFVOMHZ-UHFFFAOYSA-N 1 0 177.247 2.043 10 30 AEEERO C=CCC[N@H+]1C[C@@H](CC)NC[C@@H]1CC 83117859 572185068 /nfs/dbraw/zinc/18/50/68/572185068.db2.gz GMRJKVDGRBORIE-NEPJUHHUSA-N 1 0 196.338 2.025 10 30 AEEERO C#C[C@H]([NH2+][C@@H](C)C1(C)CC1)C(C)C 300964455 572185209 /nfs/dbraw/zinc/18/52/09/572185209.db2.gz RJQYCJHGUBAHOR-QWRGUYRKSA-N 1 0 179.307 2.422 10 30 AEEERO C=CCC[N@H+]1C[C@H](CC)NC[C@H]1CC 83117860 572185367 /nfs/dbraw/zinc/18/53/67/572185367.db2.gz GMRJKVDGRBORIE-NWDGAFQWSA-N 1 0 196.338 2.025 10 30 AEEERO C=C[C@H](C)N1C[C@H](CC)[NH2+]C[C@@H]1CC 83117773 572185540 /nfs/dbraw/zinc/18/55/40/572185540.db2.gz ZGBNDILIKOLVSV-SRVKXCTJSA-N 1 0 196.338 2.023 10 30 AEEERO C=CCC[N@H+]1C[C@H](CC)NC[C@@H]1CC 83117861 572185700 /nfs/dbraw/zinc/18/57/00/572185700.db2.gz GMRJKVDGRBORIE-RYUDHWBXSA-N 1 0 196.338 2.025 10 30 AEEERO C=C[C@H](C)N1C[C@@H](CC)[NH2+]C[C@@H]1CC 83117771 572185738 /nfs/dbraw/zinc/18/57/38/572185738.db2.gz ZGBNDILIKOLVSV-TUAOUCFPSA-N 1 0 196.338 2.023 10 30 AEEERO C#CCC[NH2+][C@H]1CC[C@H](C)[C@H]1C 83043192 572186245 /nfs/dbraw/zinc/18/62/45/572186245.db2.gz WGMMXKRTKGFCDP-AXFHLTTASA-N 1 0 165.280 2.034 10 30 AEEERO C#CC[C@H]1CC[C@@H]([NH2+]CCC)[C@H]1C 83034564 572186342 /nfs/dbraw/zinc/18/63/42/572186342.db2.gz HXMNZGRCFAGCOH-SDDRHHMPSA-N 1 0 179.307 2.424 10 30 AEEERO C[C@H]1CC[C@H]([NH2+]CCCC#N)[C@@H]1C 83042927 572186418 /nfs/dbraw/zinc/18/64/18/572186418.db2.gz GZEYGWHJOLJKOO-AXFHLTTASA-N 1 0 180.295 2.314 10 30 AEEERO C[C@H]1CC[C@@H]([NH2+]CCCC#N)[C@@H]1C 83042932 572186680 /nfs/dbraw/zinc/18/66/80/572186680.db2.gz GZEYGWHJOLJKOO-HBNTYKKESA-N 1 0 180.295 2.314 10 30 AEEERO C#CCC[C@@H]1CC[C@H]([NH2+]CC)[C@H]1C 83034368 572186693 /nfs/dbraw/zinc/18/66/93/572186693.db2.gz MMYUXNJBUUBBMO-TUAOUCFPSA-N 1 0 179.307 2.424 10 30 AEEERO C=CC[NH2+][C@H]1CC[C@@H](C)[C@H]1C 83043944 572186920 /nfs/dbraw/zinc/18/69/20/572186920.db2.gz KMDWLKXBCUEUKS-BBBLOLIVSA-N 1 0 153.269 2.197 10 30 AEEERO CC#CC[NH2+][C@H]1CC[C@H](C)[C@@H]1C 83043422 572186995 /nfs/dbraw/zinc/18/69/95/572186995.db2.gz CORGTVKPNXWJRZ-DCAQKATOSA-N 1 0 165.280 2.034 10 30 AEEERO C#CC[C@H]1CC[C@H]([NH2+]CCC)[C@H]1C 83034568 572187013 /nfs/dbraw/zinc/18/70/13/572187013.db2.gz HXMNZGRCFAGCOH-SRVKXCTJSA-N 1 0 179.307 2.424 10 30 AEEERO C#CCC[NH2+][C@H]1CC[C@@H](C)[C@H]1C 83043189 572187058 /nfs/dbraw/zinc/18/70/58/572187058.db2.gz WGMMXKRTKGFCDP-MXWKQRLJSA-N 1 0 165.280 2.034 10 30 AEEERO C#CC[C@@H]1CC[C@@H]([NH2+]CCC)[C@H]1C 83034575 572187133 /nfs/dbraw/zinc/18/71/33/572187133.db2.gz HXMNZGRCFAGCOH-QJPTWQEYSA-N 1 0 179.307 2.424 10 30 AEEERO C=C(C[N@H+](C)[C@@H](C)C(C)C)OC 393348860 572187154 /nfs/dbraw/zinc/18/71/54/572187154.db2.gz OFMYXCDQZOROOV-JTQLQIEISA-N 1 0 171.284 2.123 10 30 AEEERO C[C@@H]1CC[C@@H]([NH2+]CCCC#N)[C@@H]1C 83042929 572187166 /nfs/dbraw/zinc/18/71/66/572187166.db2.gz GZEYGWHJOLJKOO-GMTAPVOTSA-N 1 0 180.295 2.314 10 30 AEEERO C#CCC[C@H]1CC[C@H]([NH2+]CC)[C@H]1C 83034362 572187183 /nfs/dbraw/zinc/18/71/83/572187183.db2.gz MMYUXNJBUUBBMO-SRVKXCTJSA-N 1 0 179.307 2.424 10 30 AEEERO C#CCC[C@@H]1CC[C@@H]([NH2+]CC)[C@H]1C 83034365 572187765 /nfs/dbraw/zinc/18/77/65/572187765.db2.gz MMYUXNJBUUBBMO-QJPTWQEYSA-N 1 0 179.307 2.424 10 30 AEEERO C#CCC[C@H]1CC[C@@H]([NH2+]CC)[C@H]1C 83034357 572187854 /nfs/dbraw/zinc/18/78/54/572187854.db2.gz MMYUXNJBUUBBMO-SDDRHHMPSA-N 1 0 179.307 2.424 10 30 AEEERO C=C(C[N@H+](C)[C@H](C)C(C)C)OC 393348864 572187983 /nfs/dbraw/zinc/18/79/83/572187983.db2.gz OFMYXCDQZOROOV-SNVBAGLBSA-N 1 0 171.284 2.123 10 30 AEEERO C#CC[C@H]1CC[C@H]([NH2+]CC)[C@H]1C 83033693 572188023 /nfs/dbraw/zinc/18/80/23/572188023.db2.gz VHLXHPSWCNTTJU-DCAQKATOSA-N 1 0 165.280 2.034 10 30 AEEERO C=CC[NH2+][C@H]1CC[C@H](C)[C@H]1C 83043947 572188083 /nfs/dbraw/zinc/18/80/83/572188083.db2.gz KMDWLKXBCUEUKS-AEJSXWLSSA-N 1 0 153.269 2.197 10 30 AEEERO C#CC[C@H]1CC[C@@H]([NH2+]CC)[C@H]1C 83033689 572188091 /nfs/dbraw/zinc/18/80/91/572188091.db2.gz VHLXHPSWCNTTJU-GARJFASQSA-N 1 0 165.280 2.034 10 30 AEEERO C=C(CC)C[C@H]([NH3+])[C@@H]1CCOC[C@@H]1C 300968592 572188831 /nfs/dbraw/zinc/18/88/31/572188831.db2.gz GXPJVDKNTDMTPP-TUAOUCFPSA-N 1 0 197.322 2.343 10 30 AEEERO C#CCC[NH2+][C@H]1CC[C@H](CC)[C@H]1C 83048477 572188423 /nfs/dbraw/zinc/18/84/23/572188423.db2.gz HEGAQUFLYGFNED-WOPDTQHZSA-N 1 0 179.307 2.424 10 30 AEEERO C=C(CC)C[C@H]([NH3+])[C@H]1CCOC[C@@H]1C 300968591 572188845 /nfs/dbraw/zinc/18/88/45/572188845.db2.gz GXPJVDKNTDMTPP-SRVKXCTJSA-N 1 0 197.322 2.343 10 30 AEEERO CC[C@H]1CC[C@@H]([NH2+]CCC#N)[C@@H]1C 83048512 572188725 /nfs/dbraw/zinc/18/87/25/572188725.db2.gz AAEGVXWYYPFULU-OUAUKWLOSA-N 1 0 180.295 2.314 10 30 AEEERO C=C(CC)C[C@H]([NH3+])[C@H]1CCOC[C@H]1C 300968594 572188740 /nfs/dbraw/zinc/18/87/40/572188740.db2.gz GXPJVDKNTDMTPP-WOPDTQHZSA-N 1 0 197.322 2.343 10 30 AEEERO C#CCC[NH2+][C@H]1CC[C@@H](CC)[C@H]1C 83048474 572188977 /nfs/dbraw/zinc/18/89/77/572188977.db2.gz HEGAQUFLYGFNED-UTUOFQBUSA-N 1 0 179.307 2.424 10 30 AEEERO C=CC[N@H+]1CC[C@H]([NH3+])[C@]1(C)CC(C)C 711928299 572189170 /nfs/dbraw/zinc/18/91/70/572189170.db2.gz CFONNHKYQIMLSQ-RYUDHWBXSA-N 1 0 196.338 2.010 10 30 AEEERO C=CC[C@H]([NH3+])CC1(COC)CCC1 388667950 572189265 /nfs/dbraw/zinc/18/92/65/572189265.db2.gz XDHIXSBFLMUFRC-JTQLQIEISA-N 1 0 183.295 2.097 10 30 AEEERO CC[C@@H]1CC[C@H]([NH2+]CCC#N)[C@@H]1C 83048505 572189311 /nfs/dbraw/zinc/18/93/11/572189311.db2.gz AAEGVXWYYPFULU-MXWKQRLJSA-N 1 0 180.295 2.314 10 30 AEEERO CC[C@@H]1CC[C@@H]([NH2+]CCC#N)[C@@H]1C 83048509 572189323 /nfs/dbraw/zinc/18/93/23/572189323.db2.gz AAEGVXWYYPFULU-GMTAPVOTSA-N 1 0 180.295 2.314 10 30 AEEERO C=CCCCC[NH2+]C[C@H](C#N)C1CC1 397318985 572189342 /nfs/dbraw/zinc/18/93/42/572189342.db2.gz SBCHWKOLSLNTNJ-LBPRGKRZSA-N 1 0 192.306 2.482 10 30 AEEERO C=C(CC)C[C@H]([NH3+])[C@@H]1CCOC[C@H]1C 300968593 572189386 /nfs/dbraw/zinc/18/93/86/572189386.db2.gz GXPJVDKNTDMTPP-UTUOFQBUSA-N 1 0 197.322 2.343 10 30 AEEERO C#CC[NH2+][C@H]1CC[C@H](CC)[C@H]1C 83047305 572189401 /nfs/dbraw/zinc/18/94/01/572189401.db2.gz IEMHMBIIENAQOH-VWYCJHECSA-N 1 0 165.280 2.034 10 30 AEEERO C#CCC[NH2+][C@@H]1CC[C@@H](CC)[C@H]1C 83048482 572189474 /nfs/dbraw/zinc/18/94/74/572189474.db2.gz HEGAQUFLYGFNED-IJLUTSLNSA-N 1 0 179.307 2.424 10 30 AEEERO C#CCC[NH2+][C@@H]1CC[C@H](CC)[C@H]1C 83048484 572189551 /nfs/dbraw/zinc/18/95/51/572189551.db2.gz HEGAQUFLYGFNED-GRYCIOLGSA-N 1 0 179.307 2.424 10 30 AEEERO CC#CC[NH2+][C@H]1CC[C@@H](CC)[C@H]1C 83048596 572189611 /nfs/dbraw/zinc/18/96/11/572189611.db2.gz MFNFDODELNMWBK-UTUOFQBUSA-N 1 0 179.307 2.424 10 30 AEEERO CC[C@H]1CC[C@H]([NH2+]CCC#N)[C@@H]1C 83048508 572189849 /nfs/dbraw/zinc/18/98/49/572189849.db2.gz AAEGVXWYYPFULU-VWYCJHECSA-N 1 0 180.295 2.314 10 30 AEEERO C=CCCCC[NH2+]C[C@@H](C#N)C1CC1 397318983 572190148 /nfs/dbraw/zinc/19/01/48/572190148.db2.gz SBCHWKOLSLNTNJ-GFCCVEGCSA-N 1 0 192.306 2.482 10 30 AEEERO C=CC[N@H+]1CC[C@@H]([NH3+])[C@@]1(C)CC(C)C 711928300 572190678 /nfs/dbraw/zinc/19/06/78/572190678.db2.gz CFONNHKYQIMLSQ-VXGBXAGGSA-N 1 0 196.338 2.010 10 30 AEEERO CC[C@@H]([NH2+][C@H]1CCC[C@@H]1C#N)C1CC1 83056497 572190743 /nfs/dbraw/zinc/19/07/43/572190743.db2.gz LRHTZNBDQQACMR-UTUOFQBUSA-N 1 0 192.306 2.457 10 30 AEEERO C#CCC[NH2+][C@@H](C)c1cccs1 70190987 572190810 /nfs/dbraw/zinc/19/08/10/572190810.db2.gz PGDZBGZYBCKVJE-VIFPVBQESA-N 1 0 179.288 2.422 10 30 AEEERO C#CCC[NH2+]CC1CCCCC1 70191003 572190845 /nfs/dbraw/zinc/19/08/45/572190845.db2.gz LLEHZAOLEXXCCT-UHFFFAOYSA-N 1 0 165.280 2.180 10 30 AEEERO C#CCC[NH2+]Cc1ccc(Cl)o1 70191096 572191025 /nfs/dbraw/zinc/19/10/25/572191025.db2.gz AINKXQJFJSHFJG-UHFFFAOYSA-N 1 0 183.638 2.046 10 30 AEEERO C=CC[N@H+]1CC[C@H]([NH3+])[C@@]1(C)CC(C)C 711928297 572191026 /nfs/dbraw/zinc/19/10/26/572191026.db2.gz CFONNHKYQIMLSQ-NWDGAFQWSA-N 1 0 196.338 2.010 10 30 AEEERO C#CCC[NH2+][C@@H](C)c1ccc(C)o1 70191048 572191290 /nfs/dbraw/zinc/19/12/90/572191290.db2.gz JXBIHWCKEJOJAG-JTQLQIEISA-N 1 0 177.247 2.262 10 30 AEEERO C#CCC[NH2+]Cc1ccccc1C 70191094 572191379 /nfs/dbraw/zinc/19/13/79/572191379.db2.gz XFPGSLNAYUGXEO-UHFFFAOYSA-N 1 0 173.259 2.108 10 30 AEEERO CC#CC[NH2+]C[C@H](C)CC(C)C 300970198 572191465 /nfs/dbraw/zinc/19/14/65/572191465.db2.gz SBNZSQFQVXUGNI-LLVKDONJSA-N 1 0 167.296 2.282 10 30 AEEERO C=C(Cl)C[NH2+][C@@H]1C[C@@H]1CC 234088484 572191489 /nfs/dbraw/zinc/19/14/89/572191489.db2.gz CYVVRQLNFJXAPS-JGVFFNPUSA-N 1 0 159.660 2.127 10 30 AEEERO C#CCC[NH2+][C@H](C)c1ccccc1F 70190965 572191691 /nfs/dbraw/zinc/19/16/91/572191691.db2.gz RTKLOFXJYZKSHT-SNVBAGLBSA-N 1 0 191.249 2.500 10 30 AEEERO C=CCC[C@H](C)C[NH+](C)C 43505104 572191777 /nfs/dbraw/zinc/19/17/77/572191777.db2.gz XUOCYXNGSOYOIT-VIFPVBQESA-N 1 0 141.258 2.150 10 30 AEEERO C#CCC[NH2+][C@H]1CCc2ccccc2C1 70191044 572192113 /nfs/dbraw/zinc/19/21/13/572192113.db2.gz FUIORPGSKRVQCY-AWEZNQCLSA-N 1 0 199.297 2.157 10 30 AEEERO C#CCC[NH2+][C@@H]1CCc2ccccc2C1 70191043 572192160 /nfs/dbraw/zinc/19/21/60/572192160.db2.gz FUIORPGSKRVQCY-CQSZACIVSA-N 1 0 199.297 2.157 10 30 AEEERO C#CCC[NH2+][C@H](C)c1ccc(C)o1 70191046 572192210 /nfs/dbraw/zinc/19/22/10/572192210.db2.gz JXBIHWCKEJOJAG-SNVBAGLBSA-N 1 0 177.247 2.262 10 30 AEEERO CC[C@@H]([NH2+][C@@H]1CCC[C@@H]1C#N)C1CC1 83056493 572192233 /nfs/dbraw/zinc/19/22/33/572192233.db2.gz LRHTZNBDQQACMR-IJLUTSLNSA-N 1 0 192.306 2.457 10 30 AEEERO C#CCC[NH2+][C@H](C)c1cccc(F)c1 70190977 572192374 /nfs/dbraw/zinc/19/23/74/572192374.db2.gz FBCAHLMLOPKHCZ-SNVBAGLBSA-N 1 0 191.249 2.500 10 30 AEEERO C#CCC[NH2+][C@@H](C)c1cccc(F)c1 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171.259 2.257 10 30 AEEERO SC/C=C\C[N@H+]1C[C@H]2CCC[C@H]2C1 308067034 572583522 /nfs/dbraw/zinc/58/35/22/572583522.db2.gz YDMKPMPATWACOY-GOHLFLMTSA-N 1 0 197.347 2.204 10 30 AEEERO C/C(C#Cc1ccccc1)=C/CC[NH3+] 306278130 572583572 /nfs/dbraw/zinc/58/35/72/572583572.db2.gz PEBZSYYWROAKHZ-SDQBBNPISA-N 1 0 185.270 2.333 10 30 AEEERO C=CC[N@@H+]1C[C@@H]2CCCCC[C@@H]21 306275014 572583783 /nfs/dbraw/zinc/58/37/83/572583783.db2.gz CONZNHWKNMMGTC-QWRGUYRKSA-N 1 0 165.280 2.437 10 30 AEEERO CC#CC[NH2+][C@H]1CS[C@@H](C(C)C)C1 306215923 572584011 /nfs/dbraw/zinc/58/40/11/572584011.db2.gz IRSYTWYOSQPYOJ-GHMZBOCLSA-N 1 0 197.347 2.129 10 30 AEEERO C=CCC[N@@H+]1CCC[C@@H]2C[C@@H]21 307575628 572584048 /nfs/dbraw/zinc/58/40/48/572584048.db2.gz JBOIBGXXOGDVCA-ZJUUUORDSA-N 1 0 151.253 2.047 10 30 AEEERO C#C[C@H](C)[N@H+](C)CC1(C)CCC1 306292593 572584111 /nfs/dbraw/zinc/58/41/11/572584111.db2.gz VMQFKTQLQDXWOO-JTQLQIEISA-N 1 0 165.280 2.130 10 30 AEEERO C=C[C@@H]([NH2+]C)c1cncc(Cl)c1 307544725 572584455 /nfs/dbraw/zinc/58/44/55/572584455.db2.gz IAEPWXSTAHARPH-SECBINFHSA-N 1 0 182.654 2.182 10 30 AEEERO SC/C=C\C[NH+]1C[C@@H]2CCC[C@H]2C1 308067036 572584468 /nfs/dbraw/zinc/58/44/68/572584468.db2.gz YDMKPMPATWACOY-SYCYMAOGSA-N 1 0 197.347 2.204 10 30 AEEERO C=CCS[C@@H]1CC[C@@H]([NH2+]C)C1 307567920 572584479 /nfs/dbraw/zinc/58/44/79/572584479.db2.gz ROLSCODGGZZPGL-RKDXNWHRSA-N 1 0 171.309 2.046 10 30 AEEERO CC#CC[C@@H](Cc1ccsc1)[NH2+]C 160974276 572584488 /nfs/dbraw/zinc/58/44/88/572584488.db2.gz HWKBZCNQOJBSFX-NSHDSACASA-N 1 0 193.315 2.292 10 30 AEEERO C#C[C@@H]([NH2+][C@@H]1CCC[C@H]2C[C@H]21)C(C)C 307505726 572584661 /nfs/dbraw/zinc/58/46/61/572584661.db2.gz LHCQMKCAGDNDKE-UMSGYPCISA-N 1 0 191.318 2.422 10 30 AEEERO C#CC[NH2+]C[C@H]1CCCCC1(F)F 307571035 572585344 /nfs/dbraw/zinc/58/53/44/572585344.db2.gz CTHLVUSPBRQFHU-SECBINFHSA-N 1 0 187.233 2.035 10 30 AEEERO C#CCC[C@@H]([NH3+])c1ccc(C)c(C)n1 306242382 572585418 /nfs/dbraw/zinc/58/54/18/572585418.db2.gz APQSKAGCBCWGCT-LLVKDONJSA-N 1 0 188.274 2.112 10 30 AEEERO C=C[C@H](C)[N@@H+]1C[C@@H]2CC[C@@H](F)[C@H]2C1 306269633 572585541 /nfs/dbraw/zinc/58/55/41/572585541.db2.gz SRDOIMVLSMOPON-XWLWVQCSSA-N 1 0 183.270 2.241 10 30 AEEERO CC#CCC[N@@H+]1C[C@H]2CCCC[C@H]21 306234174 572585609 /nfs/dbraw/zinc/58/56/09/572585609.db2.gz MERJJATXEXNMLR-VXGBXAGGSA-N 1 0 177.291 2.274 10 30 AEEERO C=C(C[NH3+])C[N@H+](C)CCCC1CCC1 688686471 572585619 /nfs/dbraw/zinc/58/56/19/572585619.db2.gz ADWBIBZKCHBAAJ-UHFFFAOYSA-N 1 0 196.338 2.013 10 30 AEEERO C#C[C@H]([NH2+]CC)c1cncc(Cl)c1 306294107 572585834 /nfs/dbraw/zinc/58/58/34/572585834.db2.gz AQCHVAYZRMXZAG-JTQLQIEISA-N 1 0 194.665 2.019 10 30 AEEERO CC[S@+](C)CCc1ccccc1 71776732 572586205 /nfs/dbraw/zinc/58/62/05/572586205.db2.gz OJPQOGXFXKRIJJ-GFCCVEGCSA-N 1 0 181.324 2.497 10 30 AEEERO C#CC[N@H+]1CCC[C@H]1CC(C)C 307581219 572586436 /nfs/dbraw/zinc/58/64/36/572586436.db2.gz BZYLEQQLPZPGNU-NSHDSACASA-N 1 0 165.280 2.130 10 30 AEEERO C#C[C@H](C)[NH2+][C@H](C)[C@H](C)CC=C 308070615 572596780 /nfs/dbraw/zinc/59/67/80/572596780.db2.gz BCSMIBOCFGLZAX-OUAUKWLOSA-N 1 0 165.280 2.198 10 30 AEEERO C=C[C@H](C)[N@@H+]1CC[C@H](C)[C@H](F)C1 307531308 572586560 /nfs/dbraw/zinc/58/65/60/572586560.db2.gz WYHOGWONXGSIHS-LPEHRKFASA-N 1 0 171.259 2.241 10 30 AEEERO C#CC[NH2+][C@@H]1CCC[C@H](C(F)F)C1 307560305 572586745 /nfs/dbraw/zinc/58/67/45/572586745.db2.gz XMMWWFAZOYJXQI-DTWKUNHWSA-N 1 0 187.233 2.033 10 30 AEEERO CC[S@@+](C)CCc1ccccc1 71776730 572586875 /nfs/dbraw/zinc/58/68/75/572586875.db2.gz OJPQOGXFXKRIJJ-LBPRGKRZSA-N 1 0 181.324 2.497 10 30 AEEERO C#C[C@H](C)[NH2+][C@H](C)[C@@H]1CC1(C)C 306227724 572587307 /nfs/dbraw/zinc/58/73/07/572587307.db2.gz HFRPCSGIGUTXFG-AEJSXWLSSA-N 1 0 165.280 2.032 10 30 AEEERO Cc1cc(C)c([NH+]=CN(C)C)c(C)n1 255965201 572587708 /nfs/dbraw/zinc/58/77/08/572587708.db2.gz BQHMTYOLQNZWLS-UHFFFAOYSA-N 1 0 191.278 2.228 10 30 AEEERO CCC[NH2+][C@H](C)C#Cc1ccccc1 306218232 572587880 /nfs/dbraw/zinc/58/78/80/572587880.db2.gz RAEXBPONOFPEMC-GFCCVEGCSA-N 1 0 187.286 2.426 10 30 AEEERO C=CCS[C@@H]1CC[C@H]([NH2+]C)C1 307567918 572588315 /nfs/dbraw/zinc/58/83/15/572588315.db2.gz ROLSCODGGZZPGL-DTWKUNHWSA-N 1 0 171.309 2.046 10 30 AEEERO C=C[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H]1C 306282520 572588413 /nfs/dbraw/zinc/58/84/13/572588413.db2.gz ZHNVCRNPOBRQQC-UTLUCORTSA-N 1 0 153.269 2.291 10 30 AEEERO C=C1CCC[N@H+](Cc2ccoc2)C1 306265115 572588728 /nfs/dbraw/zinc/58/87/28/572588728.db2.gz CVYODLYFGHVKQR-UHFFFAOYSA-N 1 0 177.247 2.432 10 30 AEEERO C=C(C)C[N@@H+]1CCCC[C@H](F)C1 306234360 572588847 /nfs/dbraw/zinc/58/88/47/572588847.db2.gz DBLYYYYDUHTMEF-JTQLQIEISA-N 1 0 171.259 2.387 10 30 AEEERO C#CCC[C@H]([NH2+]CC)c1cscn1 87595360 572591063 /nfs/dbraw/zinc/59/10/63/572591063.db2.gz RYHFXFLXQDJSPR-VIFPVBQESA-N 1 0 194.303 2.207 10 30 AEEERO C=C(C)C[N@@H+](C)[C@@H]1CCO[C@@H](C)C1 306294610 572589081 /nfs/dbraw/zinc/58/90/81/572589081.db2.gz WAYZNTAIMJMULI-WDEREUQCSA-N 1 0 183.295 2.062 10 30 AEEERO C=C(C)C[N@@H+]1CCCC[C@@H](F)C1 306234362 572589157 /nfs/dbraw/zinc/58/91/57/572589157.db2.gz DBLYYYYDUHTMEF-SNVBAGLBSA-N 1 0 171.259 2.387 10 30 AEEERO CC[NH+](CC)[C@H](C=O)c1ccccc1 114814777 572589536 /nfs/dbraw/zinc/58/95/36/572589536.db2.gz UMPWFNPLHSVRAN-GFCCVEGCSA-N 1 0 191.274 2.268 10 30 AEEERO C#CC(C)(C)Nc1cc[nH+]c(CC)c1 306244595 572589936 /nfs/dbraw/zinc/58/99/36/572589936.db2.gz VCNUUMOJBBSWSS-UHFFFAOYSA-N 1 0 188.274 2.468 10 30 AEEERO C#CC[NH2+][C@@H](C)c1cc(C)c(C)o1 307551676 572590370 /nfs/dbraw/zinc/59/03/70/572590370.db2.gz PSEHKBSHPSWJNJ-VIFPVBQESA-N 1 0 177.247 2.180 10 30 AEEERO C=CCC[C@@H]([NH2+]C)c1cscn1 87594754 572590526 /nfs/dbraw/zinc/59/05/26/572590526.db2.gz PNKNKUFUCJMHIR-MRVPVSSYSA-N 1 0 182.292 2.370 10 30 AEEERO C#C[C@H]([NH2+]CC)c1sccc1F 306209902 572590563 /nfs/dbraw/zinc/59/05/63/572590563.db2.gz CGCVWNDDZFIQIQ-QMMMGPOBSA-N 1 0 183.251 2.171 10 30 AEEERO C#C[C@H]([NH2+]CC)[C@@H]1CC[C@@H]2C[C@@H]2C1 403222841 572591115 /nfs/dbraw/zinc/59/11/15/572591115.db2.gz LLWPCAFIHOGCJQ-KKOKHZNYSA-N 1 0 177.291 2.034 10 30 AEEERO C=C[C@@H](C)[C@](C)(CC)C[NH3+] 306220738 572591123 /nfs/dbraw/zinc/59/11/23/572591123.db2.gz IHQFXXMYLOTJAY-RKDXNWHRSA-N 1 0 141.258 2.184 10 30 AEEERO C=CCCC[C@H]([NH3+])c1cscn1 87589584 572591186 /nfs/dbraw/zinc/59/11/86/572591186.db2.gz BJBRTWLQLOENNC-QMMMGPOBSA-N 1 0 182.292 2.499 10 30 AEEERO C=C[C@H](C)[N@H+]1C[C@H]2[C@@H](F)CC[C@H]2C1 306269630 572591350 /nfs/dbraw/zinc/59/13/50/572591350.db2.gz SRDOIMVLSMOPON-MMWGEVLESA-N 1 0 183.270 2.241 10 30 AEEERO CC#CC[C@@H]([NH2+]CC)c1cscn1 87595333 572591462 /nfs/dbraw/zinc/59/14/62/572591462.db2.gz HKGHUYVJLGGOLT-SECBINFHSA-N 1 0 194.303 2.207 10 30 AEEERO C=C[C@@H]([NH2+]C)c1ccc(C)c(C)n1 307553552 572591769 /nfs/dbraw/zinc/59/17/69/572591769.db2.gz VVALICXMFULCFG-SNVBAGLBSA-N 1 0 176.263 2.145 10 30 AEEERO C=C(C)C[N@@H+](C)C1CC(C)C1 306209325 572591802 /nfs/dbraw/zinc/59/18/02/572591802.db2.gz FUCXPPBVMAWPHE-UHFFFAOYSA-N 1 0 153.269 2.293 10 30 AEEERO C=C(CC)C[C@H]([NH3+])c1cscn1 87594454 572591902 /nfs/dbraw/zinc/59/19/02/572591902.db2.gz WFEFTDRDKZOMCT-QMMMGPOBSA-N 1 0 182.292 2.499 10 30 AEEERO C#C[C@H]([NH2+]C(C)C)c1ccc(F)cc1 306241251 572591967 /nfs/dbraw/zinc/59/19/67/572591967.db2.gz HTTBNDFYTKUNJH-LBPRGKRZSA-N 1 0 191.249 2.498 10 30 AEEERO CC[C@H]1CCC[N@H+](C[C@H](C)C=O)CC1 251655966 572592001 /nfs/dbraw/zinc/59/20/01/572592001.db2.gz GSTSYAWSPPBBBR-RYUDHWBXSA-N 1 0 197.322 2.334 10 30 AEEERO C=C(C)C[NH2+]C/C(C)=C\Cl 307835535 572592011 /nfs/dbraw/zinc/59/20/11/572592011.db2.gz OOHSQBOVUPBSCZ-YWEYNIOJSA-N 1 0 159.660 2.295 10 30 AEEERO C=C(CC)CNc1cc(N)c(C)c[nH+]1 306268745 572592260 /nfs/dbraw/zinc/59/22/60/572592260.db2.gz KCKGQRZYHUVLFY-UHFFFAOYSA-N 1 0 191.278 2.350 10 30 AEEERO CC#CCC[NH2+][C@@H]1CC[C@H]2C[C@H]2C1 403251270 572592418 /nfs/dbraw/zinc/59/24/18/572592418.db2.gz USIRSSGSAHCGTA-SDDRHHMPSA-N 1 0 177.291 2.178 10 30 AEEERO CC[C@@H]1CCC[N@H+](C[C@H](C)C=O)CC1 251655964 572592515 /nfs/dbraw/zinc/59/25/15/572592515.db2.gz GSTSYAWSPPBBBR-NWDGAFQWSA-N 1 0 197.322 2.334 10 30 AEEERO CC#CC[C@H]([NH2+]CC)c1cscn1 87595330 572592696 /nfs/dbraw/zinc/59/26/96/572592696.db2.gz HKGHUYVJLGGOLT-VIFPVBQESA-N 1 0 194.303 2.207 10 30 AEEERO C=C[C@H](C)[N@@H+]1CC[C@@H](CC)C1 307518477 572593091 /nfs/dbraw/zinc/59/30/91/572593091.db2.gz VFDBMOYYMXBMLZ-VHSXEESVSA-N 1 0 153.269 2.293 10 30 AEEERO C#CC[NH2+]CC1CCC(C)(C)CC1 306259551 572593203 /nfs/dbraw/zinc/59/32/03/572593203.db2.gz JJAXAEOLAFLDCX-UHFFFAOYSA-N 1 0 179.307 2.426 10 30 AEEERO C=CC[C@@H]([NH2+]CC)c1cscn1 87595278 572593376 /nfs/dbraw/zinc/59/33/76/572593376.db2.gz DEGLWIUWGBJSNZ-MRVPVSSYSA-N 1 0 182.292 2.370 10 30 AEEERO C#CC[C@H]([NH2+]CCC)c1cscn1 87595692 572593383 /nfs/dbraw/zinc/59/33/83/572593383.db2.gz NBFBEXJSSBLBTP-VIFPVBQESA-N 1 0 194.303 2.207 10 30 AEEERO C=CCCC[C@@H]([NH3+])c1cscn1 87589585 572593394 /nfs/dbraw/zinc/59/33/94/572593394.db2.gz BJBRTWLQLOENNC-MRVPVSSYSA-N 1 0 182.292 2.499 10 30 AEEERO C=CC[N@@H+]1C[C@H]2CCCCC[C@H]21 306275012 572593401 /nfs/dbraw/zinc/59/34/01/572593401.db2.gz CONZNHWKNMMGTC-GHMZBOCLSA-N 1 0 165.280 2.437 10 30 AEEERO C#CC[NH2+][C@H]1CCCC[C@@H]1C1CC1 306277496 572593430 /nfs/dbraw/zinc/59/34/30/572593430.db2.gz FTWBCJKDMWANAW-NEPJUHHUSA-N 1 0 177.291 2.178 10 30 AEEERO C=C[C@H](C)[N@H+](C)CC(=C)C 306221518 572593462 /nfs/dbraw/zinc/59/34/62/572593462.db2.gz WFDNPPLTEWDGJF-VIFPVBQESA-N 1 0 139.242 2.069 10 30 AEEERO C[NH2+]CC/C=C/C#Cc1ccccc1 307536255 572593564 /nfs/dbraw/zinc/59/35/64/572593564.db2.gz SOUNBAHNILIRNM-NSCUHMNNSA-N 1 0 185.270 2.204 10 30 AEEERO C=C(C)C[C@H](O)[C@H]1CCC[C@@H](C[NH3+])C1 714096268 572593617 /nfs/dbraw/zinc/59/36/17/572593617.db2.gz WGDQEVJCSPCGJN-WOPDTQHZSA-N 1 0 197.322 2.079 10 30 AEEERO CC#CC[NH2+][C@H]1CS[C@H](C(C)C)C1 306215924 572593924 /nfs/dbraw/zinc/59/39/24/572593924.db2.gz IRSYTWYOSQPYOJ-MNOVXSKESA-N 1 0 197.347 2.129 10 30 AEEERO C=C(CC)C[C@@H]([NH3+])c1cscn1 87594456 572594320 /nfs/dbraw/zinc/59/43/20/572594320.db2.gz WFEFTDRDKZOMCT-MRVPVSSYSA-N 1 0 182.292 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0 198.354 2.271 10 30 AEEERO C=CC[C@@]1(C[NH2+]C)CCCS1 307743154 572787873 /nfs/dbraw/zinc/78/78/73/572787873.db2.gz YBVXPGOXBCFDQG-VIFPVBQESA-N 1 0 171.309 2.048 10 30 AEEERO C#CCCC[C@@H](F)CC(C)(C)[NH3+] 308131021 572787886 /nfs/dbraw/zinc/78/78/86/572787886.db2.gz XIWIEKGHHGKKGT-SECBINFHSA-N 1 0 171.259 2.255 10 30 AEEERO C=CC[N@@H+](C)CC=C1CCC1 307725744 572787891 /nfs/dbraw/zinc/78/78/91/572787891.db2.gz CFWUXYGWDVJTID-UHFFFAOYSA-N 1 0 151.253 2.215 10 30 AEEERO C=C(CC)C[C@H](O)[C@](C)(CC)[NH+](C)C 85744828 572787950 /nfs/dbraw/zinc/78/79/50/572787950.db2.gz MPILHFYTJXHADS-RYUDHWBXSA-N 1 0 199.338 2.434 10 30 AEEERO C=C[C@H]([NH2+]CC)C(C)(C)N1CCCC1 85740819 572788024 /nfs/dbraw/zinc/78/80/24/572788024.db2.gz IFRCBFFZBXGTMI-NSHDSACASA-N 1 0 196.338 2.025 10 30 AEEERO C#CCCC[C@H](F)CC(C)(C)[NH3+] 308131022 572788058 /nfs/dbraw/zinc/78/80/58/572788058.db2.gz XIWIEKGHHGKKGT-VIFPVBQESA-N 1 0 171.259 2.255 10 30 AEEERO C=CCC[C@H](N)[C@@](C)(CC)[NH+](C)C 85745822 572788063 /nfs/dbraw/zinc/78/80/63/572788063.db2.gz NHKZQXMAVSUKQE-WDEREUQCSA-N 1 0 184.327 2.010 10 30 AEEERO C#CCC[C@@H]([NH3+])C1(CCC)CC1 308131076 572788066 /nfs/dbraw/zinc/78/80/66/572788066.db2.gz XOCOQZRPFVRSGR-SNVBAGLBSA-N 1 0 165.280 2.307 10 30 AEEERO C=C(CC)C[C@H](N)[C@](C)(CC)[NH+](C)C 85745828 572788077 /nfs/dbraw/zinc/78/80/77/572788077.db2.gz GPLYNZRNHUZDLR-RYUDHWBXSA-N 1 0 198.354 2.400 10 30 AEEERO C#CCC(=O)[C@](C)(CC)[NH+](CC)CC 85747264 572788085 /nfs/dbraw/zinc/78/80/85/572788085.db2.gz QQMJVPBPVJKOPJ-LBPRGKRZSA-N 1 0 195.306 2.089 10 30 AEEERO CCC/N=C(/Cl)C[NH2+]CCC 307768073 572788191 /nfs/dbraw/zinc/78/81/91/572788191.db2.gz CKPOYYFMCNKJFK-DHZHZOJOSA-N 1 0 176.691 2.033 10 30 AEEERO C=C[C@H](C)[N@@H+]1CCC[C@H]1C 306802130 572788227 /nfs/dbraw/zinc/78/82/27/572788227.db2.gz SWWVCRKFCPIBAQ-DTWKUNHWSA-N 1 0 139.242 2.045 10 30 AEEERO C=C(CC)C[C@@H](N)[C@@](C)(CC)[NH+](C)C 85745826 572788232 /nfs/dbraw/zinc/78/82/32/572788232.db2.gz GPLYNZRNHUZDLR-VXGBXAGGSA-N 1 0 198.354 2.400 10 30 AEEERO C#CCC(=O)[C@@](C)(CC)[NH+](CC)CC 85747268 572788279 /nfs/dbraw/zinc/78/82/79/572788279.db2.gz QQMJVPBPVJKOPJ-GFCCVEGCSA-N 1 0 195.306 2.089 10 30 AEEERO C=C[C@@H]([NH2+]CCC)[C@](C)(CC)N(C)C 85747043 572788302 /nfs/dbraw/zinc/78/83/02/572788302.db2.gz ITSSUZFFILIIQD-NEPJUHHUSA-N 1 0 198.354 2.271 10 30 AEEERO C=C(CC)C[C@H](O)[C@@](C)(CC)[NH+](C)C 85744820 572788307 /nfs/dbraw/zinc/78/83/07/572788307.db2.gz MPILHFYTJXHADS-NWDGAFQWSA-N 1 0 199.338 2.434 10 30 AEEERO C=C(CC)C[N@@H+]1CCC[C@@H]2C[C@@H]21 306816879 572788308 /nfs/dbraw/zinc/78/83/08/572788308.db2.gz BKXOWVZQXYAZNI-MNOVXSKESA-N 1 0 165.280 2.437 10 30 AEEERO C=CC[C@H](N)C(C)(C)[NH+]1CCCCC1 85741427 572788317 /nfs/dbraw/zinc/78/83/17/572788317.db2.gz CAXLWCCOXXHLDK-NSHDSACASA-N 1 0 196.338 2.154 10 30 AEEERO C=CCCC[C@@H]([NH2+]C)C(C)(C)N(C)C 85737793 572788388 /nfs/dbraw/zinc/78/83/88/572788388.db2.gz LWHNVYTUSYAVBV-LLVKDONJSA-N 1 0 198.354 2.271 10 30 AEEERO C=CC[C@@H](O)[C@](C)(CC)[NH+](CC)CC 85747560 572788423 /nfs/dbraw/zinc/78/84/23/572788423.db2.gz VLOUDJRRWBUPGL-NEPJUHHUSA-N 1 0 199.338 2.434 10 30 AEEERO C=C[C@@H](N)[C@](C)(CC)[NH+](CC)CC 85747795 572788467 /nfs/dbraw/zinc/78/84/67/572788467.db2.gz XRNMXJBOZAYFFB-MNOVXSKESA-N 1 0 184.327 2.010 10 30 AEEERO C=CC[N@@H+](CCC#N)[C@H](C)C1CC1 308131400 572788504 /nfs/dbraw/zinc/78/85/04/572788504.db2.gz BEKOYOOWNMMBPG-SNVBAGLBSA-N 1 0 178.279 2.187 10 30 AEEERO C=CC[C@@H](O)C(C)(C)[NH+](CC)CC 85738701 572788606 /nfs/dbraw/zinc/78/86/06/572788606.db2.gz DZLWBWMNRVWRIT-SNVBAGLBSA-N 1 0 185.311 2.044 10 30 AEEERO C=CCCC(=O)[C@@](C)(CC)[NH+](C)C 85743638 572788673 /nfs/dbraw/zinc/78/86/73/572788673.db2.gz GMKQZIFNBWNBTN-LLVKDONJSA-N 1 0 183.295 2.252 10 30 AEEERO C#CCC[C@H]([NH3+])C1(CCC)CC1 308131075 572788679 /nfs/dbraw/zinc/78/86/79/572788679.db2.gz XOCOQZRPFVRSGR-JTQLQIEISA-N 1 0 165.280 2.307 10 30 AEEERO C=CC[C@H](O)[C@@](C)(CC)[NH+](CC)CC 85747570 572788686 /nfs/dbraw/zinc/78/86/86/572788686.db2.gz VLOUDJRRWBUPGL-NWDGAFQWSA-N 1 0 199.338 2.434 10 30 AEEERO N#CCCCC[C@@H]1CCC[NH2+]C1 238544028 572788714 /nfs/dbraw/zinc/78/87/14/572788714.db2.gz CCRFYHBPLMRRFI-SNVBAGLBSA-N 1 0 166.268 2.070 10 30 AEEERO C=C[C@H]([NH2+]CC)C(C)(C)N(CC)CC 85739513 572788753 /nfs/dbraw/zinc/78/87/53/572788753.db2.gz SFACWJJYZAQGSN-NSHDSACASA-N 1 0 198.354 2.271 10 30 AEEERO N#CCCCCC1CC[NH2+]CC1 238543700 572789706 /nfs/dbraw/zinc/78/97/06/572789706.db2.gz LWWUGGKVHHERMP-UHFFFAOYSA-N 1 0 166.268 2.070 10 30 AEEERO C=C(C)CCNc1[nH+]cc(C)cc1N 306849144 572788799 /nfs/dbraw/zinc/78/87/99/572788799.db2.gz NJTVKZSRPKQUOI-UHFFFAOYSA-N 1 0 191.278 2.350 10 30 AEEERO C=CCCC(=O)[C@](C)(CC)[NH+](C)C 85743635 572788800 /nfs/dbraw/zinc/78/88/00/572788800.db2.gz GMKQZIFNBWNBTN-NSHDSACASA-N 1 0 183.295 2.252 10 30 AEEERO C=C[C@H](N)[C@](C)(CC)[NH+](CC)CC 85747801 572788824 /nfs/dbraw/zinc/78/88/24/572788824.db2.gz XRNMXJBOZAYFFB-QWRGUYRKSA-N 1 0 184.327 2.010 10 30 AEEERO C#CC[C@@H]([NH3+])c1ccc(C)cc1OC 234844494 572788827 /nfs/dbraw/zinc/78/88/27/572788827.db2.gz WWFPRKLZCHUPKS-LLVKDONJSA-N 1 0 189.258 2.027 10 30 AEEERO C#CCC[NH2+][C@@H]1CCCC12CCC2 306835632 572788838 /nfs/dbraw/zinc/78/88/38/572788838.db2.gz SSIONQXXGRMVFK-LLVKDONJSA-N 1 0 177.291 2.322 10 30 AEEERO CC#CCC(=O)C(C)(C)[NH+](CC)CC 85738528 572788841 /nfs/dbraw/zinc/78/88/41/572788841.db2.gz MRGJCIAAIPEFKK-UHFFFAOYSA-N 1 0 195.306 2.089 10 30 AEEERO C=CC[C@@H](N)[C@](C)(CC)[NH+](CC)CC 85747955 572788890 /nfs/dbraw/zinc/78/88/90/572788890.db2.gz MDUKQQUKWAXGFW-NEPJUHHUSA-N 1 0 198.354 2.400 10 30 AEEERO C=CCC[C@H](N)C(C)(C)[NH+](CC)CC 85739211 572788925 /nfs/dbraw/zinc/78/89/25/572788925.db2.gz DGPFAIBGRBMOBN-NSHDSACASA-N 1 0 198.354 2.400 10 30 AEEERO C=C[C@@H]([NH2+]CC)C(C)(C)N1CCCC1 85740822 572788975 /nfs/dbraw/zinc/78/89/75/572788975.db2.gz IFRCBFFZBXGTMI-LLVKDONJSA-N 1 0 196.338 2.025 10 30 AEEERO C=CC[C@@H](N)C(C)(C)[NH+]1CCCCC1 85741426 572789788 /nfs/dbraw/zinc/78/97/88/572789788.db2.gz CAXLWCCOXXHLDK-LLVKDONJSA-N 1 0 196.338 2.154 10 30 AEEERO C=CCC[C@H](N)[C@](C)(CC)[NH+](C)C 85745818 572789197 /nfs/dbraw/zinc/78/91/97/572789197.db2.gz NHKZQXMAVSUKQE-QWRGUYRKSA-N 1 0 184.327 2.010 10 30 AEEERO C=CC[C@H]([NH2+]C)C(C)(C)N(CC)CC 85739422 572789237 /nfs/dbraw/zinc/78/92/37/572789237.db2.gz AYFCKLCVICGIGH-NSHDSACASA-N 1 0 198.354 2.271 10 30 AEEERO C=CC[C@@H](O)[C@@](C)(CC)[NH+](CC)CC 85747563 572790958 /nfs/dbraw/zinc/79/09/58/572790958.db2.gz VLOUDJRRWBUPGL-VXGBXAGGSA-N 1 0 199.338 2.434 10 30 AEEERO C=CCC[C@@H](N)[C@](C)(CC)[NH+](C)C 85745811 572789340 /nfs/dbraw/zinc/78/93/40/572789340.db2.gz NHKZQXMAVSUKQE-MNOVXSKESA-N 1 0 184.327 2.010 10 30 AEEERO C=C([C@H](CC)[NH2+]C)C(F)(F)F 307732256 572789416 /nfs/dbraw/zinc/78/94/16/572789416.db2.gz PCUJMOVCAZYMOF-LURJTMIESA-N 1 0 167.174 2.103 10 30 AEEERO N#CCCCC[C@H]1CCC[NH2+]C1 238544095 572789478 /nfs/dbraw/zinc/78/94/78/572789478.db2.gz CCRFYHBPLMRRFI-JTQLQIEISA-N 1 0 166.268 2.070 10 30 AEEERO C=CCC[C@H](O)[C@](C)(CC)[NH+](C)C 85744694 572789499 /nfs/dbraw/zinc/78/94/99/572789499.db2.gz YXUGOKLUIPFCPG-QWRGUYRKSA-N 1 0 185.311 2.044 10 30 AEEERO C=CCC[C@H](O)[C@@](C)(CC)[NH+](C)C 85744698 572789509 /nfs/dbraw/zinc/78/95/09/572789509.db2.gz YXUGOKLUIPFCPG-WDEREUQCSA-N 1 0 185.311 2.044 10 30 AEEERO C=C(CC)C[C@@H](O)[C@@](C)(CC)[NH+](C)C 85744824 572789567 /nfs/dbraw/zinc/78/95/67/572789567.db2.gz MPILHFYTJXHADS-VXGBXAGGSA-N 1 0 199.338 2.434 10 30 AEEERO C=CC[C@@H]([NH2+]CC)[C@](C)(CC)N(C)C 85746875 572789655 /nfs/dbraw/zinc/78/96/55/572789655.db2.gz YKVWTZNRLZKUDZ-NEPJUHHUSA-N 1 0 198.354 2.271 10 30 AEEERO C=C[C@H]([NH2+]C)C(C)(C)N1CCCCC1 85741521 572789721 /nfs/dbraw/zinc/78/97/21/572789721.db2.gz JCJMWEQEUOVBSA-NSHDSACASA-N 1 0 196.338 2.025 10 30 AEEERO C=CCCC[C@@H](N)[C@@](C)(CC)[NH+](C)C 85745972 572789687 /nfs/dbraw/zinc/78/96/87/572789687.db2.gz OBKNRODAWKDDKS-VXGBXAGGSA-N 1 0 198.354 2.400 10 30 AEEERO C=CC[C@H](N)C(C)(C)[NH+](CC)CC 85739175 572789814 /nfs/dbraw/zinc/78/98/14/572789814.db2.gz HSRCQOWRPPSOJJ-JTQLQIEISA-N 1 0 184.327 2.010 10 30 AEEERO C=CCCCC1(C[NH3+])CCOCC1 308127764 572789829 /nfs/dbraw/zinc/78/98/29/572789829.db2.gz BYQBAQZCUAFFNZ-UHFFFAOYSA-N 1 0 183.295 2.098 10 30 AEEERO C=CC[C@@H](N)[C@@](C)(CC)[NH+](CC)CC 85747957 572789960 /nfs/dbraw/zinc/78/99/60/572789960.db2.gz MDUKQQUKWAXGFW-VXGBXAGGSA-N 1 0 198.354 2.400 10 30 AEEERO C=CCC[C@@H]([NH2+]CC)C(C)(C)N(C)C 85738116 572789973 /nfs/dbraw/zinc/78/99/73/572789973.db2.gz LFABXOFWSBWCAY-LLVKDONJSA-N 1 0 198.354 2.271 10 30 AEEERO C=CCC[C@@H]([NH2+]C)[C@](C)(CC)N(C)C 85746504 572790074 /nfs/dbraw/zinc/79/00/74/572790074.db2.gz MJBHJRYQZPFFKN-NEPJUHHUSA-N 1 0 198.354 2.271 10 30 AEEERO C=C(CC)C[C@H](N)[C@@](C)(CC)[NH+](C)C 85745824 572790144 /nfs/dbraw/zinc/79/01/44/572790144.db2.gz GPLYNZRNHUZDLR-NWDGAFQWSA-N 1 0 198.354 2.400 10 30 AEEERO C=CC[C@H]([NH2+]CC)[C@](C)(CC)N(C)C 85746879 572790152 /nfs/dbraw/zinc/79/01/52/572790152.db2.gz YKVWTZNRLZKUDZ-RYUDHWBXSA-N 1 0 198.354 2.271 10 30 AEEERO C=C(CC)C[C@@H](N)[C@](C)(CC)[NH+](C)C 85745830 572790212 /nfs/dbraw/zinc/79/02/12/572790212.db2.gz GPLYNZRNHUZDLR-NEPJUHHUSA-N 1 0 198.354 2.400 10 30 AEEERO N#CCCCC[C@H]1CCC[NH2+]CC1 238544115 572791359 /nfs/dbraw/zinc/79/13/59/572791359.db2.gz UFFNXGCXODTXPK-NSHDSACASA-N 1 0 180.295 2.460 10 30 AEEERO C=CCC[C@H]([NH2+]CC)C(C)(C)N(C)C 85738114 572790368 /nfs/dbraw/zinc/79/03/68/572790368.db2.gz LFABXOFWSBWCAY-NSHDSACASA-N 1 0 198.354 2.271 10 30 AEEERO C=CC[C@H](O)C(C)(C)[NH+]1CCCCC1 85741223 572790657 /nfs/dbraw/zinc/79/06/57/572790657.db2.gz SUISOTBJPWIYCH-NSHDSACASA-N 1 0 197.322 2.188 10 30 AEEERO C=CCC[C@@H](O)[C@@](C)(CC)[NH+](C)C 85744692 572790663 /nfs/dbraw/zinc/79/06/63/572790663.db2.gz YXUGOKLUIPFCPG-GHMZBOCLSA-N 1 0 185.311 2.044 10 30 AEEERO C=CC[C@H](O)C(C)(C)[NH+](CC)CC 85738702 572790685 /nfs/dbraw/zinc/79/06/85/572790685.db2.gz DZLWBWMNRVWRIT-JTQLQIEISA-N 1 0 185.311 2.044 10 30 AEEERO C=C[C@@H]([NH2+]CC)C(C)(C)N(CC)CC 85739517 572790694 /nfs/dbraw/zinc/79/06/94/572790694.db2.gz SFACWJJYZAQGSN-LLVKDONJSA-N 1 0 198.354 2.271 10 30 AEEERO C=CC(=O)[C@@](C)(CC)[NH+](CC)CC 85747298 572790747 /nfs/dbraw/zinc/79/07/47/572790747.db2.gz XEDCYAQFZWYCQM-LLVKDONJSA-N 1 0 183.295 2.252 10 30 AEEERO C=CC[C@@H]([NH2+]C)C(C)(C)N(CC)CC 85739416 572791419 /nfs/dbraw/zinc/79/14/19/572791419.db2.gz AYFCKLCVICGIGH-LLVKDONJSA-N 1 0 198.354 2.271 10 30 AEEERO C=C[C@@H](N)[C@@](C)(CC)[NH+](CC)CC 85747800 572790854 /nfs/dbraw/zinc/79/08/54/572790854.db2.gz XRNMXJBOZAYFFB-GHMZBOCLSA-N 1 0 184.327 2.010 10 30 AEEERO C=CCC[C@H](O)C(C)(C)[NH+]1CCCC1 85740190 572790827 /nfs/dbraw/zinc/79/08/27/572790827.db2.gz UEBGFTMGNHUQLY-NSHDSACASA-N 1 0 197.322 2.188 10 30 AEEERO C=CCCC(=O)C(C)(C)[NH+]1CCCC1 85739878 572790919 /nfs/dbraw/zinc/79/09/19/572790919.db2.gz ZIFHSHKHVZDCEH-UHFFFAOYSA-N 1 0 195.306 2.396 10 30 AEEERO CC#CCCC(C)(C)C[NH2+]C 307741694 572790944 /nfs/dbraw/zinc/79/09/44/572790944.db2.gz RPIWKUQXLSMOJE-UHFFFAOYSA-N 1 0 153.269 2.036 10 30 AEEERO CC(C)C(N)=[NH+]OCC=C1CCC1 308131774 572791628 /nfs/dbraw/zinc/79/16/28/572791628.db2.gz BJELRLCIWNISGR-UHFFFAOYSA-N 1 0 182.267 2.042 10 30 AEEERO C=CCCCCC[NH2+]CCCCO 236497044 572791011 /nfs/dbraw/zinc/79/10/11/572791011.db2.gz QMGOMRUOBLGFDU-UHFFFAOYSA-N 1 0 185.311 2.095 10 30 AEEERO C=CC(=O)[C@](C)(CC)[NH+](CC)CC 85747296 572791040 /nfs/dbraw/zinc/79/10/40/572791040.db2.gz XEDCYAQFZWYCQM-NSHDSACASA-N 1 0 183.295 2.252 10 30 AEEERO C=CCCC[C@H](O)[C@](C)(CC)[NH+](C)C 85744774 572791048 /nfs/dbraw/zinc/79/10/48/572791048.db2.gz GNBDTCSWUJKACM-RYUDHWBXSA-N 1 0 199.338 2.434 10 30 AEEERO C=CC[C@H](N)[C@@](C)(CC)[NH+](CC)CC 85747964 572791084 /nfs/dbraw/zinc/79/10/84/572791084.db2.gz MDUKQQUKWAXGFW-NWDGAFQWSA-N 1 0 198.354 2.400 10 30 AEEERO C=C(C)C[NH2+][C@@H]1CC[C@@H]1CC 307702660 572791089 /nfs/dbraw/zinc/79/10/89/572791089.db2.gz PSKLOGJHYSHXCY-VHSXEESVSA-N 1 0 153.269 2.341 10 30 AEEERO C=C[C@H](N)[C@@](C)(CC)[NH+](CC)CC 85747805 572791108 /nfs/dbraw/zinc/79/11/08/572791108.db2.gz XRNMXJBOZAYFFB-WDEREUQCSA-N 1 0 184.327 2.010 10 30 AEEERO C=CCCC[C@@H](O)[C@@](C)(CC)[NH+](C)C 85744770 572791201 /nfs/dbraw/zinc/79/12/01/572791201.db2.gz GNBDTCSWUJKACM-VXGBXAGGSA-N 1 0 199.338 2.434 10 30 AEEERO C=CCCC[C@@H](O)[C@](C)(CC)[NH+](C)C 85744767 572791215 /nfs/dbraw/zinc/79/12/15/572791215.db2.gz GNBDTCSWUJKACM-NEPJUHHUSA-N 1 0 199.338 2.434 10 30 AEEERO C=CCCC[C@H]([NH2+]C)C(C)(C)N(C)C 85737796 572791458 /nfs/dbraw/zinc/79/14/58/572791458.db2.gz LWHNVYTUSYAVBV-NSHDSACASA-N 1 0 198.354 2.271 10 30 AEEERO N#CCCCC[C@@H]1CCC[NH2+]CC1 238544051 572791467 /nfs/dbraw/zinc/79/14/67/572791467.db2.gz UFFNXGCXODTXPK-LLVKDONJSA-N 1 0 180.295 2.460 10 30 AEEERO C=CCCC[C@H](N)[C@](C)(CC)[NH+](C)C 85745986 572791489 /nfs/dbraw/zinc/79/14/89/572791489.db2.gz OBKNRODAWKDDKS-RYUDHWBXSA-N 1 0 198.354 2.400 10 30 AEEERO C=C(C)C[C@H]([NH3+])C(C)(C)SC 307756230 572791517 /nfs/dbraw/zinc/79/15/17/572791517.db2.gz HGFPUWSFBGJONR-QMMMGPOBSA-N 1 0 173.325 2.422 10 30 AEEERO C=CC[C@@H](N)C(C)(C)[NH+](CC)CC 85739172 572791595 /nfs/dbraw/zinc/79/15/95/572791595.db2.gz HSRCQOWRPPSOJJ-SNVBAGLBSA-N 1 0 184.327 2.010 10 30 AEEERO C=C[C@H]([NH2+]CCC)[C@@](C)(CC)N(C)C 85747034 572791616 /nfs/dbraw/zinc/79/16/16/572791616.db2.gz ITSSUZFFILIIQD-NWDGAFQWSA-N 1 0 198.354 2.271 10 30 AEEERO C=C[C@@H]([NH2+]C)C(C)(C)N1CCCCC1 85741520 572791618 /nfs/dbraw/zinc/79/16/18/572791618.db2.gz JCJMWEQEUOVBSA-LLVKDONJSA-N 1 0 196.338 2.025 10 30 AEEERO C=C(C)CC1(C[NH2+]C)CCC1 307739914 572791649 /nfs/dbraw/zinc/79/16/49/572791649.db2.gz MGBKJARNQXEOOB-UHFFFAOYSA-N 1 0 153.269 2.342 10 30 AEEERO C=C(C)[C@@H]([NH2+]C)C(C)(C)SC 307721805 572791794 /nfs/dbraw/zinc/79/17/94/572791794.db2.gz XDASTUCQDYGJJF-MRVPVSSYSA-N 1 0 173.325 2.292 10 30 AEEERO C=CC[C@H](N)[C@](C)(CC)[NH+]1CCCC1 85748993 572791986 /nfs/dbraw/zinc/79/19/86/572791986.db2.gz BFHNAVWHTCRZKS-RYUDHWBXSA-N 1 0 196.338 2.154 10 30 AEEERO C=CC[C@@H](O)[C@@](C)(CC)[NH+]1CCCC1 85748718 572792022 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2.154 10 30 AEEERO C#CC[N@@H+](C)[C@@H]1CC2CCC1CC2 306820407 572793617 /nfs/dbraw/zinc/79/36/17/572793617.db2.gz DNCVTYLHFYMFHV-HTAVTVPLSA-N 1 0 177.291 2.130 10 30 AEEERO C=C[C@H](NC)[C@@](C)(CC)[NH+](CC)CC 85748123 572793680 /nfs/dbraw/zinc/79/36/80/572793680.db2.gz UMDSSUSJAXJBEG-NWDGAFQWSA-N 1 0 198.354 2.271 10 30 AEEERO C=CC[C@H](O)[C@](C)(CC)[NH+]1CCCC1 85748719 572793705 /nfs/dbraw/zinc/79/37/05/572793705.db2.gz IUAWSTKLJHVBOH-RYUDHWBXSA-N 1 0 197.322 2.188 10 30 AEEERO C=C[C@@H](NC)[C@](C)(CC)[NH+]1CCCC1 85749087 572793709 /nfs/dbraw/zinc/79/37/09/572793709.db2.gz UOVCPZMVHGVYAC-NEPJUHHUSA-N 1 0 196.338 2.025 10 30 AEEERO C=CC[C@@H]([NH2+]C)C(CC)(CC)N(C)C 85750845 572794217 /nfs/dbraw/zinc/79/42/17/572794217.db2.gz YWRRIZBREWSSKP-LLVKDONJSA-N 1 0 198.354 2.271 10 30 AEEERO C=C[C@H](N)[C@@](C)(CC)[NH+]1CCCCC1 85749544 572794291 /nfs/dbraw/zinc/79/42/91/572794291.db2.gz GTWNXLLSGGRJSC-NWDGAFQWSA-N 1 0 196.338 2.154 10 30 AEEERO C#CCCC[N@@H+]1CCC2(CCC2)C1 307727105 572794622 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/nfs/dbraw/zinc/94/53/61/572945361.db2.gz IWZOJHOVGMDBQG-NOOOWODRSA-N 1 0 177.291 2.176 10 30 AEEERO C[C@]([NH3+])(C(=O)C1=CCCCC1)C1CC1 235423685 572945647 /nfs/dbraw/zinc/94/56/47/572945647.db2.gz KSCLUZBFTAOZIR-GFCCVEGCSA-N 1 0 193.290 2.183 10 30 AEEERO C=CCCC[N@H+]1CCC[C@@H]1CC(C)=O 86497869 572945805 /nfs/dbraw/zinc/94/58/05/572945805.db2.gz HHVDEOGAFFMILP-GFCCVEGCSA-N 1 0 195.306 2.396 10 30 AEEERO C=C[C@@H](C)[N@@H+]1CCCC[C@@H]1CC(C)=O 86499166 572945900 /nfs/dbraw/zinc/94/59/00/572945900.db2.gz HRMHYUGDKUISQY-ZYHUDNBSSA-N 1 0 195.306 2.395 10 30 AEEERO C=CCC[N@H+]1CCC[C@@H]1CC(C)=O 86497446 572945914 /nfs/dbraw/zinc/94/59/14/572945914.db2.gz BGWHZCVXXCUFJJ-LLVKDONJSA-N 1 0 181.279 2.006 10 30 AEEERO C=C[C@H](C)[N@@H+]1CCC[C@@H]1CC(C)=O 86497914 572945936 /nfs/dbraw/zinc/94/59/36/572945936.db2.gz AMUXRDDUGHBSJM-GXSJLCMTSA-N 1 0 181.279 2.004 10 30 AEEERO C=CCC[N@H+]1CCC[C@H]1CC(C)=O 86497443 572946054 /nfs/dbraw/zinc/94/60/54/572946054.db2.gz BGWHZCVXXCUFJJ-NSHDSACASA-N 1 0 181.279 2.006 10 30 AEEERO C=C(C)C[N@@H+]1CCCC[C@@H]1CC(C)=O 86499129 572946184 /nfs/dbraw/zinc/94/61/84/572946184.db2.gz DUXLQZBWZZNELB-GFCCVEGCSA-N 1 0 195.306 2.396 10 30 AEEERO C=CC[C@H](C)[C@@H](C)N(CC)CC#N 308208880 572946201 /nfs/dbraw/zinc/94/62/01/572946201.db2.gz FENXNHDIZJNKMT-WDEREUQCSA-N 1 0 180.295 2.433 10 30 AEEERO C=C(C)C[N@@H+]1CCCC[C@H]1CC(C)=O 86499130 572946252 /nfs/dbraw/zinc/94/62/52/572946252.db2.gz DUXLQZBWZZNELB-LBPRGKRZSA-N 1 0 195.306 2.396 10 30 AEEERO C=C(CC)C[N@@H+]1CCC[C@H]1CC(C)=O 86497564 572946256 /nfs/dbraw/zinc/94/62/56/572946256.db2.gz KAAHKYXJOVDXST-LBPRGKRZSA-N 1 0 195.306 2.396 10 30 AEEERO C=CC[C@H]([NH3+])c1cc2ccncc2[nH]1 713787199 572946503 /nfs/dbraw/zinc/94/65/03/572946503.db2.gz RWUVKIJWJWJULZ-VIFPVBQESA-N 1 0 187.246 2.139 10 30 AEEERO C=C(C)C[N@@H+]1CCC[C@H]1CC(C)=O 86497799 572946520 /nfs/dbraw/zinc/94/65/20/572946520.db2.gz CGRIVWMFKBMOSG-NSHDSACASA-N 1 0 181.279 2.006 10 30 AEEERO C=CC[N@H+]1CCCC[C@H]1CC(C)=O 86499145 572946575 /nfs/dbraw/zinc/94/65/75/572946575.db2.gz SURRPMRPHJPHBY-NSHDSACASA-N 1 0 181.279 2.006 10 30 AEEERO C=CC[C@@H](C)[NH2+]C/C=C/Cl 235421251 572946602 /nfs/dbraw/zinc/94/66/02/572946602.db2.gz YYVJPNKMFRWRKO-YZCDNWJKSA-N 1 0 159.660 2.293 10 30 AEEERO C=C(CC)C[N@@H+]1CCC[C@@H]1CC(C)=O 86497562 572946665 /nfs/dbraw/zinc/94/66/65/572946665.db2.gz KAAHKYXJOVDXST-GFCCVEGCSA-N 1 0 195.306 2.396 10 30 AEEERO C=CC[C@@H](C)[NH2+][C@@H](C)C=C 235424662 572947022 /nfs/dbraw/zinc/94/70/22/572947022.db2.gz VIEYWWZUFPDWIA-DTWKUNHWSA-N 1 0 139.242 2.115 10 30 AEEERO C#CCCC[N@@H+](CC=C)C1CC1 308103146 572947343 /nfs/dbraw/zinc/94/73/43/572947343.db2.gz GTIRDAYSTWAWRZ-UHFFFAOYSA-N 1 0 163.264 2.050 10 30 AEEERO C=C(C)Cn1ccc(C[NH3+])c1CC 308208583 572947674 /nfs/dbraw/zinc/94/76/74/572947674.db2.gz VGDPKYQLGYCMPQ-UHFFFAOYSA-N 1 0 178.279 2.085 10 30 AEEERO C#CCSCC[NH2+]C1CC(CC)C1 308213801 572949406 /nfs/dbraw/zinc/94/94/06/572949406.db2.gz HVGRLDAKVVTIBZ-UHFFFAOYSA-N 1 0 197.347 2.131 10 30 AEEERO C[N@H+](CC=NO)C1CCCCCC1 714615394 572949837 /nfs/dbraw/zinc/94/98/37/572949837.db2.gz HBPGZJULDYXHDP-UHFFFAOYSA-N 1 0 184.283 2.101 10 30 AEEERO CC(C)(C)CC(C)(C)[NH2+]C[C@H]1CO1 238145694 572949962 /nfs/dbraw/zinc/94/99/62/572949962.db2.gz XMMOIUNAGBNHPI-VIFPVBQESA-N 1 0 185.311 2.190 10 30 AEEERO C=C[C@H]([NH3+])c1cc2occc2n1CC 713793970 572949981 /nfs/dbraw/zinc/94/99/81/572949981.db2.gz DLMXZWAINGDIOH-QMMMGPOBSA-N 1 0 190.246 2.440 10 30 AEEERO C=C[C@H](O)C[NH2+]C(C)(C)CC(C)(C)C 238145567 572950094 /nfs/dbraw/zinc/95/00/94/572950094.db2.gz ZMVPZXWOZVARCK-JTQLQIEISA-N 1 0 199.338 2.338 10 30 AEEERO C=C[C@@H]([NH3+])c1cc2occc2n1CC 713793967 572950304 /nfs/dbraw/zinc/95/03/04/572950304.db2.gz DLMXZWAINGDIOH-MRVPVSSYSA-N 1 0 190.246 2.440 10 30 AEEERO C=C(C)[C@@H]1CC=C(/C=N/CC[NH3+])CC1 238145704 572950929 /nfs/dbraw/zinc/95/09/29/572950929.db2.gz JQQRJCNDGRNKEV-ZMTLZGASSA-N 1 0 192.306 2.319 10 30 AEEERO CC(C)(C)CC(C)(C)[NH2+]C[C@@H]1CO1 238145620 572951534 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CCCN/C(CC1CCCCC1)=[NH+]/N 58564896 572954150 /nfs/dbraw/zinc/95/41/50/572954150.db2.gz VKZZWJYOMKZSBH-UHFFFAOYSA-N 1 0 197.326 2.229 10 30 AEEERO CC(C)/C(NC1CCCCCC1)=[NH+]/N 58565864 572954299 /nfs/dbraw/zinc/95/42/99/572954299.db2.gz ZDXVGSCHZPKHRX-UHFFFAOYSA-N 1 0 197.326 2.227 10 30 AEEERO CC[C@H](C)C(=NN)Nc1ccccc1 58565949 572954374 /nfs/dbraw/zinc/95/43/74/572954374.db2.gz RBTBSRMVAJLBGO-VIFPVBQESA-N 1 0 191.278 2.417 10 30 AEEERO CCCC(=NN)Nc1ccccc1 58565971 572954394 /nfs/dbraw/zinc/95/43/94/572954394.db2.gz BAGJOLRLAORAJV-UHFFFAOYSA-N 1 0 177.251 2.171 10 30 AEEERO CC(C)CC(=NN)Nc1ccccc1 58565927 572954457 /nfs/dbraw/zinc/95/44/57/572954457.db2.gz PIHODRGDWWZRSM-UHFFFAOYSA-N 1 0 191.278 2.417 10 30 AEEERO C[C@@H]1C[C@@H]1C(=NN)Nc1ccccc1 58566028 572954666 /nfs/dbraw/zinc/95/46/66/572954666.db2.gz SEYIMUZBTPMWBY-SCZZXKLOSA-N 1 0 189.262 2.027 10 30 AEEERO CC(C)(C)N/C(CC1CCCC1)=[NH+]/N 58565377 572954670 /nfs/dbraw/zinc/95/46/70/572954670.db2.gz XUJOTOORELGUGL-UHFFFAOYSA-N 1 0 197.326 2.227 10 30 AEEERO CC(C)C(=NN)Nc1ccccc1 58566054 572954675 /nfs/dbraw/zinc/95/46/75/572954675.db2.gz ATYWTAATSCAYQN-UHFFFAOYSA-N 1 0 177.251 2.027 10 30 AEEERO CC(C)N/C(CC1CCCCC1)=[NH+]/N 58565078 572954791 /nfs/dbraw/zinc/95/47/91/572954791.db2.gz FTQUTSAUMLFDDQ-UHFFFAOYSA-N 1 0 197.326 2.227 10 30 AEEERO C[C@H]1C[C@H]1C(=NN)Nc1ccccc1 58566034 572954844 /nfs/dbraw/zinc/95/48/44/572954844.db2.gz SEYIMUZBTPMWBY-WCBMZHEXSA-N 1 0 189.262 2.027 10 30 AEEERO CC(C)=CCCC[N@@H+]1CCC[C@@H]1C=O 238144727 572954904 /nfs/dbraw/zinc/95/49/04/572954904.db2.gz XRULMAAERDNMOP-GFCCVEGCSA-N 1 0 195.306 2.396 10 30 AEEERO CCC1CC[NH+](CC(C)(C)C=O)CC1 51204594 572955106 /nfs/dbraw/zinc/95/51/06/572955106.db2.gz WMDJYLCGXCVACY-UHFFFAOYSA-N 1 0 197.322 2.334 10 30 AEEERO C=CC[C@H]([NH3+])c1[nH]cc(C)c1C 713794820 572955563 /nfs/dbraw/zinc/95/55/63/572955563.db2.gz HAEWINYQROJBFN-VIFPVBQESA-N 1 0 164.252 2.207 10 30 AEEERO C=CCOc1ccc(C(C)(C)[NH3+])cc1 238154196 572955964 /nfs/dbraw/zinc/95/59/64/572955964.db2.gz BVWALQCEWSMPNN-UHFFFAOYSA-N 1 0 191.274 2.445 10 30 AEEERO C=CC[C@@H]([NH3+])c1[nH]cc(C)c1C 713794817 572956005 /nfs/dbraw/zinc/95/60/05/572956005.db2.gz HAEWINYQROJBFN-SECBINFHSA-N 1 0 164.252 2.207 10 30 AEEERO C#CC/C(C)=C\CC[NH2+]C(C)C 86572777 572956913 /nfs/dbraw/zinc/95/69/13/572956913.db2.gz KXILAULNNPLWBB-FLIBITNWSA-N 1 0 165.280 2.344 10 30 AEEERO C#CCC/C(C)=C/CC[NH2+]C1CC1 86572909 572957253 /nfs/dbraw/zinc/95/72/53/572957253.db2.gz OHJAKBQHDRORRY-YRNVUSSQSA-N 1 0 177.291 2.488 10 30 AEEERO CC(C)[C@H]([NH3+])CC#C[Si](C)(C)C 208272448 572957405 /nfs/dbraw/zinc/95/74/05/572957405.db2.gz RCSQDZKGVUDHFP-SNVBAGLBSA-N 1 0 183.371 2.241 10 30 AEEERO C=CC/C(C)=C\CC[NH2+]CCOC 86573067 572957538 /nfs/dbraw/zinc/95/75/38/572957538.db2.gz KPMADSNVMSDETQ-XFFZJAGNSA-N 1 0 183.295 2.135 10 30 AEEERO C#CCC/C=C/CC[NH2+]C1CC1 86571920 572957626 /nfs/dbraw/zinc/95/76/26/572957626.db2.gz LKHDMFCAWHTUJO-AATRIKPKSA-N 1 0 163.264 2.098 10 30 AEEERO C#CC/C(C)=C/CC[NH2+]C1CC1 86572876 572957712 /nfs/dbraw/zinc/95/77/12/572957712.db2.gz ZPUFPXUEDPWDSL-UXBLZVDNSA-N 1 0 163.264 2.098 10 30 AEEERO CC/C(C)=C(\CC#N)SCC[NH3+] 205021195 572959403 /nfs/dbraw/zinc/95/94/03/572959403.db2.gz URJGFCJEALZCES-CMDGGOBGSA-N 1 0 184.308 2.276 10 30 AEEERO CC(C)[NH2+]CC/N=C/c1ccccc1 238165183 572959620 /nfs/dbraw/zinc/95/96/20/572959620.db2.gz OEKQFXWHINZPBZ-JLHYYAGUSA-N 1 0 190.290 2.104 10 30 AEEERO C=CC[C@](C)([NH3+])COCCC(C)C 238165684 572960037 /nfs/dbraw/zinc/96/00/37/572960037.db2.gz MQYCFQXMYHVLIG-NSHDSACASA-N 1 0 185.311 2.343 10 30 AEEERO CC(C)/N=C/C(C)(C)C[NH2+]C(C)C 238164631 572960275 /nfs/dbraw/zinc/96/02/75/572960275.db2.gz WVJDPRIZUPIGLJ-KPKJPENVSA-N 1 0 184.327 2.490 10 30 AEEERO C=CC[C@@](C)([NH3+])COCCC(C)C 238165828 572960854 /nfs/dbraw/zinc/96/08/54/572960854.db2.gz MQYCFQXMYHVLIG-LLVKDONJSA-N 1 0 185.311 2.343 10 30 AEEERO C=C[C@@H]([NH3+])c1cccnc1OC(C)C 238167098 572961131 /nfs/dbraw/zinc/96/11/31/572961131.db2.gz LLTGZUAUHPQLTD-SNVBAGLBSA-N 1 0 192.262 2.055 10 30 AEEERO C=CCOCC(C)(C)C[NH2+]CCC 86596176 572961792 /nfs/dbraw/zinc/96/17/92/572961792.db2.gz ANZKEWLJQLNWLA-UHFFFAOYSA-N 1 0 185.311 2.215 10 30 AEEERO C=CCCOCC(C)(C)C[NH2+]CC 86596193 572962131 /nfs/dbraw/zinc/96/21/31/572962131.db2.gz JHHDQIKKSSJZKI-UHFFFAOYSA-N 1 0 185.311 2.215 10 30 AEEERO C=CCOCC(C)(C)C[NH2+]C(C)C 86596179 572962512 /nfs/dbraw/zinc/96/25/12/572962512.db2.gz WZSLXXHFMCJDTI-UHFFFAOYSA-N 1 0 185.311 2.213 10 30 AEEERO C=C[C@H](C)O/C(NC(C)C)=[NH+]\C(C)C 238172871 572963795 /nfs/dbraw/zinc/96/37/95/572963795.db2.gz GVMJKSLHSMYCLK-JTQLQIEISA-N 1 0 198.310 2.340 10 30 AEEERO C=CCCOCC(C)(C)C[NH2+]C1CC1 86596206 572963144 /nfs/dbraw/zinc/96/31/44/572963144.db2.gz IEKXVVBMKPNJKB-UHFFFAOYSA-N 1 0 197.322 2.357 10 30 AEEERO C=CCCCOCC(C)(C)C[NH2+]C 86597372 572963284 /nfs/dbraw/zinc/96/32/84/572963284.db2.gz GFHQXUPPCIDYAF-UHFFFAOYSA-N 1 0 185.311 2.215 10 30 AEEERO C=C[C@@H](C)O/C(NC(C)C)=[NH+]\C(C)C 238172881 572963716 /nfs/dbraw/zinc/96/37/16/572963716.db2.gz GVMJKSLHSMYCLK-SNVBAGLBSA-N 1 0 198.310 2.340 10 30 AEEERO CCCCCCC[NH2+]CCN(C)C 59058309 572963933 /nfs/dbraw/zinc/96/39/33/572963933.db2.gz FXVCBMSVCYHROU-UHFFFAOYSA-N 1 0 186.343 2.108 10 30 AEEERO C=C(C)C[C@H]([NH2+]CCC)[C@@H](C)OC 86590059 572963956 /nfs/dbraw/zinc/96/39/56/572963956.db2.gz URAPMGAPPSPUST-MNOVXSKESA-N 1 0 185.311 2.356 10 30 AEEERO C=C(C)C[C@@H]([NH2+]CCC)[C@@H](C)OC 86590060 572964058 /nfs/dbraw/zinc/96/40/58/572964058.db2.gz URAPMGAPPSPUST-GHMZBOCLSA-N 1 0 185.311 2.356 10 30 AEEERO C=CCCC[C@@H]([NH2+]CC)[C@@H](C)OC 86579339 572964220 /nfs/dbraw/zinc/96/42/20/572964220.db2.gz ZAKMECHXEYOMJG-GHMZBOCLSA-N 1 0 185.311 2.356 10 30 AEEERO C=C(CC)C[C@H]([NH2+]CC)[C@@H](C)OC 86579668 572964393 /nfs/dbraw/zinc/96/43/93/572964393.db2.gz PGVKUBHVXDRSIQ-MNOVXSKESA-N 1 0 185.311 2.356 10 30 AEEERO C=CCC[C@@H]([NH2+]CCC)[C@H](C)OC 86580138 572964630 /nfs/dbraw/zinc/96/46/30/572964630.db2.gz PCSOXIDCHNTRGH-WDEREUQCSA-N 1 0 185.311 2.356 10 30 AEEERO C=CCC[C@H]([NH2+]CCC)[C@@H](C)OC 86580133 572964889 /nfs/dbraw/zinc/96/48/89/572964889.db2.gz PCSOXIDCHNTRGH-MNOVXSKESA-N 1 0 185.311 2.356 10 30 AEEERO C=C(CC)C[C@@H]([NH2+]CC)[C@@H](C)OC 86579670 572964857 /nfs/dbraw/zinc/96/48/57/572964857.db2.gz PGVKUBHVXDRSIQ-GHMZBOCLSA-N 1 0 185.311 2.356 10 30 AEEERO C=C(C)C[C@@H]([NH2+]CCC)[C@H](C)OC 86590065 572965279 /nfs/dbraw/zinc/96/52/79/572965279.db2.gz URAPMGAPPSPUST-WDEREUQCSA-N 1 0 185.311 2.356 10 30 AEEERO C=CC[NH2+]Cc1cc(C)n(CC)c1C 86592041 572965301 /nfs/dbraw/zinc/96/53/01/572965301.db2.gz NZQJDQYPBZFZPI-UHFFFAOYSA-N 1 0 192.306 2.400 10 30 AEEERO C=C/C=C/CCN(C)C(C)(C)C#N 713655095 572967941 /nfs/dbraw/zinc/96/79/41/572967941.db2.gz IBGZPDGYAVGPMM-VOTSOKGWSA-N 1 0 178.279 2.353 10 30 AEEERO C=C/C=C\CCN(C)C(C)(C)C#N 713655093 572968488 /nfs/dbraw/zinc/96/84/88/572968488.db2.gz IBGZPDGYAVGPMM-SREVYHEPSA-N 1 0 178.279 2.353 10 30 AEEERO CC1CCC(C[NH2+]CCS)CC1 238178197 572968841 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CCCC1C[NH+](CCCCC#N)C1 86681693 572973116 /nfs/dbraw/zinc/97/31/16/572973116.db2.gz BFVHPKIYWMNNHU-UHFFFAOYSA-N 1 0 180.295 2.412 10 30 AEEERO CCCCCCC[NH2+]CCCCO 59497443 572973430 /nfs/dbraw/zinc/97/34/30/572973430.db2.gz AJRDPLYXNDBQFJ-UHFFFAOYSA-N 1 0 187.327 2.319 10 30 AEEERO CCC1(CC)C[NH+](CCCC#N)C1 86681314 572973459 /nfs/dbraw/zinc/97/34/59/572973459.db2.gz TYSRNXCCNWEBPA-UHFFFAOYSA-N 1 0 180.295 2.412 10 30 AEEERO CCC1C[NH+]([C@@H](CC)CC#N)C1 86681510 572973495 /nfs/dbraw/zinc/97/34/95/572973495.db2.gz VAINTBOBGLKFHG-JTQLQIEISA-N 1 0 166.268 2.020 10 30 AEEERO C=CC[C@@]1(O)CCC[N@@H+](CCC)CC1 86716062 572973512 /nfs/dbraw/zinc/97/35/12/572973512.db2.gz VPDZKIMVZZHNEB-GFCCVEGCSA-N 1 0 197.322 2.190 10 30 AEEERO CCC1C[NH+]([C@H](CC)CC#N)C1 86681512 572973521 /nfs/dbraw/zinc/97/35/21/572973521.db2.gz VAINTBOBGLKFHG-SNVBAGLBSA-N 1 0 166.268 2.020 10 30 AEEERO CCCC1C[NH+](CCCC#N)C1 86681330 572973580 /nfs/dbraw/zinc/97/35/80/572973580.db2.gz WSHXBRAFJUCOSI-UHFFFAOYSA-N 1 0 166.268 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189.262 2.365 10 30 AEEERO Cc1ncn([C@@H]2CCC[C@H]2C#N)c1C 51926967 572986662 /nfs/dbraw/zinc/98/66/62/572986662.db2.gz FSZQWKGMLNTYFQ-WDEREUQCSA-N 1 0 189.262 2.365 10 30 AEEERO C=CC[N@@H+](C)C/C=C/c1ccco1 308220809 572992627 /nfs/dbraw/zinc/99/26/27/572992627.db2.gz CGXXEINIBCWFHU-GQCTYLIASA-N 1 0 177.247 2.411 10 30 AEEERO Cc1cc(C(C)(C)[NH3+])cc(C#N)c1C 258207372 572992734 /nfs/dbraw/zinc/99/27/34/572992734.db2.gz YXVYXCHIXGFDBD-UHFFFAOYSA-N 1 0 188.274 2.369 10 30 AEEERO C=CC[N@@H+](C)C/C=C\c1ccco1 308220812 572992944 /nfs/dbraw/zinc/99/29/44/572992944.db2.gz CGXXEINIBCWFHU-XQRVVYSFSA-N 1 0 177.247 2.411 10 30 AEEERO Cc1cc(C#N)cc(C[C@@H](C)[NH3+])c1C 258205253 572993459 /nfs/dbraw/zinc/99/34/59/572993459.db2.gz YVECKAGTFIKQDS-SECBINFHSA-N 1 0 188.274 2.065 10 30 AEEERO Cc1cc(C#N)cc(C[C@H](C)[NH3+])c1C 258205255 572993638 /nfs/dbraw/zinc/99/36/38/572993638.db2.gz YVECKAGTFIKQDS-VIFPVBQESA-N 1 0 188.274 2.065 10 30 AEEERO C=C(CC)C[NH2+][C@H](C)C[C@H]1CCCO1 689831409 572993900 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C#CC[C@H](CC)[NH2+]C[C@@]1(C)C[C@H]1C 714621739 573033702 /nfs/dbraw/zinc/03/37/02/573033702.db2.gz KTSCSPYCIZRVNE-GRYCIOLGSA-N 1 0 179.307 2.424 10 30 AEEERO C[N@@H+]1CCC[C@@H]([C@]2(C#N)CC2(C)C)C1 259034309 573033752 /nfs/dbraw/zinc/03/37/52/573033752.db2.gz RVUHRMUIRDTHII-ZYHUDNBSSA-N 1 0 192.306 2.268 10 30 AEEERO CC[C@@](C)([NH3+])c1ccc(C#N)c(F)c1 306530787 573034061 /nfs/dbraw/zinc/03/40/61/573034061.db2.gz HMFWFPONHKEYNS-LLVKDONJSA-N 1 0 192.237 2.281 10 30 AEEERO C[C@H](C[NH3+])C(=O)C1=CCCCCCC1 235441097 573034134 /nfs/dbraw/zinc/03/41/34/573034134.db2.gz ACRXSRDUFAKMEF-SNVBAGLBSA-N 1 0 195.306 2.431 10 30 AEEERO C[C@H](C[NH3+])C(=O)C1=CCCCCC1 235441081 573034211 /nfs/dbraw/zinc/03/42/11/573034211.db2.gz UKKPTSAXDUPJFQ-SECBINFHSA-N 1 0 181.279 2.041 10 30 AEEERO CC#CC[C@@H]1CCC[C@@H]1C[NH2+]C 87958130 573034472 /nfs/dbraw/zinc/03/44/72/573034472.db2.gz KYBYVWCLVCJUCH-GHMZBOCLSA-N 1 0 165.280 2.036 10 30 AEEERO CC(C)[C@@H](C#N)C[C@@H]1CC[N@H+](C)C1 259317022 573034595 /nfs/dbraw/zinc/03/45/95/573034595.db2.gz KRHZYLXJAXFDMN-WDEREUQCSA-N 1 0 180.295 2.124 10 30 AEEERO CCCC[N@H+](C[C@H]1CO1)[C@@H](C)CC 42607349 573034724 /nfs/dbraw/zinc/03/47/24/573034724.db2.gz IFAXWCJBXVZVGJ-QWRGUYRKSA-N 1 0 185.311 2.286 10 30 AEEERO C#CC[C@H](CC)[NH2+]C[C@]1(C)C[C@H]1C 714621752 573034865 /nfs/dbraw/zinc/03/48/65/573034865.db2.gz KTSCSPYCIZRVNE-WOPDTQHZSA-N 1 0 179.307 2.424 10 30 AEEERO C#CC[C@H](CC)[NH2+]C[C@]1(C)C[C@@H]1C 714621747 573035531 /nfs/dbraw/zinc/03/55/31/573035531.db2.gz KTSCSPYCIZRVNE-SRVKXCTJSA-N 1 0 179.307 2.424 10 30 AEEERO C#CC[C@H](CC)[NH2+]C[C@@]1(C)C[C@@H]1C 714621744 573035635 /nfs/dbraw/zinc/03/56/35/573035635.db2.gz KTSCSPYCIZRVNE-SDDRHHMPSA-N 1 0 179.307 2.424 10 30 AEEERO CCCC[N@H+](C[C@@H]1CO1)[C@@H](C)CC 42607348 573035638 /nfs/dbraw/zinc/03/56/38/573035638.db2.gz IFAXWCJBXVZVGJ-WDEREUQCSA-N 1 0 185.311 2.286 10 30 AEEERO C=CCCC[C@@H]([NH3+])C[C@@H](C)OC 128454130 573035659 /nfs/dbraw/zinc/03/56/59/573035659.db2.gz KDQRIBFDSIWUCZ-NXEZZACHSA-N 1 0 171.284 2.095 10 30 AEEERO C=CC[C@@H]([NH3+])CCC[C@H]1CCCO1 128427340 573035678 /nfs/dbraw/zinc/03/56/78/573035678.db2.gz MWADSZQKKOONAQ-MNOVXSKESA-N 1 0 183.295 2.239 10 30 AEEERO C=CC[NH2+][C@@H]1CCCCC[C@H]1OC 308486529 573036335 /nfs/dbraw/zinc/03/63/35/573036335.db2.gz PIOQUELLIIEFQL-GHMZBOCLSA-N 1 0 183.295 2.110 10 30 AEEERO CC(C)[C@H](C#N)C[C@H]1CC[N@H+](C)C1 259317011 573036579 /nfs/dbraw/zinc/03/65/79/573036579.db2.gz KRHZYLXJAXFDMN-MNOVXSKESA-N 1 0 180.295 2.124 10 30 AEEERO C=CC[NH2+][C@H]1CCCCC[C@H]1OC 308486539 573037009 /nfs/dbraw/zinc/03/70/09/573037009.db2.gz PIOQUELLIIEFQL-WDEREUQCSA-N 1 0 183.295 2.110 10 30 AEEERO CC(C)[C@@H](C#N)C[C@H]1CC[N@H+](C)C1 259317007 573037309 /nfs/dbraw/zinc/03/73/09/573037309.db2.gz KRHZYLXJAXFDMN-GHMZBOCLSA-N 1 0 180.295 2.124 10 30 AEEERO CC(C)[C@H](C#N)C[C@@H]1CC[N@H+](C)C1 259317016 573037569 /nfs/dbraw/zinc/03/75/69/573037569.db2.gz KRHZYLXJAXFDMN-QWRGUYRKSA-N 1 0 180.295 2.124 10 30 AEEERO C=CC[NH2+][C@@H]1CCCCC[C@@H]1OC 308486533 573037916 /nfs/dbraw/zinc/03/79/16/573037916.db2.gz PIOQUELLIIEFQL-MNOVXSKESA-N 1 0 183.295 2.110 10 30 AEEERO C=CC[C@@H]([NH3+])Cc1ccncc1Cl 128444871 573038695 /nfs/dbraw/zinc/03/86/95/573038695.db2.gz SRJUFXNQDNATEM-SECBINFHSA-N 1 0 196.681 2.181 10 30 AEEERO C=CC[C@H]([NH3+])C(CC)CC 104588165 573038726 /nfs/dbraw/zinc/03/87/26/573038726.db2.gz FZYPGXLKPQJTPN-VIFPVBQESA-N 1 0 141.258 2.326 10 30 AEEERO C=C(C)C[NH2+]CCN1CCCCCC1 308486521 573039170 /nfs/dbraw/zinc/03/91/70/573039170.db2.gz ADOJBSDAEZUTRA-UHFFFAOYSA-N 1 0 196.338 2.028 10 30 AEEERO CC[PH+](CC)[C@H](C)CC=O 238262386 573039724 /nfs/dbraw/zinc/03/97/24/573039724.db2.gz TWBROMPGUVBNAQ-MRVPVSSYSA-N 1 0 160.197 2.486 10 30 AEEERO C=CCCC[C@H]([NH3+])C[C@H](C)OC 128454372 573039727 /nfs/dbraw/zinc/03/97/27/573039727.db2.gz KDQRIBFDSIWUCZ-UWVGGRQHSA-N 1 0 171.284 2.095 10 30 AEEERO C=C[C@H]([NH3+])c1cc(N)ccc1CC 238280413 573040111 /nfs/dbraw/zinc/04/01/11/573040111.db2.gz CLHKGZMQMSBFIX-NSHDSACASA-N 1 0 176.263 2.017 10 30 AEEERO CC[C@](C)([NH3+])c1ccc(C#N)c(F)c1 306530789 573040457 /nfs/dbraw/zinc/04/04/57/573040457.db2.gz HMFWFPONHKEYNS-NSHDSACASA-N 1 0 192.237 2.281 10 30 AEEERO CCC(CC)C[N@@H+]1CCC[C@@H](C=O)C1 128467007 573042788 /nfs/dbraw/zinc/04/27/88/573042788.db2.gz DQACQIFOLXYBEK-GFCCVEGCSA-N 1 0 197.322 2.334 10 30 AEEERO C=CCC[C@H](C)[N@H+](CC)C[C@@H](C)O 308234227 573044619 /nfs/dbraw/zinc/04/46/19/573044619.db2.gz QDRNILCXPKHONV-WDEREUQCSA-N 1 0 185.311 2.044 10 30 AEEERO CCC(CC)C[N@@H+]1CCCC[C@H]1C=O 128468029 573044707 /nfs/dbraw/zinc/04/47/07/573044707.db2.gz HOSIUEMSZOZEKT-LBPRGKRZSA-N 1 0 197.322 2.476 10 30 AEEERO C=CCC[C@@H](C)[N@H+](CC)C[C@@H](C)O 308234224 573043690 /nfs/dbraw/zinc/04/36/90/573043690.db2.gz QDRNILCXPKHONV-GHMZBOCLSA-N 1 0 185.311 2.044 10 30 AEEERO C=CCC[C@H](C)[N@H+](CC)C[C@H](C)O 308234226 573044474 /nfs/dbraw/zinc/04/44/74/573044474.db2.gz QDRNILCXPKHONV-QWRGUYRKSA-N 1 0 185.311 2.044 10 30 AEEERO C[C@H](S)c1ccccc1C[NH3+] 259598992 573044909 /nfs/dbraw/zinc/04/49/09/573044909.db2.gz CZTSHRPRCQWMMM-ZETCQYMHSA-N 1 0 167.277 2.136 10 30 AEEERO C=C1COc2ccccc2[C@H]1[NH2+]CC 238258882 573045145 /nfs/dbraw/zinc/04/51/45/573045145.db2.gz UJQBQDKGUKDDRG-LBPRGKRZSA-N 1 0 189.258 2.286 10 30 AEEERO CCC(CC)C[N@@H+]1CCCC[C@@H]1C=O 128467756 573045151 /nfs/dbraw/zinc/04/51/51/573045151.db2.gz HOSIUEMSZOZEKT-GFCCVEGCSA-N 1 0 197.322 2.476 10 30 AEEERO C[C@@H](S)c1ccccc1C[NH3+] 259598977 573045662 /nfs/dbraw/zinc/04/56/62/573045662.db2.gz CZTSHRPRCQWMMM-SSDOTTSWSA-N 1 0 167.277 2.136 10 30 AEEERO C=CCC[NH2+][C@@H]1C[C@H]1CCC 233305999 573046079 /nfs/dbraw/zinc/04/60/79/573046079.db2.gz QSJBKKPEXBRKOW-NXEZZACHSA-N 1 0 153.269 2.341 10 30 AEEERO CCC(CC)C[N@@H+]1CCC[C@H](C=O)C1 128466753 573046196 /nfs/dbraw/zinc/04/61/96/573046196.db2.gz DQACQIFOLXYBEK-LBPRGKRZSA-N 1 0 197.322 2.334 10 30 AEEERO CCC[C@@H]1C[C@H]1[NH2+]CCCC#N 233306002 573047018 /nfs/dbraw/zinc/04/70/18/573047018.db2.gz ONIVVXVIPYOLKT-NXEZZACHSA-N 1 0 166.268 2.068 10 30 AEEERO C=CC[C@@H]([NH2+]CC)c1nccn1CC 128578416 573046360 /nfs/dbraw/zinc/04/63/60/573046360.db2.gz NSKGATSOTPUOEM-SNVBAGLBSA-N 1 0 193.294 2.130 10 30 AEEERO CC[C@H]1CCCC[N@@H+]1CCC[C@H]1CO1 308486799 573047343 /nfs/dbraw/zinc/04/73/43/573047343.db2.gz NUFHNIYJJQPSAQ-RYUDHWBXSA-N 1 0 197.322 2.430 10 30 AEEERO C=C(C[N@H+]1CCCC[C@H]1CC)OC 308486900 573047736 /nfs/dbraw/zinc/04/77/36/573047736.db2.gz PMCYSEBKSQMBMB-LLVKDONJSA-N 1 0 183.295 2.411 10 30 AEEERO C=CCC[C@@H](C)[N@H+](CC)C[C@H](C)O 308234225 573048199 /nfs/dbraw/zinc/04/81/99/573048199.db2.gz QDRNILCXPKHONV-MNOVXSKESA-N 1 0 185.311 2.044 10 30 AEEERO C#C[C@](C)([NH2+]CC)C(C)(C)C 238257717 573048202 /nfs/dbraw/zinc/04/82/02/573048202.db2.gz LBSWOCFDAPHLDZ-JTQLQIEISA-N 1 0 153.269 2.034 10 30 AEEERO CCC(CC)C[NH+]1CCC(C=O)CC1 128468737 573047860 /nfs/dbraw/zinc/04/78/60/573047860.db2.gz RFVXEJPFHKNPTB-UHFFFAOYSA-N 1 0 197.322 2.334 10 30 AEEERO C=C(CC[NH3+])CCCC 104591562 573048043 /nfs/dbraw/zinc/04/80/43/573048043.db2.gz FWZBOYGNDADXMT-UHFFFAOYSA-N 1 0 127.231 2.082 10 30 AEEERO C[N@H+](CCC[C@H]1CO1)C1CCCCC1 308486848 573048583 /nfs/dbraw/zinc/04/85/83/573048583.db2.gz NVKVSYQRJALYLI-LBPRGKRZSA-N 1 0 197.322 2.430 10 30 AEEERO CC[C@@H]1CCCC[N@@H+]1CCC[C@@H]1CO1 308486800 573048731 /nfs/dbraw/zinc/04/87/31/573048731.db2.gz NUFHNIYJJQPSAQ-VXGBXAGGSA-N 1 0 197.322 2.430 10 30 AEEERO C[C@H](CC#N)[NH2+]CC[C@@H]1CC[C@H]2C[C@@H]12 717089813 573049295 /nfs/dbraw/zinc/04/92/95/573049295.db2.gz OSOZFSDHWKRLEF-RHYQMDGZSA-N 1 0 192.306 2.314 10 30 AEEERO C#CCCC[NH2+][C@@H]1C[C@H]1CCC 233306000 573049306 /nfs/dbraw/zinc/04/93/06/573049306.db2.gz NEMXXKLBKUQXOS-GHMZBOCLSA-N 1 0 165.280 2.178 10 30 AEEERO C#C[C@](C)(CC(C)C)[NH2+]CC 238258038 573049608 /nfs/dbraw/zinc/04/96/08/573049608.db2.gz CKPDIHCPZRAPHE-SNVBAGLBSA-N 1 0 153.269 2.034 10 30 AEEERO C=CCCCO[C@@H]1CC[NH2+]CC1(C)C 393655987 573050958 /nfs/dbraw/zinc/05/09/58/573050958.db2.gz HMZUKMGHNDDWCG-LLVKDONJSA-N 1 0 197.322 2.357 10 30 AEEERO CC[PH+](CC)C[C@H](C)C=O 238262188 573052488 /nfs/dbraw/zinc/05/24/88/573052488.db2.gz SXRRCDBWHRJNII-MRVPVSSYSA-N 1 0 160.197 2.343 10 30 AEEERO CC[C@@H]1CC[N@H+](CCCC#N)[C@@H]1C 308249113 573053907 /nfs/dbraw/zinc/05/39/07/573053907.db2.gz APVXGPARILEPOV-GHMZBOCLSA-N 1 0 180.295 2.411 10 30 AEEERO C#CCC[C@H]([NH2+]CC)c1coc(C)n1 308487360 573054755 /nfs/dbraw/zinc/05/47/55/573054755.db2.gz PJLQTYMULNHWAE-JTQLQIEISA-N 1 0 192.262 2.047 10 30 AEEERO C[C@H](CC#N)[NH2+]CC[C@@H]1CC[C@@H]2C[C@H]12 717089817 573054833 /nfs/dbraw/zinc/05/48/33/573054833.db2.gz OSOZFSDHWKRLEF-WRWGMCAJSA-N 1 0 192.306 2.314 10 30 AEEERO C=CCCCC[NH2+][C@H](C)C(C)(C)O 308241455 573055091 /nfs/dbraw/zinc/05/50/91/573055091.db2.gz YQPPEIJOUAIILB-SNVBAGLBSA-N 1 0 185.311 2.092 10 30 AEEERO C=CCCCC[NH2+][C@@H](C)C(C)(C)O 308241451 573056448 /nfs/dbraw/zinc/05/64/48/573056448.db2.gz YQPPEIJOUAIILB-JTQLQIEISA-N 1 0 185.311 2.092 10 30 AEEERO C=C(Cl)C[NH2+][C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C 716546549 573056872 /nfs/dbraw/zinc/05/68/72/573056872.db2.gz PWIHLZPMPBIGSH-JZKKDOLYSA-N 1 0 185.698 2.373 10 30 AEEERO C=C(Cl)C[NH2+][C@@H]1C[C@@H]1[C@H]1C[C@@H]1C 716546543 573057275 /nfs/dbraw/zinc/05/72/75/573057275.db2.gz PWIHLZPMPBIGSH-BEYHFKMWSA-N 1 0 185.698 2.373 10 30 AEEERO [NH3+]Cc1ccc2c(CS)coc2c1 257938891 573057661 /nfs/dbraw/zinc/05/76/61/573057661.db2.gz FUKJLBRZDWLJOL-UHFFFAOYSA-N 1 0 193.271 2.321 10 30 AEEERO C=CCCCC[NH2+][C@H]1CCC[C@]1(C)O 308487611 573058917 /nfs/dbraw/zinc/05/89/17/573058917.db2.gz PAFHGUQBPRSMNF-RYUDHWBXSA-N 1 0 197.322 2.236 10 30 AEEERO C=CCC(=O)[C@]1(CCC)CCC[NH2+]1 233318432 573058550 /nfs/dbraw/zinc/05/85/50/573058550.db2.gz VCURRQRBRMRHEP-NSHDSACASA-N 1 0 181.279 2.054 10 30 AEEERO C=CCOCC[NH2+][C@@H]1CC[C@H]1C(C)C 308492374 573058632 /nfs/dbraw/zinc/05/86/32/573058632.db2.gz CCHPUFCHHXKUQG-NWDGAFQWSA-N 1 0 197.322 2.213 10 30 AEEERO C[NH2+][C@@H](CS)c1ccccc1C 259320341 573058713 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PAFHGUQBPRSMNF-VXGBXAGGSA-N 1 0 197.322 2.236 10 30 AEEERO C=CCOCC[NH2+][C@H]1CC[C@@H]1C(C)C 308492372 573060355 /nfs/dbraw/zinc/06/03/55/573060355.db2.gz CCHPUFCHHXKUQG-NEPJUHHUSA-N 1 0 197.322 2.213 10 30 AEEERO C=CC[n+]1ccc(CCC)cc1 308244818 573060594 /nfs/dbraw/zinc/06/05/94/573060594.db2.gz UTFUGZSQIJOLQS-UHFFFAOYSA-N 1 0 162.256 2.113 10 30 AEEERO C#C[C@@](C)([NH2+]CC)C(C)(C)C 238274704 573060767 /nfs/dbraw/zinc/06/07/67/573060767.db2.gz LBSWOCFDAPHLDZ-SNVBAGLBSA-N 1 0 153.269 2.034 10 30 AEEERO C=CC[NH2+]Cc1cnc(CCC)s1 308244395 573060953 /nfs/dbraw/zinc/06/09/53/573060953.db2.gz UMUBRUDKHKQMCA-UHFFFAOYSA-N 1 0 196.319 2.371 10 30 AEEERO CC(C)[C@H]1CC[N@H+](CCCS)C1 128543152 573061255 /nfs/dbraw/zinc/06/12/55/573061255.db2.gz SXISXVPDKYYLOE-JTQLQIEISA-N 1 0 187.352 2.284 10 30 AEEERO CC[C@H]1CC[N@H+](CCCCS)C1 128543636 573062765 /nfs/dbraw/zinc/06/27/65/573062765.db2.gz PXIGWBWJCLKOHC-JTQLQIEISA-N 1 0 187.352 2.428 10 30 AEEERO CC[C@@H]1CC[C@@H](C=O)[N@@H+]2CCCC[C@@H]12 238264252 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153.269 2.483 10 30 AEEERO C#CC[C@@H](C)[NH2+]CCCCC#CC 308251633 573078229 /nfs/dbraw/zinc/07/82/29/573078229.db2.gz FXIFFISXVSPXGE-GFCCVEGCSA-N 1 0 177.291 2.181 10 30 AEEERO C=C[C@H](C)C[NH2+]CCCC 104617766 573078271 /nfs/dbraw/zinc/07/82/71/573078271.db2.gz FXHOMMOBGDHERG-VIFPVBQESA-N 1 0 141.258 2.198 10 30 AEEERO C#CC[NH2+][C@H](c1ccccn1)C(C)C 308490813 573078298 /nfs/dbraw/zinc/07/82/98/573078298.db2.gz BNXOXZIAAZXRNN-LBPRGKRZSA-N 1 0 188.274 2.002 10 30 AEEERO C[NH+](C)[C@H]1CCCC[C@H]1CCC#N 259600354 573078338 /nfs/dbraw/zinc/07/83/38/573078338.db2.gz FFWINFJCMBIIQJ-QWRGUYRKSA-N 1 0 180.295 2.411 10 30 AEEERO C=C(C)C[NH2+]C1(CCO)CCCCC1 308490807 573078395 /nfs/dbraw/zinc/07/83/95/573078395.db2.gz BNNPMWGSCMFWRL-UHFFFAOYSA-N 1 0 197.322 2.237 10 30 AEEERO C[NH+](C)[C@@H]1CCCC[C@@H]1CCC#N 259600337 573078627 /nfs/dbraw/zinc/07/86/27/573078627.db2.gz FFWINFJCMBIIQJ-GHMZBOCLSA-N 1 0 180.295 2.411 10 30 AEEERO CC#CCCCC[NH2+]CCCOCC 308490780 573078706 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173.325 2.037 10 30 AEEERO C[C@@H]1CC[C@@H](C)[N@H+](CCS)C1 87076755 573766322 /nfs/dbraw/zinc/76/63/22/573766322.db2.gz URAIGTXMKXDVMZ-RKDXNWHRSA-N 1 0 173.325 2.037 10 30 AEEERO C=C(Cl)C[NH2+]CCCOCCC 130999502 573766347 /nfs/dbraw/zinc/76/63/47/573766347.db2.gz OAOPTSQVHDYWBD-UHFFFAOYSA-N 1 0 191.702 2.145 10 30 AEEERO C[C@H](CS)C[N@@H+]1CCCC1(C)C 87060419 573766423 /nfs/dbraw/zinc/76/64/23/573766423.db2.gz PRKUWDHUIVRSRC-VIFPVBQESA-N 1 0 187.352 2.427 10 30 AEEERO CC(C)[C@@H]1CCC[N@@H+]1CCS 87076664 573766470 /nfs/dbraw/zinc/76/64/70/573766470.db2.gz BROVYMZEJNLCBT-VIFPVBQESA-N 1 0 173.325 2.037 10 30 AEEERO C=CC[C@@]12CCC[C@@H]1CCC[NH2+]2 238092273 573766482 /nfs/dbraw/zinc/76/64/82/573766482.db2.gz HYYRZRJECWMTGX-GHMZBOCLSA-N 1 0 165.280 2.485 10 30 AEEERO CCCOCCC[NH2+][C@H](CC)CC#N 130998660 573766488 /nfs/dbraw/zinc/76/64/88/573766488.db2.gz MMMMDRYFLIRZQB-LLVKDONJSA-N 1 0 198.310 2.085 10 30 AEEERO C=CC[C@H]([NH2+]C)c1ncccc1F 130985919 573766520 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/nfs/dbraw/zinc/77/00/97/573770097.db2.gz PAYNDZJUKFQPEX-JTQLQIEISA-N 1 0 190.290 2.329 10 30 AEEERO C=C[C@H]([NH3+])c1cc(C)c2c(c1)CCO2 238508677 573771212 /nfs/dbraw/zinc/77/12/12/573771212.db2.gz UWNZCBUYGGPKQY-NSHDSACASA-N 1 0 189.258 2.116 10 30 AEEERO C=C[C@H](C)[NH2+]C/C=C/c1ccco1 127088744 573771836 /nfs/dbraw/zinc/77/18/36/573771836.db2.gz STJUVIVXRGGTPU-RWCYGVJQSA-N 1 0 177.247 2.457 10 30 AEEERO CCCCNc1cc[nH+]c(CC#N)c1 308716492 573772087 /nfs/dbraw/zinc/77/20/87/573772087.db2.gz BNTWJUYCJHPAMK-UHFFFAOYSA-N 1 0 189.262 2.360 10 30 AEEERO CCC[N@@H+]1CC[C@H](CC#N)C1(C)C 259567218 573776012 /nfs/dbraw/zinc/77/60/12/573776012.db2.gz YJCAYXADTRBVCB-JTQLQIEISA-N 1 0 180.295 2.411 10 30 AEEERO CC(C)[C@@H]1CCC[N@@H+]1C[C@@H](C)C#N 84126004 573777087 /nfs/dbraw/zinc/77/70/87/573777087.db2.gz HTHWPSKDJPWKBN-QWRGUYRKSA-N 1 0 180.295 2.266 10 30 AEEERO Cc1[nH]c2cc(C#N)ccc2c1[C@@H](C)[NH3+] 257876916 573777396 /nfs/dbraw/zinc/77/73/96/573777396.db2.gz RISRVDQWDCOYDN-SSDOTTSWSA-N 1 0 199.257 2.368 10 30 AEEERO C=CC[C@H]([NH3+])c1cc(N)ccc1C 238513620 573777366 /nfs/dbraw/zinc/77/73/66/573777366.db2.gz CGUVSLNSNCKYTL-NSHDSACASA-N 1 0 176.263 2.153 10 30 AEEERO SCC[NH2+]CCC1CCCC1 258940457 573777571 /nfs/dbraw/zinc/77/75/71/573777571.db2.gz SXMLOIYMSMDTNI-UHFFFAOYSA-N 1 0 173.325 2.086 10 30 AEEERO CC(C)C[N@@H+]1CCC[C@H](C#N)[C@H]1C 259619939 573777621 /nfs/dbraw/zinc/77/76/21/573777621.db2.gz GSBKWWIZMPPXPB-GHMZBOCLSA-N 1 0 180.295 2.266 10 30 AEEERO C=C[C@@H]1CCCC[NH2+]CCC1 238107670 573777660 /nfs/dbraw/zinc/77/76/60/573777660.db2.gz KNIWUDJBSNCXCF-SNVBAGLBSA-N 1 0 153.269 2.342 10 30 AEEERO CC(C)[C@H]1CCCN1[C@@H](C)C#N 84125992 573778068 /nfs/dbraw/zinc/77/80/68/573778068.db2.gz DGJNREZWMLCUEH-VHSXEESVSA-N 1 0 166.268 2.019 10 30 AEEERO C=C[C@](C)(C[NH3+])CCC1CCOCC1 308736371 573779547 /nfs/dbraw/zinc/77/95/47/573779547.db2.gz LPJYRHXPFAMPCT-LBPRGKRZSA-N 1 0 197.322 2.344 10 30 AEEERO C[Si](C)(C)C#CCC1CC[NH2+]CC1 238513617 573779603 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/nfs/dbraw/zinc/17/09/67/490170967.db2.gz CCMVPIKMNLKXNQ-NEPJUHHUSA-N 1 0 197.322 2.452 10 30 AEEERO C=CCCC[N@@H+](C)C[C@H]1CC[C@@H](C)O1 682758262 490171145 /nfs/dbraw/zinc/17/11/45/490171145.db2.gz CCMVPIKMNLKXNQ-VXGBXAGGSA-N 1 0 197.322 2.452 10 30 AEEERO C=CCCC[N@@H+](C)C[C@H]1CC[C@H](C)O1 682758260 490172050 /nfs/dbraw/zinc/17/20/50/490172050.db2.gz CCMVPIKMNLKXNQ-NWDGAFQWSA-N 1 0 197.322 2.452 10 30 AEEERO C=CCCC[N@@H+](C)C[C@@H]1CC[C@H](C)O1 682758261 490172181 /nfs/dbraw/zinc/17/21/81/490172181.db2.gz CCMVPIKMNLKXNQ-RYUDHWBXSA-N 1 0 197.322 2.452 10 30 AEEERO C=CCCC[NH2+]CC(C)C 60714929 491021326 /nfs/dbraw/zinc/02/13/26/491021326.db2.gz KRSYHNPWAPINLQ-UHFFFAOYSA-N 1 0 141.258 2.198 10 30 AEEERO C=CCCC[NH2+]Cc1c(C)noc1C 86110674 491028310 /nfs/dbraw/zinc/02/83/10/491028310.db2.gz OJKBLQLIRLFMBP-UHFFFAOYSA-N 1 0 194.278 2.347 10 30 AEEERO C=C(CC)C[N@@H+]1CCC[C@H]1CCCO 85070502 491026871 /nfs/dbraw/zinc/02/68/71/491026871.db2.gz RTIVYBSPYKTKCS-LBPRGKRZSA-N 1 0 197.322 2.190 10 30 AEEERO C=C(CC)C[N@@H+]1CCC[C@@H]1CCCO 85070501 491026923 /nfs/dbraw/zinc/02/69/23/491026923.db2.gz RTIVYBSPYKTKCS-GFCCVEGCSA-N 1 0 197.322 2.190 10 30 AEEERO C=CC[C@@H](C)[C@@H](C)[NH2+]C1CC1 87145000 491029853 /nfs/dbraw/zinc/02/98/53/491029853.db2.gz HKBLSGOVCULARG-RKDXNWHRSA-N 1 0 153.269 2.339 10 30 AEEERO C=CC[C@H](C)[C@H](C)[NH2+]C1CC1 87145003 491029860 /nfs/dbraw/zinc/02/98/60/491029860.db2.gz HKBLSGOVCULARG-IUCAKERBSA-N 1 0 153.269 2.339 10 30 AEEERO C=CC[C@@H](C)[C@H](C)[NH2+]C1CC1 87145004 491029890 /nfs/dbraw/zinc/02/98/90/491029890.db2.gz HKBLSGOVCULARG-BDAKNGLRSA-N 1 0 153.269 2.339 10 30 AEEERO C=CC[C@H](C)[C@@H](C)[NH2+]C1CC1 87144998 491029901 /nfs/dbraw/zinc/02/99/01/491029901.db2.gz HKBLSGOVCULARG-DTWKUNHWSA-N 1 0 153.269 2.339 10 30 AEEERO C=C[C@H](C)[NH2+]Cc1ccccc1F 130459402 491033633 /nfs/dbraw/zinc/03/36/33/491033633.db2.gz GBTQFMRUXMYCOD-VIFPVBQESA-N 1 0 179.238 2.490 10 30 AEEERO C=C[C@@H](C)[NH2+]Cc1ccc(F)cc1 130430731 491033647 /nfs/dbraw/zinc/03/36/47/491033647.db2.gz AQVMICPELWNOGN-SECBINFHSA-N 1 0 179.238 2.490 10 30 AEEERO C=C[C@@H](C)[NH2+]Cc1cccc(F)c1 130432388 491033673 /nfs/dbraw/zinc/03/36/73/491033673.db2.gz CDMMTXCXLVFZTB-SECBINFHSA-N 1 0 179.238 2.490 10 30 AEEERO C=C[C@@H](C)[NH2+]Cc1ccccc1F 130459623 491033742 /nfs/dbraw/zinc/03/37/42/491033742.db2.gz GBTQFMRUXMYCOD-SECBINFHSA-N 1 0 179.238 2.490 10 30 AEEERO C=C[C@H](C)[NH2+]Cc1cccc(F)c1 130432206 491033749 /nfs/dbraw/zinc/03/37/49/491033749.db2.gz CDMMTXCXLVFZTB-VIFPVBQESA-N 1 0 179.238 2.490 10 30 AEEERO C=C[C@H](C)[NH2+]Cc1ccc(F)cc1 130430523 491033791 /nfs/dbraw/zinc/03/37/91/491033791.db2.gz AQVMICPELWNOGN-VIFPVBQESA-N 1 0 179.238 2.490 10 30 AEEERO C=CCCC[NH2+]Cc1cncs1 131475025 491034865 /nfs/dbraw/zinc/03/48/65/491034865.db2.gz ARYBHPYXIVBWOX-UHFFFAOYSA-N 1 0 182.292 2.199 10 30 AEEERO C=CCN(C[C@H]([NH3+])CC(C)C)C1CC1 131681322 491035145 /nfs/dbraw/zinc/03/51/45/491035145.db2.gz XCDDYNFPUCVQCP-LLVKDONJSA-N 1 0 196.338 2.010 10 30 AEEERO C=CCN(C[C@@H]([NH3+])CC(C)C)C1CC1 131681106 491035180 /nfs/dbraw/zinc/03/51/80/491035180.db2.gz XCDDYNFPUCVQCP-NSHDSACASA-N 1 0 196.338 2.010 10 30 AEEERO C=CCC[C@@H](C)[NH2+]CC1(CCO)CC1 133119257 491037209 /nfs/dbraw/zinc/03/72/09/491037209.db2.gz BRDGVAAUHDOGEE-LLVKDONJSA-N 1 0 197.322 2.093 10 30 AEEERO C=CCC[C@H](C)[NH2+]CC1(CCO)CC1 133119147 491037260 /nfs/dbraw/zinc/03/72/60/491037260.db2.gz BRDGVAAUHDOGEE-NSHDSACASA-N 1 0 197.322 2.093 10 30 AEEERO C=CCCCN(C)CC[NH2+]C(C)(C)C 220263296 491040599 /nfs/dbraw/zinc/04/05/99/491040599.db2.gz KSTWNVCLYIQOEC-UHFFFAOYSA-N 1 0 198.354 2.273 10 30 AEEERO C=CC[NH+](CC=C)[Si](C)(C)C 196007387 491040126 /nfs/dbraw/zinc/04/01/26/491040126.db2.gz YLOMLMUYRWHJHN-UHFFFAOYSA-N 1 0 169.344 2.495 10 30 AEEERO C=CC[NH2+][C@@H](COC)c1ccccc1 223718444 491041404 /nfs/dbraw/zinc/04/14/04/491041404.db2.gz ANHDAYXXNRNTBC-LBPRGKRZSA-N 1 0 191.274 2.150 10 30 AEEERO C=CC[NH2+][C@H](COC)c1ccccc1 223718493 491041425 /nfs/dbraw/zinc/04/14/25/491041425.db2.gz ANHDAYXXNRNTBC-GFCCVEGCSA-N 1 0 191.274 2.150 10 30 AEEERO C=CCC[C@H](C)[NH2+][C@H]1CCC[C@@H](O)C1 228609970 491044464 /nfs/dbraw/zinc/04/44/64/491044464.db2.gz PGNKCIIPYIJIKP-SDDRHHMPSA-N 1 0 197.322 2.234 10 30 AEEERO C=C(C)C[NH2+][C@H](C)c1cncc(F)c1 228578796 491044476 /nfs/dbraw/zinc/04/44/76/491044476.db2.gz ZQCJYYLSAQCQRC-SECBINFHSA-N 1 0 194.253 2.447 10 30 AEEERO C=CCCC[NH2+]C[C@@H]1CCSC1 228566095 491044507 /nfs/dbraw/zinc/04/45/07/491044507.db2.gz CSVPNZJQYBXCCC-JTQLQIEISA-N 1 0 185.336 2.295 10 30 AEEERO C=CC[NH2+][C@H](C)c1cncc(F)c1 228578397 491044511 /nfs/dbraw/zinc/04/45/11/491044511.db2.gz SMISNXVUYFVABL-MRVPVSSYSA-N 1 0 180.226 2.057 10 30 AEEERO C=CCCC[NH2+]C[C@H]1CCSC1 228566099 491044534 /nfs/dbraw/zinc/04/45/34/491044534.db2.gz CSVPNZJQYBXCCC-SNVBAGLBSA-N 1 0 185.336 2.295 10 30 AEEERO C=CCC[C@H](C)[NH2+][C@@H]1CCC[C@@H](O)C1 228609960 491044557 /nfs/dbraw/zinc/04/45/57/491044557.db2.gz PGNKCIIPYIJIKP-QJPTWQEYSA-N 1 0 197.322 2.234 10 30 AEEERO C=CCCC[NH2+][C@H]1CCO[C@@H](C)C1 228731039 491044743 /nfs/dbraw/zinc/04/47/43/491044743.db2.gz YIICDJDFNDFIAP-QWRGUYRKSA-N 1 0 183.295 2.110 10 30 AEEERO C=C(CC)C[NH2+]C(C)(C)C(C)(C)O 227345834 491043618 /nfs/dbraw/zinc/04/36/18/491043618.db2.gz OVPLWOHHEXDFTE-UHFFFAOYSA-N 1 0 185.311 2.092 10 30 AEEERO C=CCCC[NH2+]CC1(C)CC1 228730983 491044776 /nfs/dbraw/zinc/04/47/76/491044776.db2.gz QMMRVVJWXUDXQZ-UHFFFAOYSA-N 1 0 153.269 2.342 10 30 AEEERO C=CCCC[NH2+][C@@H]1CCO[C@@H](C)C1 228731031 491044812 /nfs/dbraw/zinc/04/48/12/491044812.db2.gz YIICDJDFNDFIAP-WDEREUQCSA-N 1 0 183.295 2.110 10 30 AEEERO C=CCCC[NH2+]C(C)(C)C(C)(C)O 227345223 491043638 /nfs/dbraw/zinc/04/36/38/491043638.db2.gz FBMOLQGDZGCVML-UHFFFAOYSA-N 1 0 185.311 2.092 10 30 AEEERO C=CCCC[NH2+][C@@H]1CCO[C@H](C)C1 228731049 491044859 /nfs/dbraw/zinc/04/48/59/491044859.db2.gz YIICDJDFNDFIAP-GHMZBOCLSA-N 1 0 183.295 2.110 10 30 AEEERO C=CCCC[NH2+]C1CC(OCC)C1 228733407 491044907 /nfs/dbraw/zinc/04/49/07/491044907.db2.gz CUKOGMBTYGPYTM-UHFFFAOYSA-N 1 0 183.295 2.110 10 30 AEEERO C=CCCC[NH2+][C@H]1CCO[C@H](C)C1 228731057 491044926 /nfs/dbraw/zinc/04/49/26/491044926.db2.gz YIICDJDFNDFIAP-MNOVXSKESA-N 1 0 183.295 2.110 10 30 AEEERO C=CC[C@H](C)[NH2+][C@@H]1CCC[C@@H](OC)C1 228912226 491044938 /nfs/dbraw/zinc/04/49/38/491044938.db2.gz CVPFIGNAMCPETP-QJPTWQEYSA-N 1 0 197.322 2.498 10 30 AEEERO C=CC[C@H](C)[NH2+][C@H]1CCC[C@@H](OC)C1 228912212 491044943 /nfs/dbraw/zinc/04/49/43/491044943.db2.gz CVPFIGNAMCPETP-SDDRHHMPSA-N 1 0 197.322 2.498 10 30 AEEERO C=C[C@H](C)[NH2+][C@@H]1CCC[C@H](OC)C1 229199833 491044961 /nfs/dbraw/zinc/04/49/61/491044961.db2.gz DMDOIJXQFSNAPV-AXFHLTTASA-N 1 0 183.295 2.108 10 30 AEEERO C=C[C@H](C)[NH2+][C@@H]1CCC[C@@H](OC)C1 229199818 491044986 /nfs/dbraw/zinc/04/49/86/491044986.db2.gz DMDOIJXQFSNAPV-HBNTYKKESA-N 1 0 183.295 2.108 10 30 AEEERO C=C[C@H](C)[NH2+][C@H]1CCC[C@H](OC)C1 229199810 491045005 /nfs/dbraw/zinc/04/50/05/491045005.db2.gz DMDOIJXQFSNAPV-DCAQKATOSA-N 1 0 183.295 2.108 10 30 AEEERO C=C[C@H](C)[NH2+][C@H]1CCC[C@@H](OC)C1 229199797 491045054 /nfs/dbraw/zinc/04/50/54/491045054.db2.gz DMDOIJXQFSNAPV-GARJFASQSA-N 1 0 183.295 2.108 10 30 AEEERO C=C[C@@H](C)[NH2+]Cc1cnccc1C 229325282 491045067 /nfs/dbraw/zinc/04/50/67/491045067.db2.gz WAOGRSVGNOLSOH-SNVBAGLBSA-N 1 0 176.263 2.054 10 30 AEEERO C=C[C@H](C)[NH2+]Cc1cnccc1C 229325295 491045085 /nfs/dbraw/zinc/04/50/85/491045085.db2.gz WAOGRSVGNOLSOH-JTQLQIEISA-N 1 0 176.263 2.054 10 30 AEEERO C=C(C)CC[NH2+]C(C)(C)C(C)(C)O 229590545 491045492 /nfs/dbraw/zinc/04/54/92/491045492.db2.gz SRXTXQKGHKADFR-UHFFFAOYSA-N 1 0 185.311 2.092 10 30 AEEERO C=CC[NH2+][C@H]1CCC[C@@H]1CC 229616391 491045541 /nfs/dbraw/zinc/04/55/41/491045541.db2.gz IDHLIZLTRUQNEY-UWVGGRQHSA-N 1 0 153.269 2.341 10 30 AEEERO C=CC[NH2+][C@@H]1CCC[C@H]1CC 229616398 491045543 /nfs/dbraw/zinc/04/55/43/491045543.db2.gz IDHLIZLTRUQNEY-NXEZZACHSA-N 1 0 153.269 2.341 10 30 AEEERO C=C(C)CC[NH+]1CCC([C@H](C)O)CC1 229589231 491045554 /nfs/dbraw/zinc/04/55/54/491045554.db2.gz KXVAZNWHHZESCE-NSHDSACASA-N 1 0 197.322 2.045 10 30 AEEERO C=CC[NH2+][C@H]1CCC[C@H]1CC 229616382 491045575 /nfs/dbraw/zinc/04/55/75/491045575.db2.gz IDHLIZLTRUQNEY-ZJUUUORDSA-N 1 0 153.269 2.341 10 30 AEEERO C=CC[NH2+][C@@H]1CCC[C@@H]1CC 229616407 491045576 /nfs/dbraw/zinc/04/55/76/491045576.db2.gz IDHLIZLTRUQNEY-VHSXEESVSA-N 1 0 153.269 2.341 10 30 AEEERO C=C(C)CC[NH+]1CCC([C@@H](C)O)CC1 229589225 491045606 /nfs/dbraw/zinc/04/56/06/491045606.db2.gz KXVAZNWHHZESCE-LLVKDONJSA-N 1 0 197.322 2.045 10 30 AEEERO CC#CCC[N@@H+]1CC[C@@H](C)[C@@H](F)C1 306259905 491047300 /nfs/dbraw/zinc/04/73/00/491047300.db2.gz JOVCVOWZNILQSZ-MNOVXSKESA-N 1 0 183.270 2.080 10 30 AEEERO CC#CCC[N@@H+]1CC[C@@H](C)[C@H](F)C1 306259903 491047343 /nfs/dbraw/zinc/04/73/43/491047343.db2.gz JOVCVOWZNILQSZ-GHMZBOCLSA-N 1 0 183.270 2.080 10 30 AEEERO CC#CCC[N@@H+]1CC[C@H](C)[C@H](F)C1 306259908 491047371 /nfs/dbraw/zinc/04/73/71/491047371.db2.gz JOVCVOWZNILQSZ-WDEREUQCSA-N 1 0 183.270 2.080 10 30 AEEERO CC#CCC[N@@H+]1CC[C@H](C)[C@@H](F)C1 306259907 491047380 /nfs/dbraw/zinc/04/73/80/491047380.db2.gz JOVCVOWZNILQSZ-QWRGUYRKSA-N 1 0 183.270 2.080 10 30 AEEERO C=C(C)C[N@@H+](C)[C@H](C)C#CCC 306331414 491048642 /nfs/dbraw/zinc/04/86/42/491048642.db2.gz DBLODVVORIMCRO-LLVKDONJSA-N 1 0 165.280 2.296 10 30 AEEERO C=C(C)C[N@@H+](C)[C@@H](C)C#CCC 306331415 491048694 /nfs/dbraw/zinc/04/86/94/491048694.db2.gz DBLODVVORIMCRO-NSHDSACASA-N 1 0 165.280 2.296 10 30 AEEERO C=CC[NH+]1CCC2(CC1)CC2 306330164 491048730 /nfs/dbraw/zinc/04/87/30/491048730.db2.gz CFGJDDZAYLYLOE-UHFFFAOYSA-N 1 0 151.253 2.048 10 30 AEEERO C=C(CC)C[N@@H+]1CCS[C@@H](C)C1 306361761 491049243 /nfs/dbraw/zinc/04/92/43/491049243.db2.gz QDJLLTGRSBLWNS-JTQLQIEISA-N 1 0 185.336 2.390 10 30 AEEERO CC#CCC[N@H+]1CC(C)=C[C@H](C)C1 306417769 491050413 /nfs/dbraw/zinc/05/04/13/491050413.db2.gz SNXXYHHHHCLUSQ-NSHDSACASA-N 1 0 177.291 2.298 10 30 AEEERO CC#CCC[N@H+]1CC(C)=C[C@@H](C)C1 306417768 491050423 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LWIZVSSQIJGNSP-LBPRGKRZSA-N 1 0 198.354 2.258 10 30 AEEERO C=C(C)C[N@H+]1CC[C@@H](OC)C[C@H]1C 334143003 166119913 /nfs/dbraw/zinc/11/99/13/166119913.db2.gz BRLJALPBWQOPIG-GHMZBOCLSA-N 1 0 183.295 2.062 10 30 AEEERO C=C(C)CN(CC)[C@@H](C)C[NH2+]C1CC1 52423212 166120115 /nfs/dbraw/zinc/12/01/15/166120115.db2.gz UYORHUVBSQJVDO-NSHDSACASA-N 1 0 196.338 2.025 10 30 AEEERO C=C(C)C[NH2+]C1(C)CCCC1 51753440 166120173 /nfs/dbraw/zinc/12/01/73/166120173.db2.gz SGPWHUAFAFVVRQ-UHFFFAOYSA-N 1 0 153.269 2.485 10 30 AEEERO C=C(C)C[NH2+]C(CC)CC 49773189 166120300 /nfs/dbraw/zinc/12/03/00/166120300.db2.gz YERZAKZCQNEZLN-UHFFFAOYSA-N 1 0 141.258 2.341 10 30 AEEERO C=C(C)CN(CC)C[C@@H]([NH3+])[C@@H](C)CC 20074196 166120537 /nfs/dbraw/zinc/12/05/37/166120537.db2.gz RYXYPBIRJZIHFU-NWDGAFQWSA-N 1 0 198.354 2.258 10 30 AEEERO C=C(C)C[N@H+](C[C@H]1CCOC1)C1CC1 65587563 166120934 /nfs/dbraw/zinc/12/09/34/166120934.db2.gz GXCSPSFHPUXMSK-LLVKDONJSA-N 1 0 195.306 2.063 10 30 AEEERO C=C(C)C[NH2+]C(C)(C)CC 51753245 166120982 /nfs/dbraw/zinc/12/09/82/166120982.db2.gz UYHXNAJJOPDTEM-UHFFFAOYSA-N 1 0 141.258 2.341 10 30 AEEERO C=C(C)C[N@@H+](CCC#N)CC(C)C 49800790 166121022 /nfs/dbraw/zinc/12/10/22/166121022.db2.gz CMWVELVTCNRJQX-UHFFFAOYSA-N 1 0 180.295 2.434 10 30 AEEERO C=C(C)C[N@H+]1CC[C@H](OC)C[C@H]1C 334143004 166121257 /nfs/dbraw/zinc/12/12/57/166121257.db2.gz BRLJALPBWQOPIG-MNOVXSKESA-N 1 0 183.295 2.062 10 30 AEEERO C=C(C)C[N@H+]1CC[C@@H](OC)C[C@@H]1C 334143007 166121264 /nfs/dbraw/zinc/12/12/64/166121264.db2.gz BRLJALPBWQOPIG-WDEREUQCSA-N 1 0 183.295 2.062 10 30 AEEERO C=C(C)CN(CC)C[C@H]1CCCC[NH2+]1 20074146 166121299 /nfs/dbraw/zinc/12/12/99/166121299.db2.gz WNSNQNUBXMSZJY-GFCCVEGCSA-N 1 0 196.338 2.027 10 30 AEEERO C=C(C)C[N@H+](C[C@@H]1CCOC1)C1CC1 65587560 166121357 /nfs/dbraw/zinc/12/13/57/166121357.db2.gz GXCSPSFHPUXMSK-NSHDSACASA-N 1 0 195.306 2.063 10 30 AEEERO C=C(C)CN(CC)C[C@@H]1CCCC[NH2+]1 20074145 166121435 /nfs/dbraw/zinc/12/14/35/166121435.db2.gz WNSNQNUBXMSZJY-LBPRGKRZSA-N 1 0 196.338 2.027 10 30 AEEERO C=C(C)C[NH2+][C@H](CC(C)C)CN(C)C 51753527 166121825 /nfs/dbraw/zinc/12/18/25/166121825.db2.gz UXJJWEMUPFTHES-GFCCVEGCSA-N 1 0 198.354 2.128 10 30 AEEERO C=C(C)C[NH2+]CCc1ccccc1 41582120 166122052 /nfs/dbraw/zinc/12/20/52/166122052.db2.gz XWLMQRWQFRZTJO-UHFFFAOYSA-N 1 0 175.275 2.395 10 30 AEEERO C=C(C)C[NH2+]CC1CCCC1 51753284 166122149 /nfs/dbraw/zinc/12/21/49/166122149.db2.gz KDXUSOKDIJUDNE-UHFFFAOYSA-N 1 0 153.269 2.342 10 30 AEEERO C=C(C)C[NH2+]CCCCC 41582034 166122167 /nfs/dbraw/zinc/12/21/67/166122167.db2.gz ZEVFNYYPFPHAPA-UHFFFAOYSA-N 1 0 141.258 2.342 10 30 AEEERO C=C(C)C[NH2+][C@@]1(CO)CCC[C@@H](C)C1 53125552 166122318 /nfs/dbraw/zinc/12/23/18/166122318.db2.gz MUAQDCIOAZHMRT-NEPJUHHUSA-N 1 0 197.322 2.093 10 30 AEEERO C=C(C)C[NH2+][C@H](C)C(C)C 49801775 166122334 /nfs/dbraw/zinc/12/23/34/166122334.db2.gz CXDKJSCEMLMNCH-SECBINFHSA-N 1 0 141.258 2.197 10 30 AEEERO C=C(C)C[NH2+][C@]1(CO)CCC[C@H](C)C1 53125550 166122606 /nfs/dbraw/zinc/12/26/06/166122606.db2.gz MUAQDCIOAZHMRT-NWDGAFQWSA-N 1 0 197.322 2.093 10 30 AEEERO C=C(C)C[NH2+]C[C@H](C)N1CCCCC1 51753603 166122674 /nfs/dbraw/zinc/12/26/74/166122674.db2.gz FMLPSUYUVHMHHK-LBPRGKRZSA-N 1 0 196.338 2.027 10 30 AEEERO C=C(C)C[NH2+]Cc1cccc(C)n1 51753678 166122710 /nfs/dbraw/zinc/12/27/10/166122710.db2.gz FPEYBQNEJMNYCI-UHFFFAOYSA-N 1 0 176.263 2.056 10 30 AEEERO C=C(C)C[NH2+]Cc1ccc(F)cc1 41582203 166122764 /nfs/dbraw/zinc/12/27/64/166122764.db2.gz FXTDEKJDNZBBQP-UHFFFAOYSA-N 1 0 179.238 2.491 10 30 AEEERO C=C(C)C[NH2+]Cc1ccc(C)nc1 62053050 166122777 /nfs/dbraw/zinc/12/27/77/166122777.db2.gz GZJUQLVHVIAKCR-UHFFFAOYSA-N 1 0 176.263 2.056 10 30 AEEERO C=C(C)C[NH2+]Cc1ccc(C)o1 53037303 166122796 /nfs/dbraw/zinc/12/27/96/166122796.db2.gz COPQQOOAGYSCQR-UHFFFAOYSA-N 1 0 165.236 2.254 10 30 AEEERO C=C(C)C[NH2+][C@H](C)CCC 49773861 166122919 /nfs/dbraw/zinc/12/29/19/166122919.db2.gz SHSXVMDSXQUFEK-SECBINFHSA-N 1 0 141.258 2.341 10 30 AEEERO C=C(C)C[NH2+]CCN(C(C)C)C(C)C 49801762 166122925 /nfs/dbraw/zinc/12/29/25/166122925.db2.gz ZWDNMOVXAORADX-UHFFFAOYSA-N 1 0 198.354 2.271 10 30 AEEERO C=C(C)C[NH2+]CCOCCC(C)C 51753613 166122998 /nfs/dbraw/zinc/12/29/98/166122998.db2.gz SRVPRUCXZKXAJX-UHFFFAOYSA-N 1 0 185.311 2.215 10 30 AEEERO C=C(C)C[NH2+]C[C@@H](C)N1CCCCC1 51753604 166123343 /nfs/dbraw/zinc/12/33/43/166123343.db2.gz FMLPSUYUVHMHHK-GFCCVEGCSA-N 1 0 196.338 2.027 10 30 AEEERO C=C(C)C[NH2+][C@@H](C)CCC 49773863 166123361 /nfs/dbraw/zinc/12/33/61/166123361.db2.gz SHSXVMDSXQUFEK-VIFPVBQESA-N 1 0 141.258 2.341 10 30 AEEERO C=C(C)C[NH2+]C1Cc2ccccc2C1 96033619 166123382 /nfs/dbraw/zinc/12/33/82/166123382.db2.gz HLFLNDJTQGIWPG-UHFFFAOYSA-N 1 0 187.286 2.320 10 30 AEEERO C=C(C)C[NH2+]CCC(C)C 41626166 166123456 /nfs/dbraw/zinc/12/34/56/166123456.db2.gz IQNMCTVITIMIJS-UHFFFAOYSA-N 1 0 141.258 2.198 10 30 AEEERO C=C(C)C[NH2+][C@@H](CC(C)C)CN(C)C 51753526 166123475 /nfs/dbraw/zinc/12/34/75/166123475.db2.gz UXJJWEMUPFTHES-LBPRGKRZSA-N 1 0 198.354 2.128 10 30 AEEERO C=C(C)C[NH2+][C@@]1(CO)CCC[C@H](C)C1 53125554 166123498 /nfs/dbraw/zinc/12/34/98/166123498.db2.gz MUAQDCIOAZHMRT-RYUDHWBXSA-N 1 0 197.322 2.093 10 30 AEEERO C=C(C)C[NH2+]CCc1ccsc1 51753485 166123505 /nfs/dbraw/zinc/12/35/05/166123505.db2.gz XINSQIQTGNEZAX-UHFFFAOYSA-N 1 0 181.304 2.456 10 30 AEEERO C=C(C)C[NH2+][C@]1(CO)CCC[C@@H](C)C1 53125548 166123516 /nfs/dbraw/zinc/12/35/16/166123516.db2.gz MUAQDCIOAZHMRT-VXGBXAGGSA-N 1 0 197.322 2.093 10 30 AEEERO C=C(C)C[NH2+][C@@H](C)C(C)C 49801776 166123609 /nfs/dbraw/zinc/12/36/09/166123609.db2.gz CXDKJSCEMLMNCH-VIFPVBQESA-N 1 0 141.258 2.197 10 30 AEEERO C=C(C)COc1ccccc1C[NH2+]C 37702427 166124393 /nfs/dbraw/zinc/12/43/93/166124393.db2.gz GQXQKXXAFSXWSN-UHFFFAOYSA-N 1 0 191.274 2.361 10 30 AEEERO C=C(C)COc1ccc(CC[NH3+])cc1 37720356 166124395 /nfs/dbraw/zinc/12/43/95/166124395.db2.gz GAEKPFYHPZJOIW-UHFFFAOYSA-N 1 0 191.274 2.143 10 30 AEEERO C=C(C)CSCCCC[NH3+] 58251304 166124419 /nfs/dbraw/zinc/12/44/19/166124419.db2.gz YTJDVAQVGNWRIK-UHFFFAOYSA-N 1 0 159.298 2.035 10 30 AEEERO C=C(C)COc1ccc(C[NH2+]C)cc1 37702065 166124430 /nfs/dbraw/zinc/12/44/30/166124430.db2.gz RAKIBFBMVITJIJ-UHFFFAOYSA-N 1 0 191.274 2.361 10 30 AEEERO C=C(C)C[C@@]1(C)CCC[NH2+]1 86062573 166124443 /nfs/dbraw/zinc/12/44/43/166124443.db2.gz IGDJYOUUBOBCQQ-SECBINFHSA-N 1 0 139.242 2.095 10 30 AEEERO C=C(C)C[C@H]1C[NH+]2CCC1CC2 43502560 166124606 /nfs/dbraw/zinc/12/46/06/166124606.db2.gz BSYWJTRKEWWQKX-NSHDSACASA-N 1 0 165.280 2.294 10 30 AEEERO C=C(C)COc1ccccc1CC[NH3+] 37720429 166124627 /nfs/dbraw/zinc/12/46/27/166124627.db2.gz DSYJNJXYNLIOLS-UHFFFAOYSA-N 1 0 191.274 2.143 10 30 AEEERO C=C(C)COc1ccc(C[NH3+])cc1 37698874 166124640 /nfs/dbraw/zinc/12/46/40/166124640.db2.gz WQRKJASWYRVALD-UHFFFAOYSA-N 1 0 177.247 2.100 10 30 AEEERO C=C(C)CSC1CC[NH2+]CC1 58255954 166124973 /nfs/dbraw/zinc/12/49/73/166124973.db2.gz FNVIRXDQUPOYKX-UHFFFAOYSA-N 1 0 171.309 2.048 10 30 AEEERO C=C(C)COc1ccccc1C[NH3+] 37698963 166125209 /nfs/dbraw/zinc/12/52/09/166125209.db2.gz NCRZDKCNLDAAGL-UHFFFAOYSA-N 1 0 177.247 2.100 10 30 AEEERO C=C(C)C[C@H]1CCCC[NH2+]1 34617615 166125320 /nfs/dbraw/zinc/12/53/20/166125320.db2.gz QZIPZJMVHJZRHT-SECBINFHSA-N 1 0 139.242 2.095 10 30 AEEERO C=C(C)C[C@@H]1C[NH+]2CCC1CC2 43502559 166125600 /nfs/dbraw/zinc/12/56/00/166125600.db2.gz BSYWJTRKEWWQKX-LLVKDONJSA-N 1 0 165.280 2.294 10 30 AEEERO C=C(C)COc1cccc(CC[NH3+])c1 37721188 166125715 /nfs/dbraw/zinc/12/57/15/166125715.db2.gz HIWMCZKIRULAMJ-UHFFFAOYSA-N 1 0 191.274 2.143 10 30 AEEERO C=C(C)COc1cccc(C[NH2+]C)c1 37703883 166125723 /nfs/dbraw/zinc/12/57/23/166125723.db2.gz YMYFJGSRDISHJA-UHFFFAOYSA-N 1 0 191.274 2.361 10 30 AEEERO C=C(C)COc1cccc(C[NH3+])c1 37699137 166125900 /nfs/dbraw/zinc/12/59/00/166125900.db2.gz SHOUJDVUAYGQBO-UHFFFAOYSA-N 1 0 177.247 2.100 10 30 AEEERO C=C(C)C[C@]1(C)CCC[NH2+]1 86062571 166126160 /nfs/dbraw/zinc/12/61/60/166126160.db2.gz IGDJYOUUBOBCQQ-VIFPVBQESA-N 1 0 139.242 2.095 10 30 AEEERO C=C(C)C[C@@H]([NH3+])CC(F)(F)F 17408775 166126211 /nfs/dbraw/zinc/12/62/11/166126211.db2.gz FWNVFLLLSFJJSZ-ZCFIWIBFSA-N 1 0 167.174 2.232 10 30 AEEERO C=C(C)C[C@H]([NH3+])CC(F)(F)F 17408777 166126213 /nfs/dbraw/zinc/12/62/13/166126213.db2.gz FWNVFLLLSFJJSZ-LURJTMIESA-N 1 0 167.174 2.232 10 30 AEEERO C=C(C)Cn1c(N)[nH+]c2ccccc21 75414849 166127069 /nfs/dbraw/zinc/12/70/69/166127069.db2.gz IFFKGZKQVWCHIA-UHFFFAOYSA-N 1 0 187.246 2.195 10 30 AEEERO C=C(C)[N@H+](CC)C(C)C 100227566 166127745 /nfs/dbraw/zinc/12/77/45/166127745.db2.gz JJJACYPXUYTSRO-UHFFFAOYSA-N 1 0 127.231 2.250 10 30 AEEERO C=C(C)[C@@H]1[NH2+]CCc2cc(O)ccc21 83660463 166128071 /nfs/dbraw/zinc/12/80/71/166128071.db2.gz GKEYBJCTQSRNCZ-LBPRGKRZSA-N 1 0 189.258 2.155 10 30 AEEERO C=C(C)[C@@H]1[NH2+]CCc2ccccc21 83695234 166128256 /nfs/dbraw/zinc/12/82/56/166128256.db2.gz QWTAMOAQWJEQBP-LBPRGKRZSA-N 1 0 173.259 2.450 10 30 AEEERO C=C(C)[C@@H]1[NH2+]CCc2cccc(O)c21 83660461 166128441 /nfs/dbraw/zinc/12/84/41/166128441.db2.gz PGMWAMFHBJAOPG-LBPRGKRZSA-N 1 0 189.258 2.155 10 30 AEEERO C=C(C)[C@@H]1[NH2+]CCc2c(O)cccc21 83703527 166128752 /nfs/dbraw/zinc/12/87/52/166128752.db2.gz GVOPIJFCQUDGMC-LBPRGKRZSA-N 1 0 189.258 2.155 10 30 AEEERO C=C(C)[C@@H]1[NH2+]CCc2ccc(O)cc21 83663850 166129007 /nfs/dbraw/zinc/12/90/07/166129007.db2.gz FOUVZCHBOFERSH-LBPRGKRZSA-N 1 0 189.258 2.155 10 30 AEEERO C=C(C)[C@H]([NH3+])c1ccccc1 34079318 166129746 /nfs/dbraw/zinc/12/97/46/166129746.db2.gz XXZPRXNNZWJBOH-JTQLQIEISA-N 1 0 147.221 2.263 10 30 AEEERO C=C(C)[C@@H]1[NH2+]CCc2ccc(N)cc21 75751856 166130142 /nfs/dbraw/zinc/13/01/42/166130142.db2.gz MAQGCTJXAAJGGT-LBPRGKRZSA-N 1 0 188.274 2.032 10 30 AEEERO C=C(C)[C@@](C)([NH3+])c1ccccc1 75545110 166130774 /nfs/dbraw/zinc/13/07/74/166130774.db2.gz PLBLHHHFRVQXDA-LLVKDONJSA-N 1 0 161.248 2.437 10 30 AEEERO C=C(C)[C@H]1[NH2+]CCc2cc(O)ccc21 83660462 166131732 /nfs/dbraw/zinc/13/17/32/166131732.db2.gz GKEYBJCTQSRNCZ-GFCCVEGCSA-N 1 0 189.258 2.155 10 30 AEEERO C=C(C)[C@H]1[NH2+]CCc2c(O)cccc21 83703526 166131976 /nfs/dbraw/zinc/13/19/76/166131976.db2.gz GVOPIJFCQUDGMC-GFCCVEGCSA-N 1 0 189.258 2.155 10 30 AEEERO C=C(C)[C@](C)([NH3+])c1ccccc1 75545109 166132112 /nfs/dbraw/zinc/13/21/12/166132112.db2.gz PLBLHHHFRVQXDA-NSHDSACASA-N 1 0 161.248 2.437 10 30 AEEERO C=C(C1CC1)[NH+]1CCCC1 148869327 166132226 /nfs/dbraw/zinc/13/22/26/166132226.db2.gz MBWGALUWKFBLQY-UHFFFAOYSA-N 1 0 137.226 2.006 10 30 AEEERO C=C(C)[C@H]1[NH2+]CCc2ccc(N)cc21 75751854 166132390 /nfs/dbraw/zinc/13/23/90/166132390.db2.gz MAQGCTJXAAJGGT-GFCCVEGCSA-N 1 0 188.274 2.032 10 30 AEEERO C=C(C)[C@H]1[NH2+]CCc2ccc(O)cc21 83663849 166132525 /nfs/dbraw/zinc/13/25/25/166132525.db2.gz FOUVZCHBOFERSH-GFCCVEGCSA-N 1 0 189.258 2.155 10 30 AEEERO C=C(C)[C@H]1[NH2+]CCc2ccccc21 83695232 166133109 /nfs/dbraw/zinc/13/31/09/166133109.db2.gz QWTAMOAQWJEQBP-GFCCVEGCSA-N 1 0 173.259 2.450 10 30 AEEERO C=C(C)[C@H]1[NH2+]CCc2cccc(O)c21 83660460 166133281 /nfs/dbraw/zinc/13/32/81/166133281.db2.gz PGMWAMFHBJAOPG-GFCCVEGCSA-N 1 0 189.258 2.155 10 30 AEEERO C=C(CC)C[C@H]([NH3+])CC 44399807 166133909 /nfs/dbraw/zinc/13/39/09/166133909.db2.gz KTWJTAZWXVEXJW-MRVPVSSYSA-N 1 0 127.231 2.080 10 30 AEEERO C=C(CC)C[C@@H]([NH3+])CC 44399805 166134321 /nfs/dbraw/zinc/13/43/21/166134321.db2.gz KTWJTAZWXVEXJW-QMMMGPOBSA-N 1 0 127.231 2.080 10 30 AEEERO C=C(Cl)C[NH2+]CC1CCC1 37681242 166135418 /nfs/dbraw/zinc/13/54/18/166135418.db2.gz VJBOJIVFXOBLLK-UHFFFAOYSA-N 1 0 159.660 2.129 10 30 AEEERO C=C(Cl)C[NH2+]CCC(C)C 37488710 166135475 /nfs/dbraw/zinc/13/54/75/166135475.db2.gz CGUDKIBYPNZDHY-UHFFFAOYSA-N 1 0 161.676 2.375 10 30 AEEERO C=C(Cl)C[NH2+][C@H]1CC1(C)C 45119573 166135896 /nfs/dbraw/zinc/13/58/96/166135896.db2.gz FDOCTKGPVQVMAG-ZETCQYMHSA-N 1 0 159.660 2.127 10 30 AEEERO C=C(Cl)COc1ccc(C[NH3+])cc1 34363444 166136197 /nfs/dbraw/zinc/13/61/97/166136197.db2.gz DHKQDWJTDMTXPS-UHFFFAOYSA-N 1 0 197.665 2.277 10 30 AEEERO C=C(Cl)COc1ccccc1C[NH3+] 37698965 166136413 /nfs/dbraw/zinc/13/64/13/166136413.db2.gz XTJZCNAPUUDPBK-UHFFFAOYSA-N 1 0 197.665 2.277 10 30 AEEERO C=C(Cl)COCCC[NH2+]C(C)C 51863607 166136674 /nfs/dbraw/zinc/13/66/74/166136674.db2.gz TVWXSKLUYKZDMV-UHFFFAOYSA-N 1 0 191.702 2.144 10 30 AEEERO C=C(Cl)C[NH2+][C@@H]1CC1(C)C 45119574 166136716 /nfs/dbraw/zinc/13/67/16/166136716.db2.gz FDOCTKGPVQVMAG-SSDOTTSWSA-N 1 0 159.660 2.127 10 30 AEEERO C=C(Cl)C[NH2+]CCOCCCC 40507263 166137318 /nfs/dbraw/zinc/13/73/18/166137318.db2.gz CXHKPXOZCQEGAK-UHFFFAOYSA-N 1 0 191.702 2.145 10 30 AEEERO C=C(Cl)COC1CCC([NH3+])CC1 55142954 166137723 /nfs/dbraw/zinc/13/77/23/166137723.db2.gz IROTWGINGLCQKO-UHFFFAOYSA-N 1 0 189.686 2.025 10 30 AEEERO C=C(Cl)COc1cccc(C[NH3+])c1 37699139 166137835 /nfs/dbraw/zinc/13/78/35/166137835.db2.gz XWIHUQHCALJTJV-UHFFFAOYSA-N 1 0 197.665 2.277 10 30 AEEERO C=C(Cl)C[NH2+]CCc1ccco1 37979068 166137953 /nfs/dbraw/zinc/13/79/53/166137953.db2.gz XGFWXDWTFIKBBX-UHFFFAOYSA-N 1 0 185.654 2.164 10 30 AEEERO C=C(Cl)C[NH2+]CCCC 1684541 166137990 /nfs/dbraw/zinc/13/79/90/166137990.db2.gz HZPBLMKBIUVCOY-UHFFFAOYSA-N 1 0 147.649 2.129 10 30 AEEERO C=C(c1cccs1)[C@H](C)[NH3+] 26948009 166138706 /nfs/dbraw/zinc/13/87/06/166138706.db2.gz DJPRNAABEPKNOH-ZETCQYMHSA-N 1 0 153.250 2.109 10 30 AEEERO C=C(Cl)N(CC)/C(C)=[NH+]/CC 100036130 166138847 /nfs/dbraw/zinc/13/88/47/166138847.db2.gz FGKDLTPOQSRCIM-CSKARUKUSA-N 1 0 174.675 2.457 10 30 AEEERO C=C(c1ccccc1)C(C)(C)[NH3+] 75545107 166140409 /nfs/dbraw/zinc/14/04/09/166140409.db2.gz KCOZDDOMKWNINW-UHFFFAOYSA-N 1 0 161.248 2.437 10 30 AEEERO C=C1CC(C)(C)C(C)=[NH+]1 39094634 166143333 /nfs/dbraw/zinc/14/33/33/166143333.db2.gz LXZNKRDDAXTVIV-UHFFFAOYSA-N 1 0 123.199 2.391 10 30 AEEERO C=C1CC(C[NH3+])(CC2CC2)C1 148545526 166143428 /nfs/dbraw/zinc/14/34/28/166143428.db2.gz BOAYNCMXZXPYEZ-UHFFFAOYSA-N 1 0 151.253 2.082 10 30 AEEERO C=C1C(C)(C)[C@H]2CC[C@]1([NH3+])C2 5765806 166143665 /nfs/dbraw/zinc/14/36/65/166143665.db2.gz DRECVDVROUTDNN-WPRPVWTQSA-N 1 0 151.253 2.080 10 30 AEEERO C=C1C(C)(C)[C@@H]2CC[C@@]1([NH3+])C2 5765370 166143741 /nfs/dbraw/zinc/14/37/41/166143741.db2.gz DRECVDVROUTDNN-PSASIEDQSA-N 1 0 151.253 2.080 10 30 AEEERO C=C1CCCC([NH3+])CCC1 39168033 166144331 /nfs/dbraw/zinc/14/43/31/166144331.db2.gz ZHKGLLFIEUEKGT-UHFFFAOYSA-N 1 0 139.242 2.224 10 30 AEEERO C=C1C[N@H+]2CCC[C@H]2C1(C)C 39080209 166145534 /nfs/dbraw/zinc/14/55/34/166145534.db2.gz VVDXRQDRKGMJAP-VIFPVBQESA-N 1 0 151.253 2.047 10 30 AEEERO C=C1C[N@H+]2CCC[C@@H]2C1(C)C 208268455 166145813 /nfs/dbraw/zinc/14/58/13/166145813.db2.gz VVDXRQDRKGMJAP-SECBINFHSA-N 1 0 151.253 2.047 10 30 AEEERO C=C1CCC[C@H]2[NH2+]CCC[C@@H]12 75539313 166146449 /nfs/dbraw/zinc/14/64/49/166146449.db2.gz JEVHUUDOXXPGOK-VHSXEESVSA-N 1 0 151.253 2.095 10 30 AEEERO C=C1CCC[C@H]2[NH2+]CCC[C@H]12 75539309 166146889 /nfs/dbraw/zinc/14/68/89/166146889.db2.gz JEVHUUDOXXPGOK-NXEZZACHSA-N 1 0 151.253 2.095 10 30 AEEERO C=C1CCC[C@@H]2[NH2+]CCC[C@H]12 75539311 166147192 /nfs/dbraw/zinc/14/71/92/166147192.db2.gz JEVHUUDOXXPGOK-ZJUUUORDSA-N 1 0 151.253 2.095 10 30 AEEERO C=C1CCC[C@@H]2[NH2+]CCC[C@@H]12 75539314 166147739 /nfs/dbraw/zinc/14/77/39/166147739.db2.gz JEVHUUDOXXPGOK-UWVGGRQHSA-N 1 0 151.253 2.095 10 30 AEEERO C=C1C[C@@H]2CCCC[NH2+][C@@H]2C1 219437780 166148034 /nfs/dbraw/zinc/14/80/34/166148034.db2.gz OWHXAMIVSKMVPH-VHSXEESVSA-N 1 0 151.253 2.095 10 30 AEEERO C=C1C[C@@H]2CCC[N@@H+]2[C@H](C)C1 36436797 166148149 /nfs/dbraw/zinc/14/81/49/166148149.db2.gz GCLSRBRHKCXLTO-ZJUUUORDSA-N 1 0 151.253 2.189 10 30 AEEERO C=C1C[C@H](C)[N@H+]2CCC[C@@H]2C1 34545641 166148306 /nfs/dbraw/zinc/14/83/06/166148306.db2.gz GCLSRBRHKCXLTO-VHSXEESVSA-N 1 0 151.253 2.189 10 30 AEEERO C=C1C[C@H]2CCCC[NH2+][C@@H]2C1 39111521 166148334 /nfs/dbraw/zinc/14/83/34/166148334.db2.gz OWHXAMIVSKMVPH-NXEZZACHSA-N 1 0 151.253 2.095 10 30 AEEERO C=C1C[C@@H]2CCCC[NH2+][C@H]2C1 219437874 166148492 /nfs/dbraw/zinc/14/84/92/166148492.db2.gz OWHXAMIVSKMVPH-UWVGGRQHSA-N 1 0 151.253 2.095 10 30 AEEERO C=C1C[C@H](C)[N@H+]2CCC[C@H]2C1 34545640 166148756 /nfs/dbraw/zinc/14/87/56/166148756.db2.gz GCLSRBRHKCXLTO-UWVGGRQHSA-N 1 0 151.253 2.189 10 30 AEEERO C=C1C[C@@H]2CC[C@@]1([NH3+])C2(C)C 39111512 166148781 /nfs/dbraw/zinc/14/87/81/166148781.db2.gz GFVXFSJLGDFVRX-WPRPVWTQSA-N 1 0 151.253 2.080 10 30 AEEERO C=C1C[C@@H]2[NH2+]CCCC[C@@H]2C1 219437949 166149374 /nfs/dbraw/zinc/14/93/74/166149374.db2.gz OWHXAMIVSKMVPH-ZJUUUORDSA-N 1 0 151.253 2.095 10 30 AEEERO C=C1C[C@@H](C)[N@H+]2CCC[C@@H]2C1 38312191 166149590 /nfs/dbraw/zinc/14/95/90/166149590.db2.gz GCLSRBRHKCXLTO-NXEZZACHSA-N 1 0 151.253 2.189 10 30 AEEERO C=C1[NH+]=C(C)CC1(C)C 39094636 166150378 /nfs/dbraw/zinc/15/03/78/166150378.db2.gz SHBMAYMOUQLZPZ-UHFFFAOYSA-N 1 0 123.199 2.391 10 30 AEEERO C=C1[C@@H]2CC[C@@]([NH3+])(C2)C1(C)C 45809649 166150845 /nfs/dbraw/zinc/15/08/45/166150845.db2.gz DMELIBGVYFEADI-PSASIEDQSA-N 1 0 151.253 2.080 10 30 AEEERO C=C1OCC[C@@]1(C)[NH2+]C(C)(C)C 39038488 166151371 /nfs/dbraw/zinc/15/13/71/166151371.db2.gz DHQSMJUZNCAWKU-SNVBAGLBSA-N 1 0 169.268 2.067 10 30 AEEERO C=C1OCC[C@]1(C)[NH2+]C(C)(C)C 39038487 166151994 /nfs/dbraw/zinc/15/19/94/166151994.db2.gz DHQSMJUZNCAWKU-JTQLQIEISA-N 1 0 169.268 2.067 10 30 AEEERO C=CC/[NH+]=C\c1ccc(F)cc1 39088986 166160653 /nfs/dbraw/zinc/16/06/53/166160653.db2.gz XHXKWCSVVGQDQC-WQLSENKSSA-N 1 0 163.195 2.431 10 30 AEEERO C=CC(C)(C)[C@@]1(C)[NH2+]CCS1 33872483 166161351 /nfs/dbraw/zinc/16/13/51/166161351.db2.gz CSVNZFYRAPLTAE-VIFPVBQESA-N 1 0 171.309 2.251 10 30 AEEERO C=CC(C)(C)[C@]1(C)[NH2+]CCS1 33872484 166161719 /nfs/dbraw/zinc/16/17/19/166161719.db2.gz CSVNZFYRAPLTAE-SECBINFHSA-N 1 0 171.309 2.251 10 30 AEEERO C=CCC([NH3+])(CC)CC=C 104566484 166163135 /nfs/dbraw/zinc/16/31/35/166163135.db2.gz VZUWDRNNZFYLBO-UHFFFAOYSA-N 1 0 139.242 2.246 10 30 AEEERO C=CCC(O)(CC=C)[C@@H]1CCCC[NH2+]1 79030908 166163623 /nfs/dbraw/zinc/16/36/23/166163623.db2.gz YBXKDSLNBGBJDS-NSHDSACASA-N 1 0 195.306 2.012 10 30 AEEERO C=CCC([NH3+])(C=C)CC=C 38995512 166163967 /nfs/dbraw/zinc/16/39/67/166163967.db2.gz YBACONPKRIPADP-UHFFFAOYSA-N 1 0 137.226 2.022 10 30 AEEERO C=CCC1(C[NH3+])CCCCC1 75540463 166164297 /nfs/dbraw/zinc/16/42/97/166164297.db2.gz RLTBWXOTEDGIGT-UHFFFAOYSA-N 1 0 153.269 2.472 10 30 AEEERO C=CCC(O)(CC=C)[C@H]1CCCC[NH2+]1 79030913 166164361 /nfs/dbraw/zinc/16/43/61/166164361.db2.gz YBXKDSLNBGBJDS-LLVKDONJSA-N 1 0 195.306 2.012 10 30 AEEERO C=CCC(C)(C)C[C@H](C)[NH3+] 44461372 166165088 /nfs/dbraw/zinc/16/50/88/166165088.db2.gz YIAXLUNCSJVJCI-QMMMGPOBSA-N 1 0 141.258 2.326 10 30 AEEERO C=CCC(C)(C)C[C@@H](C)[NH3+] 44461373 166165440 /nfs/dbraw/zinc/16/54/40/166165440.db2.gz YIAXLUNCSJVJCI-MRVPVSSYSA-N 1 0 141.258 2.326 10 30 AEEERO C=CCC(O)(CC=C)CCCCC[NH3+] 8727300 166165455 /nfs/dbraw/zinc/16/54/55/166165455.db2.gz AMARBDXEVADBSG-UHFFFAOYSA-N 1 0 197.322 2.389 10 30 AEEERO C=CCCC[C@@]1(C)[NH2+]CCS1 33872506 166166183 /nfs/dbraw/zinc/16/61/83/166166183.db2.gz YLHRPVQUUVBFOW-VIFPVBQESA-N 1 0 171.309 2.395 10 30 AEEERO C=CCC[NH+]1C[C@@H](C)S[C@H](C)C1 306528364 166166253 /nfs/dbraw/zinc/16/62/53/166166253.db2.gz HCOYIOYTQPNHMY-NXEZZACHSA-N 1 0 185.336 2.388 10 30 AEEERO C=CCCC[C@@H]([NH3+])CCC 39168061 166166395 /nfs/dbraw/zinc/16/63/95/166166395.db2.gz OUKIAFPLQCHYMC-VIFPVBQESA-N 1 0 141.258 2.470 10 30 AEEERO C=CCC[N@H+]1C[C@H](C)S[C@H](C)C1 306528353 166166403 /nfs/dbraw/zinc/16/64/03/166166403.db2.gz HCOYIOYTQPNHMY-AOOOYVTPSA-N 1 0 185.336 2.388 10 30 AEEERO C=CCC[NH+]1C[C@H](C)S[C@@H](C)C1 306528373 166166495 /nfs/dbraw/zinc/16/64/95/166166495.db2.gz HCOYIOYTQPNHMY-UWVGGRQHSA-N 1 0 185.336 2.388 10 30 AEEERO C=CCC[NH+]1CCCCC1 5283042 166166671 /nfs/dbraw/zinc/16/66/71/166166671.db2.gz FHQXYXLCCMNTJU-UHFFFAOYSA-N 1 0 139.242 2.048 10 30 AEEERO C=CCCC[C@H]([NH3+])CCC 34478610 166166735 /nfs/dbraw/zinc/16/67/35/166166735.db2.gz OUKIAFPLQCHYMC-SECBINFHSA-N 1 0 141.258 2.470 10 30 AEEERO C=CCCOCCC[NH2+]CC(C)C 52599384 166167518 /nfs/dbraw/zinc/16/75/18/166167518.db2.gz ACWJIFXYJAZHLP-UHFFFAOYSA-N 1 0 185.311 2.215 10 30 AEEERO C=CCC[NH2+]CC(=C)Br 75579474 166167738 /nfs/dbraw/zinc/16/77/38/166167738.db2.gz KYJVHUGSVWNOOA-UHFFFAOYSA-N 1 0 190.084 2.061 10 30 AEEERO C=CCCC[C@@H]([NH3+])CC 44405138 166167763 /nfs/dbraw/zinc/16/77/63/166167763.db2.gz AFESTPCHYQCDMC-QMMMGPOBSA-N 1 0 127.231 2.080 10 30 AEEERO C=CCCC[C@H]([NH3+])CC 44405142 166167839 /nfs/dbraw/zinc/16/78/39/166167839.db2.gz AFESTPCHYQCDMC-MRVPVSSYSA-N 1 0 127.231 2.080 10 30 AEEERO C=CCC[NH+]1CCC(C)(C#N)CC1 227351467 166168419 /nfs/dbraw/zinc/16/84/19/166168419.db2.gz OCJSHIFSUNASCO-UHFFFAOYSA-N 1 0 178.279 2.188 10 30 AEEERO C=CCCC[C@]1(C)[NH2+]CCS1 33872508 166168556 /nfs/dbraw/zinc/16/85/56/166168556.db2.gz YLHRPVQUUVBFOW-SECBINFHSA-N 1 0 171.309 2.395 10 30 AEEERO C=CCC[NH2+]C1CCCCC1 5283048 166168681 /nfs/dbraw/zinc/16/86/81/166168681.db2.gz HTKLBKAOCCPEJM-UHFFFAOYSA-N 1 0 153.269 2.485 10 30 AEEERO C=CCC[C@H]1CCC[C@H]1[NH3+] 70595584 166168910 /nfs/dbraw/zinc/16/89/10/166168910.db2.gz YRLJUNRVTFHBGA-DTWKUNHWSA-N 1 0 139.242 2.080 10 30 AEEERO C=CCC[C@@H]1CCC[C@@H]1[NH3+] 70595581 166169186 /nfs/dbraw/zinc/16/91/86/166169186.db2.gz YRLJUNRVTFHBGA-BDAKNGLRSA-N 1 0 139.242 2.080 10 30 AEEERO C=CCC[C@]1(C)CCC[NH2+]1 39115762 166169674 /nfs/dbraw/zinc/16/96/74/166169674.db2.gz POKAZBKYVJKVQC-SECBINFHSA-N 1 0 139.242 2.095 10 30 AEEERO C=CCC[C@@H]1CCC[C@H]1[NH3+] 70595583 166169705 /nfs/dbraw/zinc/16/97/05/166169705.db2.gz YRLJUNRVTFHBGA-RKDXNWHRSA-N 1 0 139.242 2.080 10 30 AEEERO C=CCC[C@@H](C)[NH2+][C@@H]1CCCC[C@@H]1O 96034309 166169789 /nfs/dbraw/zinc/16/97/89/166169789.db2.gz GIJWALOUQTYWTL-UTUOFQBUSA-N 1 0 197.322 2.234 10 30 AEEERO C=CCC[C@H](C)[NH2+]CC=C 21994318 166169939 /nfs/dbraw/zinc/16/99/39/166169939.db2.gz BJXAXBQJGQUEIP-VIFPVBQESA-N 1 0 139.242 2.117 10 30 AEEERO C=CCC[C@H]1CCC[C@@H]1[NH3+] 70595582 166169978 /nfs/dbraw/zinc/16/99/78/166169978.db2.gz YRLJUNRVTFHBGA-IUCAKERBSA-N 1 0 139.242 2.080 10 30 AEEERO 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343160327 /nfs/dbraw/zinc/16/03/27/343160327.db2.gz CZLROEBYEBBMCJ-JTQLQIEISA-N 1 0 168.284 2.411 10 30 AEEERO CC[C@@H](C)[N@H+](CC)CCCC#N 37113097 343160410 /nfs/dbraw/zinc/16/04/10/343160410.db2.gz CZLROEBYEBBMCJ-SNVBAGLBSA-N 1 0 168.284 2.411 10 30 AEEERO C[N@H+](C1CC1)[C@H]1CCCC[C@@H]1C#N 37147011 343160821 /nfs/dbraw/zinc/16/08/21/343160821.db2.gz IWPWVQUIDHFWOE-KOLCDFICSA-N 1 0 178.279 2.163 10 30 AEEERO CC1CC[NH+]([C@@H]2CCC[C@@H]2C#N)CC1 37145565 343160846 /nfs/dbraw/zinc/16/08/46/343160846.db2.gz IZIWKVMWFBNHHY-VXGBXAGGSA-N 1 0 192.306 2.411 10 30 AEEERO CCCC[N@H+](C)[C@H]1CCC[C@@H]1C#N 37146036 343160855 /nfs/dbraw/zinc/16/08/55/343160855.db2.gz ZSGVKOLNVHFRSJ-MNOVXSKESA-N 1 0 180.295 2.411 10 30 AEEERO CCC[N@H+](C)[C@H]1CCCC[C@@H]1C#N 37147163 343160875 /nfs/dbraw/zinc/16/08/75/343160875.db2.gz FKSRYHMBKDACDU-MNOVXSKESA-N 1 0 180.295 2.411 10 30 AEEERO CC1CC[NH+]([C@H]2CCC[C@@H]2C#N)CC1 37145566 343160917 /nfs/dbraw/zinc/16/09/17/343160917.db2.gz IZIWKVMWFBNHHY-NEPJUHHUSA-N 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2.178 10 30 AEEERO C[C@H](C#N)C[N@H+](CC1CC1)C1CC1 70736545 343527331 /nfs/dbraw/zinc/52/73/31/343527331.db2.gz ZRDDMZUAOGXKHR-SECBINFHSA-N 1 0 178.279 2.020 10 30 AEEERO C[C@@H](C#N)C[N@H+](CC1CC1)C1CC1 70736547 343527439 /nfs/dbraw/zinc/52/74/39/343527439.db2.gz ZRDDMZUAOGXKHR-VIFPVBQESA-N 1 0 178.279 2.020 10 30 AEEERO C=CC[C@H]1CCCC[C@H]([NH3+])C1 70742470 343528442 /nfs/dbraw/zinc/52/84/42/343528442.db2.gz BMWFXSTVCUKUIV-UWVGGRQHSA-N 1 0 153.269 2.470 10 30 AEEERO C=CC[C@@H]1CCCC[C@H]([NH3+])C1 70742469 343528478 /nfs/dbraw/zinc/52/84/78/343528478.db2.gz BMWFXSTVCUKUIV-ZJUUUORDSA-N 1 0 153.269 2.470 10 30 AEEERO C=CC[C@@H]1CCCC[C@@H]([NH3+])C1 70742472 343528511 /nfs/dbraw/zinc/52/85/11/343528511.db2.gz BMWFXSTVCUKUIV-NXEZZACHSA-N 1 0 153.269 2.470 10 30 AEEERO C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1C#N 70830362 343534494 /nfs/dbraw/zinc/53/44/94/343534494.db2.gz ZNUJYHLWGQSKOU-WISYIIOYSA-N 1 0 192.306 2.457 10 30 AEEERO CCCC(=[NH2+])Nc1cnccc1C 70959740 343544833 /nfs/dbraw/zinc/54/48/33/343544833.db2.gz ROHQJYHCDFUQIE-UHFFFAOYSA-N 1 0 177.251 2.179 10 30 AEEERO CC1(C)CC(S)CC(C)(C)[NH2+]1 77319441 343581139 /nfs/dbraw/zinc/58/11/39/343581139.db2.gz YYBIVSVNNWMKCC-UHFFFAOYSA-N 1 0 173.325 2.225 10 30 in-vitro AEEERO C=C[C@@H]([NH3+])C1CCCCC1 78677637 343583801 /nfs/dbraw/zinc/58/38/01/343583801.db2.gz ZXCWMTOYIXNPEX-SECBINFHSA-N 1 0 139.242 2.080 10 30 AEEERO Cc1cc(C[C@@H](C)C=O)cc(C)n1 79045393 343586226 /nfs/dbraw/zinc/58/62/26/343586226.db2.gz VVIHKIWJTQVWGG-MRVPVSSYSA-N 1 0 177.247 2.076 10 30 AEEERO Cc1cc(C[C@H](C)C=O)cc(C)n1 79045403 343586444 /nfs/dbraw/zinc/58/64/44/343586444.db2.gz VVIHKIWJTQVWGG-QMMMGPOBSA-N 1 0 177.247 2.076 10 30 AEEERO C=CCCC[N@@H+](CC)CC(C)(C)O 79618969 343589791 /nfs/dbraw/zinc/58/97/91/343589791.db2.gz PQFBRHRANYOCMH-UHFFFAOYSA-N 1 0 185.311 2.045 10 30 AEEERO CC1(C[NH2+]CCC#N)CCCC1 82625466 343608514 /nfs/dbraw/zinc/60/85/14/343608514.db2.gz BGIYITUNGMXRIH-UHFFFAOYSA-N 1 0 166.268 2.070 10 30 AEEERO C[C@@H]1C[C@@H]1C[N@H+](C)[C@@H]1CCC[C@@H]1C#N 82648571 343609150 /nfs/dbraw/zinc/60/91/50/343609150.db2.gz NWOXMUZICPOQAB-DDHJBXDOSA-N 1 0 192.306 2.266 10 30 AEEERO CC[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)C1CC1 83056491 343616117 /nfs/dbraw/zinc/61/61/17/343616117.db2.gz LRHTZNBDQQACMR-GRYCIOLGSA-N 1 0 192.306 2.457 10 30 AEEERO CC[C@H]([NH2+][C@H]1CCC[C@@H]1C#N)C1CC1 83056495 343616389 /nfs/dbraw/zinc/61/63/89/343616389.db2.gz LRHTZNBDQQACMR-WOPDTQHZSA-N 1 0 192.306 2.457 10 30 AEEERO C[C@H]1CCC[C@@H]([NH2+]CCC#N)CC1 83427243 343619647 /nfs/dbraw/zinc/61/96/47/343619647.db2.gz JCFOMAYTZKLWDU-WDEREUQCSA-N 1 0 180.295 2.458 10 30 AEEERO C[C@@H]1CCC[C@H]([NH2+]CCC#N)CC1 83427240 343619757 /nfs/dbraw/zinc/61/97/57/343619757.db2.gz JCFOMAYTZKLWDU-MNOVXSKESA-N 1 0 180.295 2.458 10 30 AEEERO C[C@H]1CCC[C@H]([NH2+]CCC#N)CC1 83427241 343620067 /nfs/dbraw/zinc/62/00/67/343620067.db2.gz JCFOMAYTZKLWDU-QWRGUYRKSA-N 1 0 180.295 2.458 10 30 AEEERO C[C@@H]1CCC[C@@H]([NH2+]CCC#N)CC1 83427242 343620071 /nfs/dbraw/zinc/62/00/71/343620071.db2.gz JCFOMAYTZKLWDU-GHMZBOCLSA-N 1 0 180.295 2.458 10 30 AEEERO C[N@H+](CCC(C)(C)C#N)CC1CC1 83640531 343622314 /nfs/dbraw/zinc/62/23/14/343622314.db2.gz FZVYUWNZVRIWDD-UHFFFAOYSA-N 1 0 180.295 2.268 10 30 AEEERO CCC[C@@H](C)[NH2+]CC1(CC#N)CC1 83853520 343625492 /nfs/dbraw/zinc/62/54/92/343625492.db2.gz FYBYNRRPLMWZNT-SNVBAGLBSA-N 1 0 180.295 2.458 10 30 AEEERO CCC[C@H](C)[NH2+]CC1(CC#N)CC1 83853521 343625512 /nfs/dbraw/zinc/62/55/12/343625512.db2.gz FYBYNRRPLMWZNT-JTQLQIEISA-N 1 0 180.295 2.458 10 30 AEEERO N#CCC1(C[NH2+]C2CCCC2)CC1 83853492 343625543 /nfs/dbraw/zinc/62/55/43/343625543.db2.gz CARGAWVESFYWKL-UHFFFAOYSA-N 1 0 178.279 2.212 10 30 AEEERO CC[C@@H](C)[NH2+]CC1(CC#N)CC1 83853487 343625572 /nfs/dbraw/zinc/62/55/72/343625572.db2.gz HJEPLTAAJLAXCG-SECBINFHSA-N 1 0 166.268 2.068 10 30 AEEERO CCC(CC)[NH2+]CC1(CC#N)CC1 83853493 343625622 /nfs/dbraw/zinc/62/56/22/343625622.db2.gz HEPZWFREHMJCSJ-UHFFFAOYSA-N 1 0 180.295 2.458 10 30 AEEERO CC[C@H](C)[NH2+]CC1(CC#N)CC1 83853488 343625665 /nfs/dbraw/zinc/62/56/65/343625665.db2.gz HJEPLTAAJLAXCG-VIFPVBQESA-N 1 0 166.268 2.068 10 30 AEEERO C[C@@H](CC1CC1)[NH2+]CC1(CC#N)CC1 83854413 343626045 /nfs/dbraw/zinc/62/60/45/343626045.db2.gz AYXLFWWIQZNGHR-JTQLQIEISA-N 1 0 192.306 2.458 10 30 AEEERO N#CCC1(C[NH+]2CCCCC2)CC1 83862256 343626312 /nfs/dbraw/zinc/62/63/12/343626312.db2.gz DIPKWPXSQAIFAM-UHFFFAOYSA-N 1 0 178.279 2.166 10 30 AEEERO C[C@H](CC1CC1)[NH2+]CC1(CC#N)CC1 83854414 343626416 /nfs/dbraw/zinc/62/64/16/343626416.db2.gz AYXLFWWIQZNGHR-SNVBAGLBSA-N 1 0 192.306 2.458 10 30 AEEERO N#C[C@@H]1CCC[C@@H]1[NH2+]CCC1CC1 83894781 343627668 /nfs/dbraw/zinc/62/76/68/343627668.db2.gz XLLWAZYCLKPRKE-QWRGUYRKSA-N 1 0 178.279 2.068 10 30 AEEERO N#C[C@H]1CCC[C@@H]1[NH2+]CCC1CC1 83894780 343627674 /nfs/dbraw/zinc/62/76/74/343627674.db2.gz XLLWAZYCLKPRKE-MNOVXSKESA-N 1 0 178.279 2.068 10 30 AEEERO N#C[C@@H]1CCCC[C@H]1[NH2+]CCC1CC1 83894515 343627686 /nfs/dbraw/zinc/62/76/86/343627686.db2.gz BNMXEKWVXCXLND-NWDGAFQWSA-N 1 0 192.306 2.458 10 30 AEEERO N#C[C@H]1CCC[C@H]1[NH2+]CCC1CC1 83894778 343627741 /nfs/dbraw/zinc/62/77/41/343627741.db2.gz XLLWAZYCLKPRKE-GHMZBOCLSA-N 1 0 178.279 2.068 10 30 AEEERO N#C[C@H]1CCCC[C@H]1[NH2+]CCC1CC1 83894517 343627815 /nfs/dbraw/zinc/62/78/15/343627815.db2.gz BNMXEKWVXCXLND-VXGBXAGGSA-N 1 0 192.306 2.458 10 30 AEEERO N#C[C@H]1CCCC[C@@H]1[NH2+]CCC1CC1 83894516 343627892 /nfs/dbraw/zinc/62/78/92/343627892.db2.gz BNMXEKWVXCXLND-NEPJUHHUSA-N 1 0 192.306 2.458 10 30 AEEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]CCC1CC1 83894514 343627956 /nfs/dbraw/zinc/62/79/56/343627956.db2.gz BNMXEKWVXCXLND-RYUDHWBXSA-N 1 0 192.306 2.458 10 30 AEEERO N#C[C@@H]1CCC[C@H]1[NH2+]CCC1CC1 83894779 343628008 /nfs/dbraw/zinc/62/80/08/343628008.db2.gz XLLWAZYCLKPRKE-WDEREUQCSA-N 1 0 178.279 2.068 10 30 AEEERO C=C[C@@H](CCc1ccccc1)[NH2+]C 83946302 343628834 /nfs/dbraw/zinc/62/88/34/343628834.db2.gz IJUQQLXQVGFGSC-LBPRGKRZSA-N 1 0 175.275 2.393 10 30 AEEERO C=C[C@H](CCc1ccccc1)[NH2+]C 83946300 343629047 /nfs/dbraw/zinc/62/90/47/343629047.db2.gz IJUQQLXQVGFGSC-GFCCVEGCSA-N 1 0 175.275 2.393 10 30 AEEERO CC1(C)CC[N@H+](CCCC#N)C1 85697168 343646203 /nfs/dbraw/zinc/64/62/03/343646203.db2.gz AAWMDWUKJNJZGC-UHFFFAOYSA-N 1 0 166.268 2.022 10 30 AEEERO C[C@H]1C[NH+](CCCCC#N)C[C@@H]1C 85697599 343646401 /nfs/dbraw/zinc/64/64/01/343646401.db2.gz GVAFUALDQGRBSY-QWRGUYRKSA-N 1 0 180.295 2.268 10 30 AEEERO C[C@@H]1C[NH+](CCCCC#N)C[C@H]1C 85697600 343646424 /nfs/dbraw/zinc/64/64/24/343646424.db2.gz GVAFUALDQGRBSY-GHMZBOCLSA-N 1 0 180.295 2.268 10 30 AEEERO C[C@@H]1C[N@@H+](CCCCC#N)C[C@@H]1C 85697596 343646637 /nfs/dbraw/zinc/64/66/37/343646637.db2.gz GVAFUALDQGRBSY-PHIMTYICSA-N 1 0 180.295 2.268 10 30 AEEERO CC1(C)CC[N@H+](CCCCC#N)C1 85697276 343646788 /nfs/dbraw/zinc/64/67/88/343646788.db2.gz BITPBWBEZKEESU-UHFFFAOYSA-N 1 0 180.295 2.412 10 30 AEEERO C[C@H]1C[C@@H]1[NH2+]Cc1cc(C#N)cs1 86500270 343652291 /nfs/dbraw/zinc/65/22/91/343652291.db2.gz VODGLOJXERLEOB-XVKPBYJWSA-N 1 0 192.287 2.118 10 30 AEEERO C[C@@H]1C[C@H]1[NH2+]Cc1cc(C#N)cs1 86500271 343652311 /nfs/dbraw/zinc/65/23/11/343652311.db2.gz VODGLOJXERLEOB-GMSGAONNSA-N 1 0 192.287 2.118 10 30 AEEERO C[C@@H]1C[C@@H]1[NH2+]Cc1cc(C#N)cs1 86500269 343652362 /nfs/dbraw/zinc/65/23/62/343652362.db2.gz VODGLOJXERLEOB-XCBNKYQSSA-N 1 0 192.287 2.118 10 30 AEEERO C[C@H]1C[C@H]1[NH2+]Cc1cc(C#N)cs1 86500272 343652492 /nfs/dbraw/zinc/65/24/92/343652492.db2.gz VODGLOJXERLEOB-OIBJUYFYSA-N 1 0 192.287 2.118 10 30 AEEERO CC1C[NH+](Cc2cccc(C#N)c2)C1 86681292 343653847 /nfs/dbraw/zinc/65/38/47/343653847.db2.gz MYUSYJWQTNXDSL-UHFFFAOYSA-N 1 0 186.258 2.010 10 30 AEEERO CC1C[NH+](Cc2ccc(C#N)cc2)C1 86681264 343654256 /nfs/dbraw/zinc/65/42/56/343654256.db2.gz DIIJBTWJZYORCO-UHFFFAOYSA-N 1 0 186.258 2.010 10 30 AEEERO C[C@@]1(C[NH2+]CCCC#N)CCCS1 87793648 343664885 /nfs/dbraw/zinc/66/48/85/343664885.db2.gz SNCLYEHHRBFHOF-JTQLQIEISA-N 1 0 198.335 2.165 10 30 AEEERO C[C@@H](C#N)C[NH2+]C[C@@]1(C)CCCS1 87793656 343664981 /nfs/dbraw/zinc/66/49/81/343664981.db2.gz XFCIZDVNESLBAT-VHSXEESVSA-N 1 0 198.335 2.021 10 30 AEEERO C[C@@H](C#N)C[NH2+]C[C@]1(C)CCCS1 87793654 343665073 /nfs/dbraw/zinc/66/50/73/343665073.db2.gz XFCIZDVNESLBAT-UWVGGRQHSA-N 1 0 198.335 2.021 10 30 AEEERO C[C@]1(C[NH2+]CCCC#N)CCCS1 87793647 343665258 /nfs/dbraw/zinc/66/52/58/343665258.db2.gz SNCLYEHHRBFHOF-SNVBAGLBSA-N 1 0 198.335 2.165 10 30 AEEERO C[C@H](C#N)C[NH2+]C[C@@]1(C)CCCS1 87793655 343665299 /nfs/dbraw/zinc/66/52/99/343665299.db2.gz XFCIZDVNESLBAT-NXEZZACHSA-N 1 0 198.335 2.021 10 30 AEEERO C[N@@H+]1CC[C@@]2(CC[C@H](CS)C2)C1 95075640 343679498 /nfs/dbraw/zinc/67/94/98/343679498.db2.gz YAONYMCZMHZDDK-VHSXEESVSA-N 1 0 185.336 2.038 10 30 AEEERO C[N@@H+]1CC[C@]2(CC[C@H](CS)C2)C1 95075639 343679703 /nfs/dbraw/zinc/67/97/03/343679703.db2.gz YAONYMCZMHZDDK-UWVGGRQHSA-N 1 0 185.336 2.038 10 30 AEEERO CC(C)[N@@H+]1CCC2(CC(CS)C2)C1 95088243 343680126 /nfs/dbraw/zinc/68/01/26/343680126.db2.gz VOOGEALHTAJIIM-UHFFFAOYSA-N 1 0 199.363 2.427 10 30 AEEERO CC[N@@H+]1CC[C@]2(CC[C@H](CS)C2)C1 95091322 343680532 /nfs/dbraw/zinc/68/05/32/343680532.db2.gz STSBTDJUCLTTGV-QWRGUYRKSA-N 1 0 199.363 2.428 10 30 AEEERO CC[N@@H+]1CC[C@@]2(CC[C@H](CS)C2)C1 95091323 343680676 /nfs/dbraw/zinc/68/06/76/343680676.db2.gz STSBTDJUCLTTGV-WDEREUQCSA-N 1 0 199.363 2.428 10 30 AEEERO CCCCCCC[n+]1ccn(C)c1 100047963 343709805 /nfs/dbraw/zinc/70/98/05/343709805.db2.gz FCZZZYZIQDHCIW-UHFFFAOYSA-N 1 0 181.303 2.283 10 30 AEEERO Cc1csc(/[NH+]=C/N(C)C)c1C#N 100237053 343713511 /nfs/dbraw/zinc/71/35/11/343713511.db2.gz YVQJIPAQSHUQIQ-IZZDOVSWSA-N 1 0 193.275 2.150 10 30 AEEERO CCCC[NH+]1C=CC(S)C=C1 100233171 343713611 /nfs/dbraw/zinc/71/36/11/343713611.db2.gz PHZLIQRCRIAFQM-UHFFFAOYSA-N 1 0 169.293 2.428 10 30 AEEERO C[N@@H+]1CC[C@]2(CC[C@@H](CS)C2)C1 100275748 343714450 /nfs/dbraw/zinc/71/44/50/343714450.db2.gz YAONYMCZMHZDDK-ZJUUUORDSA-N 1 0 185.336 2.038 10 30 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C=C[C@H]([NH2+]C)[C@@H]1CC[C@@H](C)C1 227915865 344550499 /nfs/dbraw/zinc/55/04/99/344550499.db2.gz HOXSPBXBJVKTCA-BBBLOLIVSA-N 1 0 153.269 2.197 10 30 AEEERO C=C[C@H]([NH3+])[C@@H]1CC[C@@H](CC)C1 227916006 344550578 /nfs/dbraw/zinc/55/05/78/344550578.db2.gz NEMKDECJCMVHEP-BBBLOLIVSA-N 1 0 153.269 2.326 10 30 AEEERO C=C[C@H]([NH3+])[C@H]1CC[C@@H](CC)C1 227916014 344550596 /nfs/dbraw/zinc/55/05/96/344550596.db2.gz NEMKDECJCMVHEP-UTLUCORTSA-N 1 0 153.269 2.326 10 30 AEEERO C#C[C@H]([NH3+])[C@@H]1CCC[C@@H](CC)C1 227915722 344550731 /nfs/dbraw/zinc/55/07/31/344550731.db2.gz SVYRNHPOCZKKKM-MXWKQRLJSA-N 1 0 165.280 2.163 10 30 AEEERO C=C(C)CC[C@H]1CCC[C@@H]1[NH3+] 229081083 344581449 /nfs/dbraw/zinc/58/14/49/344581449.db2.gz PMVIUSOVJLMFRN-ZJUUUORDSA-N 1 0 153.269 2.470 10 30 AEEERO C[C@H](C#N)C[N@@H+]1CCC[C@@H]2CCC[C@H]21 228012974 344555279 /nfs/dbraw/zinc/55/52/79/344555279.db2.gz RJAKPTWHRNGSEF-GRYCIOLGSA-N 1 0 192.306 2.411 10 30 AEEERO C#C[C@H]([NH3+])[C@@H]1CCC[C@H](CC)C1 228094278 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UGYBUXDSUFEZLT-AEJSXWLSSA-N 1 0 153.269 2.326 10 30 AEEERO C=C[C@H]([NH3+])[C@@H]1CC[C@H](CC)C1 228094463 344557301 /nfs/dbraw/zinc/55/73/01/344557301.db2.gz NEMKDECJCMVHEP-AEJSXWLSSA-N 1 0 153.269 2.326 10 30 AEEERO C#C[C@H]([NH3+])[C@H]1CCC[C@H](CC)C1 228094267 344557304 /nfs/dbraw/zinc/55/73/04/344557304.db2.gz SVYRNHPOCZKKKM-DCAQKATOSA-N 1 0 165.280 2.163 10 30 AEEERO CC[N@@H+]1CCC/C(=C/C(C)=O)CC1 228124400 344557583 /nfs/dbraw/zinc/55/75/83/344557583.db2.gz PUTCLFDDQKAHEI-LUAWRHEFSA-N 1 0 181.279 2.008 10 30 AEEERO C=CC[C@H]([NH3+])[C@@H]1CC[C@H](C)C1 228115604 344557612 /nfs/dbraw/zinc/55/76/12/344557612.db2.gz JLCRBOXMYJWTGX-AEJSXWLSSA-N 1 0 153.269 2.326 10 30 AEEERO C=CC[C@H]([NH3+])[C@H]1CC[C@H](C)C1 228115594 344557697 /nfs/dbraw/zinc/55/76/97/344557697.db2.gz JLCRBOXMYJWTGX-GUBZILKMSA-N 1 0 153.269 2.326 10 30 AEEERO C#CC[C@H]([NH3+])[C@@H]1CC[C@H](CC)C1 228161874 344558282 /nfs/dbraw/zinc/55/82/82/344558282.db2.gz MIZAWTAQTJGPBA-AXFHLTTASA-N 1 0 165.280 2.163 10 30 AEEERO C#CC[C@H]([NH3+])[C@H]1CC[C@H](CC)C1 228161858 344558346 /nfs/dbraw/zinc/55/83/46/344558346.db2.gz MIZAWTAQTJGPBA-DCAQKATOSA-N 1 0 165.280 2.163 10 30 AEEERO C#CCC/C=C1/CCC[C@H]([NH3+])C1 228219115 344559270 /nfs/dbraw/zinc/55/92/70/344559270.db2.gz SWGIMSUOJSYKFG-YAEJEKNGSA-N 1 0 163.264 2.228 10 30 AEEERO C#C/C=C(/C)C[C@H]1CCCC[NH2+]1 228630414 344564693 /nfs/dbraw/zinc/56/46/93/344564693.db2.gz FDGVOPZXTGRIGZ-SDKXAQGSSA-N 1 0 163.264 2.098 10 30 AEEERO C#C/C=C(/C)C[C@@H]1CCCC[NH2+]1 228630401 344564851 /nfs/dbraw/zinc/56/48/51/344564851.db2.gz FDGVOPZXTGRIGZ-YAEJEKNGSA-N 1 0 163.264 2.098 10 30 AEEERO CC1([NH2+][C@@H]2CCCC[C@H]2C#N)CC1 228841381 344569870 /nfs/dbraw/zinc/56/98/70/344569870.db2.gz JOBIDPVJFHKTIC-VHSXEESVSA-N 1 0 178.279 2.211 10 30 AEEERO CC1([NH2+][C@H]2CCCC[C@H]2C#N)CC1 228841392 344569996 /nfs/dbraw/zinc/56/99/96/344569996.db2.gz JOBIDPVJFHKTIC-UWVGGRQHSA-N 1 0 178.279 2.211 10 30 AEEERO CC1([NH2+][C@H]2CCCC[C@@H]2C#N)CC1 228841372 344570092 /nfs/dbraw/zinc/57/00/92/344570092.db2.gz JOBIDPVJFHKTIC-ZJUUUORDSA-N 1 0 178.279 2.211 10 30 AEEERO CC1([NH2+][C@@H]2CCCC[C@@H]2C#N)CC1 228841363 344570187 /nfs/dbraw/zinc/57/01/87/344570187.db2.gz JOBIDPVJFHKTIC-NXEZZACHSA-N 1 0 178.279 2.211 10 30 AEEERO C=C(C)C[NH2+]C1(C)CCC1 228848315 344570727 /nfs/dbraw/zinc/57/07/27/344570727.db2.gz INXAFHOPZIIDDD-UHFFFAOYSA-N 1 0 139.242 2.095 10 30 AEEERO CC1([NH2+][C@@H]2CCC[C@H]2C#N)CCC1 228854722 344571007 /nfs/dbraw/zinc/57/10/07/344571007.db2.gz LAKAGIUMSGXPDK-VHSXEESVSA-N 1 0 178.279 2.211 10 30 AEEERO C=C(Cl)C[NH2+]C1(C)CCC1 228854603 344571069 /nfs/dbraw/zinc/57/10/69/344571069.db2.gz JUOHCJTWCSIWQO-UHFFFAOYSA-N 1 0 159.660 2.271 10 30 AEEERO CC1([NH2+][C@@H]2CCC[C@@H]2C#N)CCC1 228854702 344571190 /nfs/dbraw/zinc/57/11/90/344571190.db2.gz LAKAGIUMSGXPDK-NXEZZACHSA-N 1 0 178.279 2.211 10 30 AEEERO CC1([NH2+][C@H]2CCC[C@@H]2C#N)CCC1 228854710 344571197 /nfs/dbraw/zinc/57/11/97/344571197.db2.gz LAKAGIUMSGXPDK-ZJUUUORDSA-N 1 0 178.279 2.211 10 30 AEEERO CC1([NH2+][C@H]2CCC[C@H]2C#N)CCC1 228854729 344571242 /nfs/dbraw/zinc/57/12/42/344571242.db2.gz LAKAGIUMSGXPDK-UWVGGRQHSA-N 1 0 178.279 2.211 10 30 AEEERO C#CC[C@H](CC)NC1=[NH+]CCCCC1 228926093 344575441 /nfs/dbraw/zinc/57/54/41/344575441.db2.gz LGGASGUZDZTVSD-NSHDSACASA-N 1 0 192.306 2.350 10 30 AEEERO C#CC[C@@H](CC)NC1=[NH+]CCCCC1 228926108 344575463 /nfs/dbraw/zinc/57/54/63/344575463.db2.gz LGGASGUZDZTVSD-LLVKDONJSA-N 1 0 192.306 2.350 10 30 AEEERO C=CC[C@@H](C)[N@@H+]1CC(C)(C)NC[C@@H]1C 228955433 344577229 /nfs/dbraw/zinc/57/72/29/344577229.db2.gz SHKLEODGBJQUSD-MNOVXSKESA-N 1 0 196.338 2.023 10 30 AEEERO C#CC[C@@H](C)Nc1cc[nH+]cc1C 228989493 344578911 /nfs/dbraw/zinc/57/89/11/344578911.db2.gz KDFKKYRRAKNPEE-SNVBAGLBSA-N 1 0 174.247 2.214 10 30 AEEERO C#CC[C@H](C)Nc1cc[nH+]cc1C 228989483 344579125 /nfs/dbraw/zinc/57/91/25/344579125.db2.gz KDFKKYRRAKNPEE-JTQLQIEISA-N 1 0 174.247 2.214 10 30 AEEERO C=C(C)CC[C@@H]1CCC[C@H]1[NH3+] 229081097 344581442 /nfs/dbraw/zinc/58/14/42/344581442.db2.gz PMVIUSOVJLMFRN-VHSXEESVSA-N 1 0 153.269 2.470 10 30 AEEERO C=C(C)CC[C@H]1CCC[C@H]1[NH3+] 229081105 344581480 /nfs/dbraw/zinc/58/14/80/344581480.db2.gz PMVIUSOVJLMFRN-NXEZZACHSA-N 1 0 153.269 2.470 10 30 AEEERO C=C(C)CC[C@@H]1CCC[C@@H]1[NH3+] 229081077 344581567 /nfs/dbraw/zinc/58/15/67/344581567.db2.gz PMVIUSOVJLMFRN-UWVGGRQHSA-N 1 0 153.269 2.470 10 30 AEEERO C=C(C)CC[C@H]1CCCC[NH2+]1 229082349 344581614 /nfs/dbraw/zinc/58/16/14/344581614.db2.gz DXAYMCDZGHLSAA-SNVBAGLBSA-N 1 0 153.269 2.485 10 30 AEEERO C=C(C)CC[C@@H]1CCCC[NH2+]1 229082334 344581737 /nfs/dbraw/zinc/58/17/37/344581737.db2.gz DXAYMCDZGHLSAA-JTQLQIEISA-N 1 0 153.269 2.485 10 30 AEEERO C=C(C)CC=C1CC[NH2+]CC1 229101630 344581895 /nfs/dbraw/zinc/58/18/95/344581895.db2.gz JFFVYWLESPKZHN-UHFFFAOYSA-N 1 0 151.253 2.262 10 30 AEEERO C=C(C)CCC1=C[C@@H]([NH3+])CC1 229094835 344581937 /nfs/dbraw/zinc/58/19/37/344581937.db2.gz IFGWVCBILOAKHB-JTQLQIEISA-N 1 0 151.253 2.390 10 30 AEEERO C=C(C)C/C=C1/CCC[NH2+]C1 229101702 344582050 /nfs/dbraw/zinc/58/20/50/344582050.db2.gz XTSDUPJLRMPANV-POHAHGRESA-N 1 0 151.253 2.262 10 30 AEEERO C=C(C)CC[C@H]1CCC[NH2+]C1 229109774 344582544 /nfs/dbraw/zinc/58/25/44/344582544.db2.gz PVXBPMDMHTVLFV-SNVBAGLBSA-N 1 0 153.269 2.342 10 30 AEEERO Cc1cc(C#N)ccc1C[NH2+]C(C)C 229135316 344583163 /nfs/dbraw/zinc/58/31/63/344583163.db2.gz SAZJCDIKVBEXNY-UHFFFAOYSA-N 1 0 188.274 2.365 10 30 AEEERO CC[N@H+](C)Cc1ccc(C#N)cc1C 229147993 344584332 /nfs/dbraw/zinc/58/43/32/344584332.db2.gz RJUISFDQAHAJIQ-UHFFFAOYSA-N 1 0 188.274 2.318 10 30 AEEERO C=C[C@@H](C)NC1=[NH+]CCCCC1 229202766 344585804 /nfs/dbraw/zinc/58/58/04/344585804.db2.gz DESKTGKGIIRWPM-SECBINFHSA-N 1 0 166.268 2.123 10 30 AEEERO C=C[C@H](C)NC1=[NH+]CCCCC1 229202779 344585969 /nfs/dbraw/zinc/58/59/69/344585969.db2.gz DESKTGKGIIRWPM-VIFPVBQESA-N 1 0 166.268 2.123 10 30 AEEERO C=C[C@@H](C)Nc1cc[nH+]cc1C 229243094 344587353 /nfs/dbraw/zinc/58/73/53/344587353.db2.gz 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/nfs/dbraw/zinc/50/42/94/346504294.db2.gz OBPIUCSBAWDXHZ-QWRGUYRKSA-N 1 0 178.279 2.234 10 30 AEEERO C[C@H]1C[C@@H](C)[N@@H+]1CCCSCC#N 379379460 346509946 /nfs/dbraw/zinc/50/99/46/346509946.db2.gz BAIAXIBRJXSWNR-AOOOYVTPSA-N 1 0 198.335 2.116 10 30 AEEERO C[C@@H]1C[C@@H](C)[NH+]1CCCSCC#N 379379461 346509964 /nfs/dbraw/zinc/50/99/64/346509964.db2.gz BAIAXIBRJXSWNR-NXEZZACHSA-N 1 0 198.335 2.116 10 30 AEEERO C[C@H]1C[C@H](C)[NH+]1CCCSCC#N 379379462 346510123 /nfs/dbraw/zinc/51/01/23/346510123.db2.gz BAIAXIBRJXSWNR-UWVGGRQHSA-N 1 0 198.335 2.116 10 30 AEEERO C=CCCC[NH2+][C@H]1CC[C@H](C#N)C1 379383886 346511115 /nfs/dbraw/zinc/51/11/15/346511115.db2.gz LURARIYYIWBPNT-QWRGUYRKSA-N 1 0 178.279 2.234 10 30 AEEERO C=CCCC[NH2+][C@@H]1CC[C@H](C#N)C1 379383887 346511119 /nfs/dbraw/zinc/51/11/19/346511119.db2.gz LURARIYYIWBPNT-WDEREUQCSA-N 1 0 178.279 2.234 10 30 AEEERO C=CCCC[NH2+][C@@H]1CC[C@@H](C#N)C1 379383884 346511137 /nfs/dbraw/zinc/51/11/37/346511137.db2.gz LURARIYYIWBPNT-GHMZBOCLSA-N 1 0 178.279 2.234 10 30 AEEERO C=CCCC[NH2+][C@H]1CC[C@@H](C#N)C1 379383885 346511186 /nfs/dbraw/zinc/51/11/86/346511186.db2.gz LURARIYYIWBPNT-MNOVXSKESA-N 1 0 178.279 2.234 10 30 AEEERO C=C(C)C[N@H+](C)CCCSCC#N 379382107 346511350 /nfs/dbraw/zinc/51/13/50/346511350.db2.gz DQFFKKQOZDRPLP-UHFFFAOYSA-N 1 0 198.335 2.141 10 30 AEEERO C=CCCC[NH+]1C[C@H](C)O[C@@H](C)C1 379389386 346513456 /nfs/dbraw/zinc/51/34/56/346513456.db2.gz LJJHXSGSGMLPCJ-QWRGUYRKSA-N 1 0 183.295 2.062 10 30 AEEERO C=CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 379389385 346513486 /nfs/dbraw/zinc/51/34/86/346513486.db2.gz LJJHXSGSGMLPCJ-GHMZBOCLSA-N 1 0 183.295 2.062 10 30 AEEERO C=CCC[N@@H+](C[C@H](C)C#N)C1CC1 379399547 346516738 /nfs/dbraw/zinc/51/67/38/346516738.db2.gz HEUVBOZBOGTTED-SNVBAGLBSA-N 1 0 178.279 2.187 10 30 AEEERO C=CCC[N@@H+](C[C@@H](C)C#N)C1CC1 379399546 346516755 /nfs/dbraw/zinc/51/67/55/346516755.db2.gz HEUVBOZBOGTTED-JTQLQIEISA-N 1 0 178.279 2.187 10 30 AEEERO C=CCCC[N@@H+]1[C@@H](C)COC[C@H]1C 379406115 346519035 /nfs/dbraw/zinc/51/90/35/346519035.db2.gz VPFXSWWWNJLUNB-PHIMTYICSA-N 1 0 183.295 2.062 10 30 AEEERO C=CCCC[NH+]1[C@@H](C)COC[C@@H]1C 379406116 346519115 /nfs/dbraw/zinc/51/91/15/346519115.db2.gz VPFXSWWWNJLUNB-QWRGUYRKSA-N 1 0 183.295 2.062 10 30 AEEERO C=CCCC[NH+]1[C@H](C)COC[C@H]1C 379406114 346519308 /nfs/dbraw/zinc/51/93/08/346519308.db2.gz VPFXSWWWNJLUNB-GHMZBOCLSA-N 1 0 183.295 2.062 10 30 AEEERO C=CCCC[NH+]1CCC(OC)CC1 379408593 346519736 /nfs/dbraw/zinc/51/97/36/346519736.db2.gz BDNMNRHUCYSBDA-UHFFFAOYSA-N 1 0 183.295 2.063 10 30 AEEERO CC(C)C1CC([NH2+]CCCC#N)C1 379412009 346521546 /nfs/dbraw/zinc/52/15/46/346521546.db2.gz JKTMASYMQKJTAD-UHFFFAOYSA-N 1 0 180.295 2.314 10 30 AEEERO C=CCCC[N@@H+](C[C@H](C)O)C(C)C 379416422 346521953 /nfs/dbraw/zinc/52/19/53/346521953.db2.gz RSQJAKIGKCOXKI-NSHDSACASA-N 1 0 185.311 2.044 10 30 AEEERO C=CCCC[N@@H+](C[C@@H](C)O)C(C)C 379416421 346522419 /nfs/dbraw/zinc/52/24/19/346522419.db2.gz RSQJAKIGKCOXKI-LLVKDONJSA-N 1 0 185.311 2.044 10 30 AEEERO C=CCCC[NH2+]Cc1ccc(C#N)o1 379487513 346523455 /nfs/dbraw/zinc/52/34/55/346523455.db2.gz LDMCIGKUROPPHN-UHFFFAOYSA-N 1 0 190.246 2.207 10 30 AEEERO CC(C)C1([NH2+]CC2(CC#N)CC2)CC1 379439794 346523687 /nfs/dbraw/zinc/52/36/87/346523687.db2.gz VRAYFELTBMHZIL-UHFFFAOYSA-N 1 0 192.306 2.458 10 30 AEEERO CC1(C[NH2+]CC2(C#N)CC2)CCC1 379419899 346523711 /nfs/dbraw/zinc/52/37/11/346523711.db2.gz ZFPIWRMVAWIZEE-UHFFFAOYSA-N 1 0 178.279 2.070 10 30 AEEERO C[C@]12C[C@H]1CCC[C@H]2[NH2+]CCCC#N 379569802 346524844 /nfs/dbraw/zinc/52/48/44/346524844.db2.gz BOXZXRUSSUBNOT-UTUOFQBUSA-N 1 0 192.306 2.458 10 30 AEEERO C[C@]12C[C@H]1CCC[C@@H]2[NH2+]CCCC#N 379569807 346525133 /nfs/dbraw/zinc/52/51/33/346525133.db2.gz BOXZXRUSSUBNOT-WOPDTQHZSA-N 1 0 192.306 2.458 10 30 AEEERO C=CCCCC[NH2+]Cc1cc(C)no1 379537837 346525202 /nfs/dbraw/zinc/52/52/02/346525202.db2.gz MRLVWDAZVPHHCE-UHFFFAOYSA-N 1 0 194.278 2.429 10 30 AEEERO C[C@H]([NH2+]CC1(C#N)CC1)[C@@H]1CC1(C)C 379599597 346526420 /nfs/dbraw/zinc/52/64/20/346526420.db2.gz JULAYYSDHQKTFU-UWVGGRQHSA-N 1 0 192.306 2.314 10 30 AEEERO C[C@H]([NH2+]CC1(C#N)CC1)[C@H]1CC1(C)C 379599598 346526499 /nfs/dbraw/zinc/52/64/99/346526499.db2.gz JULAYYSDHQKTFU-VHSXEESVSA-N 1 0 192.306 2.314 10 30 AEEERO C[C@@H]([NH2+]CC1(C#N)CC1)[C@H]1CC1(C)C 379599596 346526654 /nfs/dbraw/zinc/52/66/54/346526654.db2.gz JULAYYSDHQKTFU-NXEZZACHSA-N 1 0 192.306 2.314 10 30 AEEERO N#CCCC[NH2+][C@@H]1CC2CCC1CC2 379621637 346527162 /nfs/dbraw/zinc/52/71/62/346527162.db2.gz GCDNVFALPMLQPA-HTAVTVPLSA-N 1 0 192.306 2.458 10 30 AEEERO C[C@@H]([NH2+]CC1(C#N)CC1)[C@@H]1CC1(C)C 379599599 346527212 /nfs/dbraw/zinc/52/72/12/346527212.db2.gz JULAYYSDHQKTFU-ZJUUUORDSA-N 1 0 192.306 2.314 10 30 AEEERO N#CCCC[NH2+][C@H]1CC2CCC1CC2 379621638 346527985 /nfs/dbraw/zinc/52/79/85/346527985.db2.gz GCDNVFALPMLQPA-MCIGGMRASA-N 1 0 192.306 2.458 10 30 AEEERO C[C@H](C#N)C[NH2+][C@H]1CC[C@@H]1C1CCC1 379631720 346527994 /nfs/dbraw/zinc/52/79/94/346527994.db2.gz ODLSRWHQGXMUSG-JLLWLGSASA-N 1 0 192.306 2.314 10 30 AEEERO CC(C)(CCC#N)C[NH2+]CC1(F)CC1 379641110 346528064 /nfs/dbraw/zinc/52/80/64/346528064.db2.gz VAAHLCXXYFZNHZ-UHFFFAOYSA-N 1 0 198.285 2.408 10 30 AEEERO C[C@@H](CC#N)[NH2+]CC12CCC(CC1)C2 379640335 346528135 /nfs/dbraw/zinc/52/81/35/346528135.db2.gz UKMCBUXPSHYBJK-UNXYVOJBSA-N 1 0 192.306 2.458 10 30 AEEERO N#CC1CCC(C[NH2+]CC2CC2)CC1 379636621 346528201 /nfs/dbraw/zinc/52/82/01/346528201.db2.gz RJBOZFYUMRQPMM-UHFFFAOYSA-N 1 0 192.306 2.316 10 30 AEEERO C=C(C)CC[NH2+]Cc1oc(C)nc1C 381837382 346529668 /nfs/dbraw/zinc/52/96/68/346529668.db2.gz AULDDFXXORLUPD-UHFFFAOYSA-N 1 0 194.278 2.347 10 30 AEEERO C[C@@H]1C[C@@H](C)[NH+]1CCCCC#N 381864104 346530643 /nfs/dbraw/zinc/53/06/43/346530643.db2.gz SMSIDQQSXJKQBC-NXEZZACHSA-N 1 0 166.268 2.163 10 30 AEEERO C[C@H]1C[C@H](C)[NH+]1CCCCC#N 381864106 346530944 /nfs/dbraw/zinc/53/09/44/346530944.db2.gz SMSIDQQSXJKQBC-UWVGGRQHSA-N 1 0 166.268 2.163 10 30 AEEERO C[C@H]1C[C@@H](C)[N@@H+]1CCCCC#N 381864089 346530954 /nfs/dbraw/zinc/53/09/54/346530954.db2.gz SMSIDQQSXJKQBC-AOOOYVTPSA-N 1 0 166.268 2.163 10 30 AEEERO C#CC[N@@H+](C)[C@H]1C=CCCCCC1 382006568 346531286 /nfs/dbraw/zinc/53/12/86/346531286.db2.gz BFSHSUSLISHYLV-LBPRGKRZSA-N 1 0 177.291 2.440 10 30 AEEERO C#CC[N@@H+](C)[C@@H]1C=CCCCCC1 382006561 346531550 /nfs/dbraw/zinc/53/15/50/346531550.db2.gz BFSHSUSLISHYLV-GFCCVEGCSA-N 1 0 177.291 2.440 10 30 AEEERO c1ccn([NH+]=C2CCCSC2)c1 382152183 346533345 /nfs/dbraw/zinc/53/33/45/346533345.db2.gz PXOQNKCYJACNNE-UHFFFAOYSA-N 1 0 180.276 2.219 10 30 AEEERO CC(C)C1([NH2+]CCCC#N)CC1 382181277 346533365 /nfs/dbraw/zinc/53/33/65/346533365.db2.gz ZLHMKGJURLRNKG-UHFFFAOYSA-N 1 0 166.268 2.068 10 30 AEEERO CC(C)C[NH2+][C@H]1CC[C@@H](CC#N)C1 382293526 346533875 /nfs/dbraw/zinc/53/38/75/346533875.db2.gz LMCOXTLLLMDETJ-QWRGUYRKSA-N 1 0 180.295 2.314 10 30 AEEERO C[C@H]1[C@H](C)C[N@@H+]1CCCCC#N 382406802 346534924 /nfs/dbraw/zinc/53/49/24/346534924.db2.gz SGMOWGJWJPOPHP-ZJUUUORDSA-N 1 0 166.268 2.020 10 30 AEEERO C[C@@H]1C[N@H+](CCCCC#N)[C@@H]1C 382406799 346534946 /nfs/dbraw/zinc/53/49/46/346534946.db2.gz SGMOWGJWJPOPHP-NXEZZACHSA-N 1 0 166.268 2.020 10 30 AEEERO C[C@H]1C[N@H+](CCCCC#N)[C@@H]1C 382406801 346534979 /nfs/dbraw/zinc/53/49/79/346534979.db2.gz SGMOWGJWJPOPHP-VHSXEESVSA-N 1 0 166.268 2.020 10 30 AEEERO C[C@H]1C[N@H+](CCCCC#N)[C@H]1C 382406800 346535006 /nfs/dbraw/zinc/53/50/06/346535006.db2.gz SGMOWGJWJPOPHP-UWVGGRQHSA-N 1 0 166.268 2.020 10 30 AEEERO C=CCC[C@H](C)[NH2+][C@@H]1C[C@H](C)O[C@@H]1C 384652715 346538152 /nfs/dbraw/zinc/53/81/52/346538152.db2.gz CGEJFOJAOCXLKB-NNYUYHANSA-N 1 0 197.322 2.497 10 30 AEEERO C=CCC[C@H](C)[NH2+][C@@H]1C[C@@H](C)O[C@H]1C 384652717 346538279 /nfs/dbraw/zinc/53/82/79/346538279.db2.gz CGEJFOJAOCXLKB-WHOHXGKFSA-N 1 0 197.322 2.497 10 30 AEEERO C=CCC[C@H](C)[NH2+][C@@H]1C[C@H](C)O[C@H]1C 384652712 346538390 /nfs/dbraw/zinc/53/83/90/346538390.db2.gz CGEJFOJAOCXLKB-FIQHERPVSA-N 1 0 197.322 2.497 10 30 AEEERO C=CCC[C@H](C)[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C 384652714 346538607 /nfs/dbraw/zinc/53/86/07/346538607.db2.gz CGEJFOJAOCXLKB-IRCOFANPSA-N 1 0 197.322 2.497 10 30 AEEERO CC/C=C\CNC1=[NH+]CCCC1 384865390 346540292 /nfs/dbraw/zinc/54/02/92/346540292.db2.gz FEYBNLHHAKRMHP-HYXAFXHYSA-N 1 0 166.268 2.125 10 30 AEEERO C=CC(C)(C)C[NH2+]Cc1cc(C)no1 384907648 346540760 /nfs/dbraw/zinc/54/07/60/346540760.db2.gz AVUGDRIXTQZYEO-UHFFFAOYSA-N 1 0 194.278 2.285 10 30 AEEERO C=C(C)CC[NH2+][C@H]1CCC[C@@H]1C#N 387440440 346545066 /nfs/dbraw/zinc/54/50/66/346545066.db2.gz PLXNMRGLWFXQGT-MNOVXSKESA-N 1 0 178.279 2.234 10 30 AEEERO C=C(C)CC[NH2+][C@H]1CCC[C@H]1C#N 387440441 346545253 /nfs/dbraw/zinc/54/52/53/346545253.db2.gz PLXNMRGLWFXQGT-QWRGUYRKSA-N 1 0 178.279 2.234 10 30 AEEERO C=C(C)CC[NH2+][C@@H]1CCC[C@H]1C#N 387440443 346545282 /nfs/dbraw/zinc/54/52/82/346545282.db2.gz PLXNMRGLWFXQGT-WDEREUQCSA-N 1 0 178.279 2.234 10 30 AEEERO C=CCCC[N@@H+](C)CCC=C 388114104 346546706 /nfs/dbraw/zinc/54/67/06/346546706.db2.gz FFPUFNDQUGTXEB-UHFFFAOYSA-N 1 0 153.269 2.461 10 30 AEEERO C=CC[N@@H+](C)[C@@H](CC)CSC 388140253 346547064 /nfs/dbraw/zinc/54/70/64/346547064.db2.gz BLTFDAXWBYUNDK-VIFPVBQESA-N 1 0 173.325 2.246 10 30 AEEERO N#C[C@H]1CCC[C@H]1[NH2+]CCCCF 388155821 346547106 /nfs/dbraw/zinc/54/71/06/346547106.db2.gz BCCIYTYVIJPSFV-NXEZZACHSA-N 1 0 184.258 2.018 10 30 AEEERO C=CC[N@@H+](C)[C@H](CC)CSC 388140252 346547132 /nfs/dbraw/zinc/54/71/32/346547132.db2.gz BLTFDAXWBYUNDK-SECBINFHSA-N 1 0 173.325 2.246 10 30 AEEERO N#C[C@H]1CCC[C@@H]1[NH2+]CCCCF 388155841 346547209 /nfs/dbraw/zinc/54/72/09/346547209.db2.gz BCCIYTYVIJPSFV-ZJUUUORDSA-N 1 0 184.258 2.018 10 30 AEEERO N#C[C@@H]1CCC[C@H]1[NH2+]CCCCF 388155839 346547406 /nfs/dbraw/zinc/54/74/06/346547406.db2.gz BCCIYTYVIJPSFV-VHSXEESVSA-N 1 0 184.258 2.018 10 30 AEEERO N#C[C@@H]1CCC[C@@H]1[NH2+]CCCCF 388155822 346547503 /nfs/dbraw/zinc/54/75/03/346547503.db2.gz BCCIYTYVIJPSFV-UWVGGRQHSA-N 1 0 184.258 2.018 10 30 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187.267 2.212 10 30 AEEERO C=C(C)[C@@H]([NH2+]C)C1CC(C)C1 575485716 352332075 /nfs/dbraw/zinc/33/20/75/352332075.db2.gz AKOMGTVLOAIGDR-UDNWOFFPSA-N 1 0 153.269 2.197 10 30 AEEERO CC#CC[C@H]([NH3+])C1CC2(CCC2)C1 575485696 352332110 /nfs/dbraw/zinc/33/21/10/352332110.db2.gz AFIPDZDNYBEACJ-NSHDSACASA-N 1 0 177.291 2.307 10 30 AEEERO C=C(C)[C@H]([NH2+]C)C1CC(C)C1 575485711 352332148 /nfs/dbraw/zinc/33/21/48/352332148.db2.gz AKOMGTVLOAIGDR-RTBKNWGFSA-N 1 0 153.269 2.197 10 30 AEEERO CC#CC[C@@H]([NH3+])C1CC2(CCC2)C1 575485694 352332321 /nfs/dbraw/zinc/33/23/21/352332321.db2.gz AFIPDZDNYBEACJ-LLVKDONJSA-N 1 0 177.291 2.307 10 30 AEEERO C=C(C)C[C@H]([NH3+])C1CC(C)C1 575486631 352337875 /nfs/dbraw/zinc/33/78/75/352337875.db2.gz KAOSZJFFDCRZIB-RTBKNWGFSA-N 1 0 153.269 2.326 10 30 AEEERO C=C(C)C[C@@H]([NH3+])C1CC(C)C1 575486633 352338054 /nfs/dbraw/zinc/33/80/54/352338054.db2.gz KAOSZJFFDCRZIB-UDNWOFFPSA-N 1 0 153.269 2.326 10 30 AEEERO C=C(C)[C@H]([NH3+])C1CC2(CCC2)C1 575487160 352341106 /nfs/dbraw/zinc/34/11/06/352341106.db2.gz QGXBRTGOJYSIFP-JTQLQIEISA-N 1 0 165.280 2.470 10 30 AEEERO C=C(C)[C@@H]([NH3+])C1CC2(CCC2)C1 575487161 352341176 /nfs/dbraw/zinc/34/11/76/352341176.db2.gz QGXBRTGOJYSIFP-SNVBAGLBSA-N 1 0 165.280 2.470 10 30 AEEERO C=C[C@H]([NH3+])C1CC2(CCC2)C1 575487590 352344115 /nfs/dbraw/zinc/34/41/15/352344115.db2.gz VBHUVIRAIKISHY-VIFPVBQESA-N 1 0 151.253 2.080 10 30 AEEERO C=C[C@@H]([NH3+])C1CC2(CCC2)C1 575487586 352344270 /nfs/dbraw/zinc/34/42/70/352344270.db2.gz VBHUVIRAIKISHY-SECBINFHSA-N 1 0 151.253 2.080 10 30 AEEERO C#CCCC1([NH3+])CC2(CCC2)C1 575490186 352356107 /nfs/dbraw/zinc/35/61/07/352356107.db2.gz ALZUPNXXKCGRMX-UHFFFAOYSA-N 1 0 163.264 2.061 10 30 AEEERO CC#CCCC1([NH3+])CC2(CCC2)C1 575490327 352356881 /nfs/dbraw/zinc/35/68/81/352356881.db2.gz CTSAKGYDVDJBBF-UHFFFAOYSA-N 1 0 177.291 2.452 10 30 AEEERO CC#CCC1([NH3+])CC2(CCC2)C1 575490930 352359354 /nfs/dbraw/zinc/35/93/54/352359354.db2.gz OZUWQGGYLTXXDI-UHFFFAOYSA-N 1 0 163.264 2.061 10 30 AEEERO C=C(C)CC1([NH3+])CC(C)C1 575490859 352359520 /nfs/dbraw/zinc/35/95/20/352359520.db2.gz NHZKFYBQCUZNEF-UHFFFAOYSA-N 1 0 139.242 2.080 10 30 AEEERO C=C(C)CCC1([NH3+])CC(C)C1 575491276 352361445 /nfs/dbraw/zinc/36/14/45/352361445.db2.gz GNKYWERZIMAOCI-UHFFFAOYSA-N 1 0 153.269 2.470 10 30 AEEERO C=C[C@H](C)C1([NH3+])CC2(CCC2)C1 575491719 352363501 /nfs/dbraw/zinc/36/35/01/352363501.db2.gz ZPOGKHPUMMSHKI-VIFPVBQESA-N 1 0 165.280 2.470 10 30 AEEERO C=C[C@@H](C)C1([NH3+])CC2(CCC2)C1 575491718 352363782 /nfs/dbraw/zinc/36/37/82/352363782.db2.gz ZPOGKHPUMMSHKI-SECBINFHSA-N 1 0 165.280 2.470 10 30 AEEERO C=C(CC)CC1([NH3+])CC(C)C1 575491915 352364954 /nfs/dbraw/zinc/36/49/54/352364954.db2.gz QJIPYYHCYFBBBP-UHFFFAOYSA-N 1 0 153.269 2.470 10 30 AEEERO CC1CC(CNC2=[NH+][C@H](C)CS2)C1 575492200 352366208 /nfs/dbraw/zinc/36/62/08/352366208.db2.gz WNLZVPSBTZUVMX-QJAFJHJLSA-N 1 0 198.335 2.113 10 30 AEEERO CC1CC(CNC2=[NH+][C@@H](C)CS2)C1 575492199 352366271 /nfs/dbraw/zinc/36/62/71/352366271.db2.gz WNLZVPSBTZUVMX-MGURRDGZSA-N 1 0 198.335 2.113 10 30 AEEERO SC[C@H]1CCC2(CCCC2)C[NH2+]1 575493759 352374095 /nfs/dbraw/zinc/37/40/95/352374095.db2.gz UIXMYSDHMADYIB-SECBINFHSA-N 1 0 185.336 2.229 10 30 AEEERO SC[C@@H]1CCC2(CCCC2)C[NH2+]1 575493766 352374451 /nfs/dbraw/zinc/37/44/51/352374451.db2.gz UIXMYSDHMADYIB-VIFPVBQESA-N 1 0 185.336 2.229 10 30 AEEERO C=C(C)C(=O)[C@]1(C)CCCC[C@H]1[NH3+] 575495906 352383298 /nfs/dbraw/zinc/38/32/98/352383298.db2.gz FBZGERKDRDBATA-MWLCHTKSSA-N 1 0 181.279 2.039 10 30 AEEERO C=C(C)C(=O)[C@@]1(C)CCCC[C@H]1[NH3+] 575495905 352383380 /nfs/dbraw/zinc/38/33/80/352383380.db2.gz FBZGERKDRDBATA-KOLCDFICSA-N 1 0 181.279 2.039 10 30 AEEERO C=C(C)C(=O)[C@@]1(C)CCCC[C@@H]1[NH3+] 575495907 352383431 /nfs/dbraw/zinc/38/34/31/352383431.db2.gz FBZGERKDRDBATA-ONGXEEELSA-N 1 0 181.279 2.039 10 30 AEEERO C=C(C)C(=O)[C@]1(C)CCCC[C@@H]1[NH3+] 575495904 352383481 /nfs/dbraw/zinc/38/34/81/352383481.db2.gz FBZGERKDRDBATA-GXSJLCMTSA-N 1 0 181.279 2.039 10 30 AEEERO CC#CC[C@H]([NH3+])[C@@H]1CCC[C@H]2C[C@H]21 575496199 352384650 /nfs/dbraw/zinc/38/46/50/352384650.db2.gz LAKYMBGQQQJGIH-QCNOEVLYSA-N 1 0 177.291 2.163 10 30 AEEERO CC#CC[C@H]([NH3+])[C@@H]1CCC[C@@H]2C[C@@H]21 575496201 352384723 /nfs/dbraw/zinc/38/47/23/352384723.db2.gz LAKYMBGQQQJGIH-WYUUTHIRSA-N 1 0 177.291 2.163 10 30 AEEERO C=C(C)[C@H]([NH3+])[C@@H]1CCC[C@H]2C[C@H]21 575496275 352385355 /nfs/dbraw/zinc/38/53/55/352385355.db2.gz LGTVRTIQWIVLPP-ZDCRXTMVSA-N 1 0 165.280 2.326 10 30 AEEERO C=C(C)[C@H]([NH3+])[C@@H]1CCC[C@@H]2C[C@@H]21 575496276 352385495 /nfs/dbraw/zinc/38/54/95/352385495.db2.gz LGTVRTIQWIVLPP-ZNSHCXBVSA-N 1 0 165.280 2.326 10 30 AEEERO C=CC[NH2+]C1CC2(CCC2)C1 575499756 352402851 /nfs/dbraw/zinc/40/28/51/352402851.db2.gz POOFKFZDNBVSGI-UHFFFAOYSA-N 1 0 151.253 2.095 10 30 AEEERO C=C(Cl)C[NH2+][C@H]1C=CCC1 575503136 352420975 /nfs/dbraw/zinc/42/09/75/352420975.db2.gz CVZQYEHCPHBDNW-QMMMGPOBSA-N 1 0 157.644 2.047 10 30 AEEERO C=C(Cl)C[NH2+][C@@H]1C=CCC1 575503135 352421023 /nfs/dbraw/zinc/42/10/23/352421023.db2.gz CVZQYEHCPHBDNW-MRVPVSSYSA-N 1 0 157.644 2.047 10 30 AEEERO C=C(C)[C@@H]([NH3+])[C@H](C)C1CCC1 575504666 352428193 /nfs/dbraw/zinc/42/81/93/352428193.db2.gz MHELXWFRWPUNNL-PSASIEDQSA-N 1 0 153.269 2.326 10 30 AEEERO C=C(C)[C@H]([NH3+])[C@@H](C)C1CCC1 575504669 352428265 /nfs/dbraw/zinc/42/82/65/352428265.db2.gz MHELXWFRWPUNNL-WPRPVWTQSA-N 1 0 153.269 2.326 10 30 AEEERO C=C(C)[C@@H]([NH3+])[C@@H](C)C1CCC1 575504668 352428325 /nfs/dbraw/zinc/42/83/25/352428325.db2.gz MHELXWFRWPUNNL-WCBMZHEXSA-N 1 0 153.269 2.326 10 30 AEEERO C=C(C)[C@H]([NH3+])[C@H](C)C1CCC1 575504667 352428550 /nfs/dbraw/zinc/42/85/50/352428550.db2.gz MHELXWFRWPUNNL-SCZZXKLOSA-N 1 0 153.269 2.326 10 30 AEEERO C[C@@H](C=O)[N@@H+]1CCCC(C)(C)CC1 575508115 352445478 /nfs/dbraw/zinc/44/54/78/352445478.db2.gz HCWYFTPHSUWWJN-JTQLQIEISA-N 1 0 183.295 2.086 10 30 AEEERO C[C@H](C=O)[N@@H+]1CCCC(C)(C)CC1 575508145 352445531 /nfs/dbraw/zinc/44/55/31/352445531.db2.gz HCWYFTPHSUWWJN-SNVBAGLBSA-N 1 0 183.295 2.086 10 30 AEEERO CC(C)c1cccc(C#CC[NH3+])c1 575510181 352458845 /nfs/dbraw/zinc/45/88/45/352458845.db2.gz XKRQCXYDAULPGF-UHFFFAOYSA-N 1 0 173.259 2.120 10 30 AEEERO C#C[C@H](C)[NH2+][C@H]1CCCC2(CC2)C1 575511082 352463610 /nfs/dbraw/zinc/46/36/10/352463610.db2.gz AXAWNJKABOLYGV-QWRGUYRKSA-N 1 0 177.291 2.321 10 30 AEEERO C#C[C@@H](C)[NH2+][C@H]1CCCC2(CC2)C1 575511081 352463668 /nfs/dbraw/zinc/46/36/68/352463668.db2.gz AXAWNJKABOLYGV-MNOVXSKESA-N 1 0 177.291 2.321 10 30 AEEERO C#C[C@H](C)[NH2+][C@@H]1CCCC2(CC2)C1 575511084 352463876 /nfs/dbraw/zinc/46/38/76/352463876.db2.gz AXAWNJKABOLYGV-WDEREUQCSA-N 1 0 177.291 2.321 10 30 AEEERO C#C[C@@H](C)[NH2+][C@@H]1CCCC2(CC2)C1 575511075 352463971 /nfs/dbraw/zinc/46/39/71/352463971.db2.gz AXAWNJKABOLYGV-GHMZBOCLSA-N 1 0 177.291 2.321 10 30 AEEERO CC#C/C=C1/CC[NH2+]C(C)(C)C1 575511096 352463994 /nfs/dbraw/zinc/46/39/94/352463994.db2.gz AYGKMHVPCNMSOR-POHAHGRESA-N 1 0 163.264 2.098 10 30 AEEERO C#CCC/C=C1\CC[NH2+]C(C)(C)C1 575511388 352466278 /nfs/dbraw/zinc/46/62/78/352466278.db2.gz DKICLQKOEFMPSU-YRNVUSSQSA-N 1 0 177.291 2.488 10 30 AEEERO C#CCC/C=C1/CC[NH2+]C(C)(C)C1 575511378 352466311 /nfs/dbraw/zinc/46/63/11/352466311.db2.gz DKICLQKOEFMPSU-XFFZJAGNSA-N 1 0 177.291 2.488 10 30 AEEERO C[C@@H](C=O)[NH+]1CCCCCCCC1 575511640 352467574 /nfs/dbraw/zinc/46/75/74/352467574.db2.gz UKANZMUKTVMKPS-NSHDSACASA-N 1 0 183.295 2.230 10 30 AEEERO C[C@H](C=O)[NH+]1CCCCCCCC1 575511639 352467657 /nfs/dbraw/zinc/46/76/57/352467657.db2.gz UKANZMUKTVMKPS-LLVKDONJSA-N 1 0 183.295 2.230 10 30 AEEERO CC#CC[NH2+][C@@H]1CCCC2(CC2)C1 575511730 352468004 /nfs/dbraw/zinc/46/80/04/352468004.db2.gz HJRIMWOXAZFONG-LLVKDONJSA-N 1 0 177.291 2.322 10 30 AEEERO CC#CC[NH2+][C@H]1CCCC2(CC2)C1 575511731 352468131 /nfs/dbraw/zinc/46/81/31/352468131.db2.gz HJRIMWOXAZFONG-NSHDSACASA-N 1 0 177.291 2.322 10 30 AEEERO C=C(C)/C=C1\CC[NH2+][C@@H](C)C1 575512164 352470955 /nfs/dbraw/zinc/47/09/55/352470955.db2.gz LKCOVPJCTCRTSB-CMWXKVOJSA-N 1 0 151.253 2.261 10 30 AEEERO C=C(C)/C=C1/CC[NH2+][C@@H](C)C1 575512165 352471070 /nfs/dbraw/zinc/47/10/70/352471070.db2.gz LKCOVPJCTCRTSB-LKJZUNMESA-N 1 0 151.253 2.261 10 30 AEEERO C=C(C)/C=C1/CC[NH2+][C@H](C)C1 575512249 352471389 /nfs/dbraw/zinc/47/13/89/352471389.db2.gz LKCOVPJCTCRTSB-WPVMNKCKSA-N 1 0 151.253 2.261 10 30 AEEERO C#C[C@H]([NH2+]C)C1CCC2(CC1)CC2 575512332 352471414 /nfs/dbraw/zinc/47/14/14/352471414.db2.gz NHNCBDKSNAOTPA-NSHDSACASA-N 1 0 177.291 2.178 10 30 AEEERO C#C[C@@H]([NH2+]C)[C@@H]1CCCC2(CC2)C1 575512308 352471470 /nfs/dbraw/zinc/47/14/70/352471470.db2.gz MQYVNRVSOZPIIQ-GHMZBOCLSA-N 1 0 177.291 2.178 10 30 AEEERO C#C[C@@H]([NH2+]C)[C@H]1CCCC2(CC2)C1 575512311 352471476 /nfs/dbraw/zinc/47/14/76/352471476.db2.gz MQYVNRVSOZPIIQ-WDEREUQCSA-N 1 0 177.291 2.178 10 30 AEEERO C#C[C@H]([NH2+]C)[C@@H]1CCCC2(CC2)C1 575512309 352471495 /nfs/dbraw/zinc/47/14/95/352471495.db2.gz MQYVNRVSOZPIIQ-MNOVXSKESA-N 1 0 177.291 2.178 10 30 AEEERO C#C[C@@H]([NH2+]C)C1CCC2(CC1)CC2 575512331 352471600 /nfs/dbraw/zinc/47/16/00/352471600.db2.gz NHNCBDKSNAOTPA-LLVKDONJSA-N 1 0 177.291 2.178 10 30 AEEERO C=C(C)/C=C1\CC[NH2+][C@H](C)C1 575512250 352471628 /nfs/dbraw/zinc/47/16/28/352471628.db2.gz LKCOVPJCTCRTSB-ZFZMKPAXSA-N 1 0 151.253 2.261 10 30 AEEERO C#C[C@H]([NH2+]C)[C@H]1CCCC2(CC2)C1 575512310 352471685 /nfs/dbraw/zinc/47/16/85/352471685.db2.gz MQYVNRVSOZPIIQ-QWRGUYRKSA-N 1 0 177.291 2.178 10 30 AEEERO C#CC/C=C1/CC[NH2+]C(C)(C)C1 575512360 352472110 /nfs/dbraw/zinc/47/21/10/352472110.db2.gz OBNPNRJZVQIXBU-POHAHGRESA-N 1 0 163.264 2.098 10 30 AEEERO C#CC/C=C1\CC[NH2+]C(C)(C)C1 575512361 352472268 /nfs/dbraw/zinc/47/22/68/352472268.db2.gz OBNPNRJZVQIXBU-UXBLZVDNSA-N 1 0 163.264 2.098 10 30 AEEERO C=CC/C=C1\CC[NH2+][C@H](C)C1 575512358 352472174 /nfs/dbraw/zinc/47/21/74/352472174.db2.gz OBHRJRYGRFMYOO-RAJVOEEQSA-N 1 0 151.253 2.261 10 30 AEEERO C=CC/C=C1\CC[NH2+][C@@H](C)C1 575512359 352472535 /nfs/dbraw/zinc/47/25/35/352472535.db2.gz OBHRJRYGRFMYOO-UMYFRRCYSA-N 1 0 151.253 2.261 10 30 AEEERO C=C[C@@H]([NH3+])[C@H]1CCCC2(CC2)C1 575512501 352472783 /nfs/dbraw/zinc/47/27/83/352472783.db2.gz PJCKHKFAMKLAAX-VHSXEESVSA-N 1 0 165.280 2.470 10 30 AEEERO C=C[C@@H]([NH3+])[C@@H]1CCCC2(CC2)C1 575512499 352473016 /nfs/dbraw/zinc/47/30/16/352473016.db2.gz PJCKHKFAMKLAAX-NXEZZACHSA-N 1 0 165.280 2.470 10 30 AEEERO C=C[C@H]([NH3+])[C@H]1CCCC2(CC2)C1 575512500 352473119 /nfs/dbraw/zinc/47/31/19/352473119.db2.gz PJCKHKFAMKLAAX-UWVGGRQHSA-N 1 0 165.280 2.470 10 30 AEEERO C#CC[C@@H]([NH3+])C1CCC2(CC1)CC2 575512689 352473589 /nfs/dbraw/zinc/47/35/89/352473589.db2.gz SRNRFMVMZHUAII-LLVKDONJSA-N 1 0 177.291 2.307 10 30 AEEERO CC#CC/C=C1/CC[NH2+]C(C)(C)C1 575512641 352473652 /nfs/dbraw/zinc/47/36/52/352473652.db2.gz RSCPZWQAEXSYLB-XFFZJAGNSA-N 1 0 177.291 2.488 10 30 AEEERO C=C[C@@H]([NH3+])C1CCC2(CC1)CC2 575512703 352473717 /nfs/dbraw/zinc/47/37/17/352473717.db2.gz 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2.181 10 30 AEEERO C[C@]12CCCC[C@@H]1C[N@@H+]2CCS 575548854 352632918 /nfs/dbraw/zinc/63/29/18/352632918.db2.gz GLJJANWJUFNXCK-ZJUUUORDSA-N 1 0 185.336 2.181 10 30 AEEERO FC1(F)CCC[N@H+](CCS)CC1 575549164 352633661 /nfs/dbraw/zinc/63/36/61/352633661.db2.gz IGGLANSHTZPJKL-UHFFFAOYSA-N 1 0 195.278 2.037 10 30 AEEERO CC1C[C@@H]2CC[C@H](C1)[N@@H+]2CCS 575553202 352647594 /nfs/dbraw/zinc/64/75/94/352647594.db2.gz VJFCCCYWKMHCEA-PBINXNQUSA-N 1 0 185.336 2.179 10 30 AEEERO C=CC[C@@H]([NH3+])[C@@]1(C)CC1(C)C 575553726 352649691 /nfs/dbraw/zinc/64/96/91/352649691.db2.gz GBYBKTPSXXLMHX-PSASIEDQSA-N 1 0 153.269 2.326 10 30 AEEERO C=CC[C@@H]([NH3+])[C@]1(C)CC1(C)C 575553727 352649764 /nfs/dbraw/zinc/64/97/64/352649764.db2.gz GBYBKTPSXXLMHX-SCZZXKLOSA-N 1 0 153.269 2.326 10 30 AEEERO C=CC[C@H]([NH3+])[C@@]1(C)CC1(C)C 575553728 352649893 /nfs/dbraw/zinc/64/98/93/352649893.db2.gz GBYBKTPSXXLMHX-WCBMZHEXSA-N 1 0 153.269 2.326 10 30 AEEERO C=CC[C@H]([NH3+])[C@]1(C)CC1(C)C 575553729 352649898 /nfs/dbraw/zinc/64/98/98/352649898.db2.gz GBYBKTPSXXLMHX-WPRPVWTQSA-N 1 0 153.269 2.326 10 30 AEEERO CC#CC[C@H]([NH3+])[C@]1(C)CC1(C)C 575554021 352651158 /nfs/dbraw/zinc/65/11/58/352651158.db2.gz MKDOSNOFIXOCJR-ONGXEEELSA-N 1 0 165.280 2.163 10 30 AEEERO CC#CC[C@@H]([NH3+])[C@@]1(C)CC1(C)C 575554020 352651222 /nfs/dbraw/zinc/65/12/22/352651222.db2.gz MKDOSNOFIXOCJR-MWLCHTKSSA-N 1 0 165.280 2.163 10 30 AEEERO CSc1ccc(C#C[C@@H](C)[NH3+])cc1 575554559 352652924 /nfs/dbraw/zinc/65/29/24/352652924.db2.gz FQPLJMHSSBUVOJ-SECBINFHSA-N 1 0 191.299 2.107 10 30 AEEERO CSc1ccc(C#C[C@H](C)[NH3+])cc1 575554560 352653134 /nfs/dbraw/zinc/65/31/34/352653134.db2.gz FQPLJMHSSBUVOJ-VIFPVBQESA-N 1 0 191.299 2.107 10 30 AEEERO C=C(C)[C@H]([NH3+])[C@@]1(C)CC1(C)C 575554736 352653707 /nfs/dbraw/zinc/65/37/07/352653707.db2.gz TXOCUCRPPBSTID-WCBMZHEXSA-N 1 0 153.269 2.326 10 30 AEEERO C=C(C)[C@H]([NH3+])[C@]1(C)CC1(C)C 575554738 352653857 /nfs/dbraw/zinc/65/38/57/352653857.db2.gz TXOCUCRPPBSTID-WPRPVWTQSA-N 1 0 153.269 2.326 10 30 AEEERO C=C(C)[C@@H]([NH3+])[C@@]1(C)CC1(C)C 575554734 352653880 /nfs/dbraw/zinc/65/38/80/352653880.db2.gz TXOCUCRPPBSTID-PSASIEDQSA-N 1 0 153.269 2.326 10 30 AEEERO C=C(C)[C@@H]([NH3+])[C@]1(C)CC1(C)C 575554735 352653927 /nfs/dbraw/zinc/65/39/27/352653927.db2.gz TXOCUCRPPBSTID-SCZZXKLOSA-N 1 0 153.269 2.326 10 30 AEEERO C[NH2+]CC#Cc1ccc(C)cc1Cl 575556530 352660313 /nfs/dbraw/zinc/66/03/13/352660313.db2.gz CRQBSMDASHRTIW-UHFFFAOYSA-N 1 0 193.677 2.219 10 30 AEEERO C=C(Cl)C[C@]1(C#N)CCC[NH2+]C1 575556971 352661850 /nfs/dbraw/zinc/66/18/50/352661850.db2.gz AGEHBHPUFIQOMK-VIFPVBQESA-N 1 0 184.670 2.022 10 30 AEEERO CC(C)(C=O)[N@@H+]1CC(C)(C)C1(C)C 575557438 352664421 /nfs/dbraw/zinc/66/44/21/352664421.db2.gz UIYMBGGUEALWML-UHFFFAOYSA-N 1 0 183.295 2.084 10 30 AEEERO C=C(Cl)C[C@@H]([NH3+])C1CCC1 575557811 352665929 /nfs/dbraw/zinc/66/59/29/352665929.db2.gz KKTGOCHLDZDTAJ-MRVPVSSYSA-N 1 0 159.660 2.256 10 30 AEEERO C=C(Cl)C[C@H]([NH3+])C1CCC1 575557813 352665943 /nfs/dbraw/zinc/66/59/43/352665943.db2.gz KKTGOCHLDZDTAJ-QMMMGPOBSA-N 1 0 159.660 2.256 10 30 AEEERO C=C(Cl)C[C@]1(C)CCC[NH2+]1 575557930 352666459 /nfs/dbraw/zinc/66/64/59/352666459.db2.gz KUQKIWLUFBMJJD-QMMMGPOBSA-N 1 0 159.660 2.271 10 30 AEEERO C=C(Cl)C[C@@]1(C)CCC[NH2+]1 575557922 352666581 /nfs/dbraw/zinc/66/65/81/352666581.db2.gz KUQKIWLUFBMJJD-MRVPVSSYSA-N 1 0 159.660 2.271 10 30 AEEERO CSc1ccc(C#CCC[NH3+])cc1 575558065 352667231 /nfs/dbraw/zinc/66/72/31/352667231.db2.gz VZRFBGMZCKANGD-UHFFFAOYSA-N 1 0 191.299 2.109 10 30 AEEERO C=C(Cl)C[C@H]([NH3+])C(C)C 575559427 352672971 /nfs/dbraw/zinc/67/29/71/352672971.db2.gz OJAUIQYNYJGAGC-ZETCQYMHSA-N 1 0 147.649 2.112 10 30 AEEERO C=C(Cl)C[C@@H]([NH3+])C(C)C 575559425 352672994 /nfs/dbraw/zinc/67/29/94/352672994.db2.gz OJAUIQYNYJGAGC-SSDOTTSWSA-N 1 0 147.649 2.112 10 30 AEEERO C=C(Cl)C[C@@H]([NH3+])C1(C)CC1 575560462 352676416 /nfs/dbraw/zinc/67/64/16/352676416.db2.gz SOACCEIIQFYEEA-SSDOTTSWSA-N 1 0 159.660 2.256 10 30 AEEERO C=C(Cl)C[C@H]([NH3+])C1(C)CC1 575560463 352676540 /nfs/dbraw/zinc/67/65/40/352676540.db2.gz SOACCEIIQFYEEA-ZETCQYMHSA-N 1 0 159.660 2.256 10 30 AEEERO Cc1ccc(C#C[C@@H](C)[NH3+])c(Cl)c1 575560858 352678479 /nfs/dbraw/zinc/67/84/79/352678479.db2.gz WIVZRXAURFOWEZ-SECBINFHSA-N 1 0 193.677 2.347 10 30 AEEERO Cc1ccc(C#C[C@H](C)[NH3+])c(Cl)c1 575560859 352678633 /nfs/dbraw/zinc/67/86/33/352678633.db2.gz WIVZRXAURFOWEZ-VIFPVBQESA-N 1 0 193.677 2.347 10 30 AEEERO C=C(Cl)C[C@H]([NH3+])[C@H]1C[C@H]1C 575560977 352679201 /nfs/dbraw/zinc/67/92/01/352679201.db2.gz XOTFFELOJLQOFY-DTLFHODZSA-N 1 0 159.660 2.112 10 30 AEEERO C=C(Cl)C[C@H]([NH3+])[C@@H]1C[C@@H]1C 575560975 352679209 /nfs/dbraw/zinc/67/92/09/352679209.db2.gz XOTFFELOJLQOFY-ARDNSNSESA-N 1 0 159.660 2.112 10 30 AEEERO C=C(Cl)C[C@H]([NH3+])[C@@H]1C[C@H]1C 575560990 352679245 /nfs/dbraw/zinc/67/92/45/352679245.db2.gz XOTFFELOJLQOFY-NJUXHZRNSA-N 1 0 159.660 2.112 10 30 AEEERO C=C(Cl)C[C@H]([NH3+])[C@H]1C[C@@H]1C 575560987 352679253 /nfs/dbraw/zinc/67/92/53/352679253.db2.gz XOTFFELOJLQOFY-GEVIPFJHSA-N 1 0 159.660 2.112 10 30 AEEERO C=CCC[C@@]1([NH3+])CC1(C)C 575561138 352679808 /nfs/dbraw/zinc/67/98/08/352679808.db2.gz OGYSAXOOIBYKRB-SECBINFHSA-N 1 0 139.242 2.080 10 30 AEEERO C=CCC[C@]1([NH3+])CC1(C)C 575561140 352679886 /nfs/dbraw/zinc/67/98/86/352679886.db2.gz OGYSAXOOIBYKRB-VIFPVBQESA-N 1 0 139.242 2.080 10 30 AEEERO Cc1ccc(C#CCC[NH3+])c(Cl)c1 575561446 352681276 /nfs/dbraw/zinc/68/12/76/352681276.db2.gz ZDIPZWHCEYMURR-UHFFFAOYSA-N 1 0 193.677 2.349 10 30 AEEERO C=C(Cl)C[NH2+]C1(C)CC=CC1 575561492 352681271 /nfs/dbraw/zinc/68/12/71/352681271.db2.gz QVJZBKWQUQHGDT-UHFFFAOYSA-N 1 0 171.671 2.437 10 30 AEEERO C=C[C@H](C)[NH2+]C1(C)CC=CC1 575561746 352682506 /nfs/dbraw/zinc/68/25/06/352682506.db2.gz TZGWWTSAVUCNGS-VIFPVBQESA-N 1 0 151.253 2.259 10 30 AEEERO C=C[C@@H](C)[NH2+]C1(C)CC=CC1 575561745 352682799 /nfs/dbraw/zinc/68/27/99/352682799.db2.gz TZGWWTSAVUCNGS-SECBINFHSA-N 1 0 151.253 2.259 10 30 AEEERO C=C(C)C[NH2+]C1(C)CC=CC1 575561816 352683364 /nfs/dbraw/zinc/68/33/64/352683364.db2.gz VFJLDAVKLPDCEG-UHFFFAOYSA-N 1 0 151.253 2.261 10 30 AEEERO C=C[C@@H]([NH2+]C)[C@]1(C)CC1(C)C 575561989 352684093 /nfs/dbraw/zinc/68/40/93/352684093.db2.gz WWWVGTVMFWQUQU-SCZZXKLOSA-N 1 0 153.269 2.197 10 30 AEEERO C=C[C@@H]([NH2+]C)[C@@]1(C)CC1(C)C 575561988 352683929 /nfs/dbraw/zinc/68/39/29/352683929.db2.gz WWWVGTVMFWQUQU-PSASIEDQSA-N 1 0 153.269 2.197 10 30 AEEERO C=C(C)C[C@@]1([NH3+])CC1(C)C 575561926 352684017 /nfs/dbraw/zinc/68/40/17/352684017.db2.gz WYDXXNJRLDNQJD-SECBINFHSA-N 1 0 139.242 2.080 10 30 AEEERO C=C[C@H]([NH2+]C)[C@]1(C)CC1(C)C 575561991 352684035 /nfs/dbraw/zinc/68/40/35/352684035.db2.gz WWWVGTVMFWQUQU-WPRPVWTQSA-N 1 0 153.269 2.197 10 30 AEEERO C=C(C)C[C@]1([NH3+])CC1(C)C 575561928 352684181 /nfs/dbraw/zinc/68/41/81/352684181.db2.gz WYDXXNJRLDNQJD-VIFPVBQESA-N 1 0 139.242 2.080 10 30 AEEERO C=C[C@H]([NH2+]C)[C@@]1(C)CC1(C)C 575561990 352684186 /nfs/dbraw/zinc/68/41/86/352684186.db2.gz WWWVGTVMFWQUQU-WCBMZHEXSA-N 1 0 153.269 2.197 10 30 AEEERO CC(C)(C)[C@H]([NH3+])C#Cc1ccsc1 575562719 352687367 /nfs/dbraw/zinc/68/73/67/352687367.db2.gz BRMPYUPNVSTOKN-SNVBAGLBSA-N 1 0 193.315 2.473 10 30 AEEERO CC(C)(C)[C@@H]([NH3+])C#Cc1ccsc1 575562714 352687521 /nfs/dbraw/zinc/68/75/21/352687521.db2.gz BRMPYUPNVSTOKN-JTQLQIEISA-N 1 0 193.315 2.473 10 30 AEEERO C=C[C@H](C)[NH2+][C@]1(C)CC1(C)C 575562823 352687942 /nfs/dbraw/zinc/68/79/42/352687942.db2.gz FISKDNPANBFYTG-WCBMZHEXSA-N 1 0 153.269 2.339 10 30 AEEERO C=C[C@H](C)[NH2+][C@@]1(C)CC1(C)C 575562824 352688016 /nfs/dbraw/zinc/68/80/16/352688016.db2.gz FISKDNPANBFYTG-WPRPVWTQSA-N 1 0 153.269 2.339 10 30 AEEERO C=C[C@@H](C)[NH2+][C@@]1(C)CC1(C)C 575562822 352688163 /nfs/dbraw/zinc/68/81/63/352688163.db2.gz FISKDNPANBFYTG-SCZZXKLOSA-N 1 0 153.269 2.339 10 30 AEEERO C=C[C@@H](C)[NH2+][C@]1(C)CC1(C)C 575562821 352688312 /nfs/dbraw/zinc/68/83/12/352688312.db2.gz FISKDNPANBFYTG-PSASIEDQSA-N 1 0 153.269 2.339 10 30 AEEERO CC(C)(C)[C@H]([NH3+])C#Cc1ccco1 575563211 352689397 /nfs/dbraw/zinc/68/93/97/352689397.db2.gz IIYUZJXTXJPQLH-SNVBAGLBSA-N 1 0 177.247 2.005 10 30 AEEERO CC(C)(C)[C@@H]([NH3+])C#Cc1cccs1 575563184 352689499 /nfs/dbraw/zinc/68/94/99/352689499.db2.gz HNXPNFNHAMLSOW-JTQLQIEISA-N 1 0 193.315 2.473 10 30 AEEERO CC(C)(C)[C@@H]([NH3+])C#Cc1ccco1 575563209 352689563 /nfs/dbraw/zinc/68/95/63/352689563.db2.gz IIYUZJXTXJPQLH-JTQLQIEISA-N 1 0 177.247 2.005 10 30 AEEERO CC(C)(C)[C@H]([NH3+])C#Cc1cccs1 575563185 352689583 /nfs/dbraw/zinc/68/95/83/352689583.db2.gz HNXPNFNHAMLSOW-SNVBAGLBSA-N 1 0 193.315 2.473 10 30 AEEERO C=C(C)C[NH2+][C@]1(C)CC1(C)C 575563561 352691345 /nfs/dbraw/zinc/69/13/45/352691345.db2.gz OGYUTMIHGRJNGJ-SNVBAGLBSA-N 1 0 153.269 2.341 10 30 AEEERO CC(C)(C)[C@H]([NH3+])C#Cc1ccoc1 575563573 352691455 /nfs/dbraw/zinc/69/14/55/352691455.db2.gz PCZFEQMPQOGFQR-SNVBAGLBSA-N 1 0 177.247 2.005 10 30 AEEERO CC(C)(C)[C@@H]([NH3+])C#Cc1ccoc1 575563572 352691732 /nfs/dbraw/zinc/69/17/32/352691732.db2.gz PCZFEQMPQOGFQR-JTQLQIEISA-N 1 0 177.247 2.005 10 30 AEEERO C=C(C)C[NH2+][C@@]1(C)CC1(C)C 575563560 352691821 /nfs/dbraw/zinc/69/18/21/352691821.db2.gz OGYUTMIHGRJNGJ-JTQLQIEISA-N 1 0 153.269 2.341 10 30 AEEERO C=C(C)CC[C@@]1([NH3+])CC1(C)C 575565802 352703510 /nfs/dbraw/zinc/70/35/10/352703510.db2.gz LXEXTYQFDRAMRT-SNVBAGLBSA-N 1 0 153.269 2.470 10 30 AEEERO C=C(C)CC[C@]1([NH3+])CC1(C)C 575565801 352703698 /nfs/dbraw/zinc/70/36/98/352703698.db2.gz LXEXTYQFDRAMRT-JTQLQIEISA-N 1 0 153.269 2.470 10 30 AEEERO C=C(CC)C[C@]1([NH3+])CC1(C)C 575567040 352709153 /nfs/dbraw/zinc/70/91/53/352709153.db2.gz WUWOJIIIPUAPHV-JTQLQIEISA-N 1 0 153.269 2.470 10 30 AEEERO C=C(CC)C[C@@]1([NH3+])CC1(C)C 575567041 352709299 /nfs/dbraw/zinc/70/92/99/352709299.db2.gz WUWOJIIIPUAPHV-SNVBAGLBSA-N 1 0 153.269 2.470 10 30 AEEERO C[C@@H]1C[C@]1(C)[NH2+][C@@H]1CCC[C@@H]1C#N 575569106 352719745 /nfs/dbraw/zinc/71/97/45/352719745.db2.gz CCNPPEIEXOZCBC-DBIOUOCHSA-N 1 0 178.279 2.067 10 30 AEEERO C[C@@H]1C[C@]1(C)[NH2+][C@@H]1CCC[C@H]1C#N 575569113 352719761 /nfs/dbraw/zinc/71/97/61/352719761.db2.gz CCNPPEIEXOZCBC-YTWAJWBKSA-N 1 0 178.279 2.067 10 30 AEEERO C[C@@H]1C[C@]1(C)[NH2+][C@H]1CCC[C@@H]1C#N 575569115 352719818 /nfs/dbraw/zinc/71/98/18/352719818.db2.gz CCNPPEIEXOZCBC-ZNSHCXBVSA-N 1 0 178.279 2.067 10 30 AEEERO CC(=O)/C(C)=C/c1ccnc(C)c1 575569162 352719854 /nfs/dbraw/zinc/71/98/54/352719854.db2.gz CIWIAXIYSBNFNK-SOFGYWHQSA-N 1 0 175.231 2.382 10 30 AEEERO C[C@@H]1C[C@]1(C)[NH2+][C@H]1CCC[C@H]1C#N 575569110 352719876 /nfs/dbraw/zinc/71/98/76/352719876.db2.gz CCNPPEIEXOZCBC-RCWTZXSCSA-N 1 0 178.279 2.067 10 30 AEEERO C=C(C)[C@H]([NH2+]C)[C@@]1(C)C[C@H]1C 575571144 352728892 /nfs/dbraw/zinc/72/88/92/352728892.db2.gz HWTQXDPCVVUPCS-UTLUCORTSA-N 1 0 153.269 2.197 10 30 AEEERO C=C(C)[C@H]([NH2+]C)[C@@]1(C)C[C@@H]1C 575571140 352728897 /nfs/dbraw/zinc/72/88/97/352728897.db2.gz HWTQXDPCVVUPCS-GUBZILKMSA-N 1 0 153.269 2.197 10 30 AEEERO C=C(C)[C@H]([NH2+]C)[C@]1(C)C[C@@H]1C 575571142 352728983 /nfs/dbraw/zinc/72/89/83/352728983.db2.gz HWTQXDPCVVUPCS-LPEHRKFASA-N 1 0 153.269 2.197 10 30 AEEERO C=C(C)[C@H]([NH2+]C)[C@]1(C)C[C@H]1C 575571141 352729027 /nfs/dbraw/zinc/72/90/27/352729027.db2.gz HWTQXDPCVVUPCS-KXUCPTDWSA-N 1 0 153.269 2.197 10 30 AEEERO C[C@@H]1C[C@]1(C)[NH2+]CC#CC(C)(C)C 575573858 352743693 /nfs/dbraw/zinc/74/36/93/352743693.db2.gz ZEWOTHHMEGMYJL-PWSUYJOCSA-N 1 0 179.307 2.424 10 30 AEEERO C[C@H]1C[C@@]1(C)[NH2+]CC#CC(C)(C)C 575573856 352743751 /nfs/dbraw/zinc/74/37/51/352743751.db2.gz ZEWOTHHMEGMYJL-CMPLNLGQSA-N 1 0 179.307 2.424 10 30 AEEERO C[C@@H]1C[C@@]1(C)[NH2+]CC#CC(C)(C)C 575573860 352743827 /nfs/dbraw/zinc/74/38/27/352743827.db2.gz ZEWOTHHMEGMYJL-ZYHUDNBSSA-N 1 0 179.307 2.424 10 30 AEEERO C[C@H]1C[C@]1(C)[NH2+]CC#CC(C)(C)C 575573857 352743830 /nfs/dbraw/zinc/74/38/30/352743830.db2.gz ZEWOTHHMEGMYJL-JQWIXIFHSA-N 1 0 179.307 2.424 10 30 AEEERO C=CC1CCC([NH2+]CC)CC1 575574278 352745235 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159.660 2.127 10 30 AEEERO C/C=C/C(=O)[C@@]1([NH3+])CCC[C@H](C)C1 575577559 352761885 /nfs/dbraw/zinc/76/18/85/352761885.db2.gz HYIJNSFHKOOYBH-DLSFUBIUSA-N 1 0 181.279 2.039 10 30 AEEERO C/C=C/C(=O)[C@@]1([NH3+])CCC[C@@H](C)C1 575577562 352762099 /nfs/dbraw/zinc/76/20/99/352762099.db2.gz HYIJNSFHKOOYBH-DREQKGALSA-N 1 0 181.279 2.039 10 30 AEEERO C/C=C/C(=O)[C@]1([NH3+])CCC[C@@H](C)C1 575577565 352762115 /nfs/dbraw/zinc/76/21/15/352762115.db2.gz HYIJNSFHKOOYBH-FYGOAMBHSA-N 1 0 181.279 2.039 10 30 AEEERO C/C=C/C(=O)[C@]1([NH3+])CCC[C@H](C)C1 575577568 352762389 /nfs/dbraw/zinc/76/23/89/352762389.db2.gz HYIJNSFHKOOYBH-JAQYDWNVSA-N 1 0 181.279 2.039 10 30 AEEERO C/C=C/C(=O)[C@@H]1CCCCC[C@@H]1[NH3+] 575578208 352765907 /nfs/dbraw/zinc/76/59/07/352765907.db2.gz ONMWZKLYPDTDLR-GLWCVISYSA-N 1 0 181.279 2.039 10 30 AEEERO C/C=C/C(=O)[C@H]1CCCCC[C@H]1[NH3+] 575578206 352765963 /nfs/dbraw/zinc/76/59/63/352765963.db2.gz ONMWZKLYPDTDLR-GIVNNSNTSA-N 1 0 181.279 2.039 10 30 AEEERO 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CC[N@H+](CC[C@H]1CO1)C1CCCCC1 308700812 573748279 /nfs/dbraw/zinc/74/82/79/573748279.db2.gz UYUACTIGGVGYEB-LBPRGKRZSA-N 1 0 197.322 2.430 10 30 AEEERO C=C(CC)CC(=O)C1([NH2+]C)CCCC1 308701391 573748333 /nfs/dbraw/zinc/74/83/33/573748333.db2.gz VCADDFKHJYQDIF-UHFFFAOYSA-N 1 0 195.306 2.444 10 30 AEEERO C=C[C@@H](C)[NH2+]CCOC(C)(C)CC 308700987 573748360 /nfs/dbraw/zinc/74/83/60/573748360.db2.gz XXYQIBDIXZEQNX-SNVBAGLBSA-N 1 0 185.311 2.356 10 30 AEEERO C=CC[C@@H](C)[C@H]([NH3+])C1CCC1 715008010 573750913 /nfs/dbraw/zinc/75/09/13/573750913.db2.gz DBEHSWNMDPNJBX-SCZZXKLOSA-N 1 0 153.269 2.326 10 30 AEEERO CC#CCC[C@]1(F)C[C@@H]([NH3+])C12CCC2 405228717 573750985 /nfs/dbraw/zinc/75/09/85/573750985.db2.gz PYCBZKALKPLUPD-PWSUYJOCSA-N 1 0 195.281 2.400 10 30 AEEERO C=CC[C@H](C)[C@H]([NH3+])C1(C)CC1 715008026 573751532 /nfs/dbraw/zinc/75/15/32/573751532.db2.gz DBFYVDNBWZYTQL-IUCAKERBSA-N 1 0 153.269 2.326 10 30 AEEERO C[C@H]1CCC[N@H+](CC2(CS)CC2)C1 87054835 573754309 /nfs/dbraw/zinc/75/43/09/573754309.db2.gz VSWGRBFZAVFIRJ-JTQLQIEISA-N 1 0 199.363 2.428 10 30 AEEERO C[C@H]1CC[C@@H](C)[N@H+](CC(C)(C)C=O)C1 84053132 573754386 /nfs/dbraw/zinc/75/43/86/573754386.db2.gz GWXHGLJEOXMGOT-WDEREUQCSA-N 1 0 197.322 2.332 10 30 AEEERO C[C@@H]1CCC[N@@H+]1CCCCS 87054079 573754389 /nfs/dbraw/zinc/75/43/89/573754389.db2.gz YBVWJFYHDLTOJJ-SECBINFHSA-N 1 0 173.325 2.181 10 30 AEEERO SCC[NH+]1CCCCCCC1 87056403 573754437 /nfs/dbraw/zinc/75/44/37/573754437.db2.gz FLKLVGWIZZYCEU-UHFFFAOYSA-N 1 0 173.325 2.182 10 30 AEEERO C[C@@H]1CCCC[N@@H+]1CCCS 87054480 573754456 /nfs/dbraw/zinc/75/44/56/573754456.db2.gz JPGDLVANKIQDOM-SECBINFHSA-N 1 0 173.325 2.181 10 30 AEEERO C[C@@H](CS)C[N@@H+]1CCC[C@@H](C)C1 87054815 573754555 /nfs/dbraw/zinc/75/45/55/573754555.db2.gz SXMSPBVHRQVPDY-NXEZZACHSA-N 1 0 187.352 2.284 10 30 AEEERO SCC[N@@H+]1CCC[C@H]2CCC[C@H]21 87053748 573754576 /nfs/dbraw/zinc/75/45/76/573754576.db2.gz VTYVGOLWJAPUNQ-NXEZZACHSA-N 1 0 185.336 2.181 10 30 AEEERO C[C@H](CS)C[NH+]1CCCCCC1 87054877 573754609 /nfs/dbraw/zinc/75/46/09/573754609.db2.gz HAHATPBCEHJRMH-JTQLQIEISA-N 1 0 187.352 2.428 10 30 AEEERO C[C@@H]1CC[N@H+](CCCS)[C@H](C)C1 87050816 573754714 /nfs/dbraw/zinc/75/47/14/573754714.db2.gz XLDNWNVWORMROL-NXEZZACHSA-N 1 0 187.352 2.427 10 30 AEEERO C[C@@H]1CCC[N@H+](CC2(CS)CC2)C1 87054833 573754767 /nfs/dbraw/zinc/75/47/67/573754767.db2.gz VSWGRBFZAVFIRJ-SNVBAGLBSA-N 1 0 199.363 2.428 10 30 AEEERO CC(C)[N@H+](C)CC(C)(C)CS 87055156 573754884 /nfs/dbraw/zinc/75/48/84/573754884.db2.gz OWNHTTDWRHAGRB-UHFFFAOYSA-N 1 0 175.341 2.283 10 30 AEEERO C[C@H]1CCC[N@H+](CCCS)CC1 87052167 573754904 /nfs/dbraw/zinc/75/49/04/573754904.db2.gz WLWZDBUJNXDTGC-JTQLQIEISA-N 1 0 187.352 2.428 10 30 AEEERO SCCC[NH+]1CCCCCC1 87054852 573754990 /nfs/dbraw/zinc/75/49/90/573754990.db2.gz AGABTTCKABPDRJ-UHFFFAOYSA-N 1 0 173.325 2.182 10 30 AEEERO C[C@H]1CC[N@H+](CCCS)[C@H](C)C1 87050820 573755008 /nfs/dbraw/zinc/75/50/08/573755008.db2.gz XLDNWNVWORMROL-VHSXEESVSA-N 1 0 187.352 2.427 10 30 AEEERO C[C@H]1CC[C@H](C)[N@H+](CC(C)(C)C=O)C1 84053125 573755050 /nfs/dbraw/zinc/75/50/50/573755050.db2.gz GWXHGLJEOXMGOT-QWRGUYRKSA-N 1 0 197.322 2.332 10 30 AEEERO CCC(CC)(CS)C[NH+](C)C 87055852 573755174 /nfs/dbraw/zinc/75/51/74/573755174.db2.gz QLOLGXBDTIPIRS-UHFFFAOYSA-N 1 0 175.341 2.284 10 30 AEEERO CC1(C)CCC[N@H+](CCS)CC1 87053690 573755181 /nfs/dbraw/zinc/75/51/81/573755181.db2.gz FBQMSOQPVKIVAO-UHFFFAOYSA-N 1 0 187.352 2.428 10 30 AEEERO C[C@@H]1CCC[N@@H+]1CC(C)(C)CS 87054121 573755250 /nfs/dbraw/zinc/75/52/50/573755250.db2.gz NYULNKKSACNJFK-SECBINFHSA-N 1 0 187.352 2.427 10 30 AEEERO C[C@@]1([NH3+])CCC[C@@](C#N)(CCC#N)C1 238498378 573755313 /nfs/dbraw/zinc/75/53/13/573755313.db2.gz SDQCDTSPELMHHP-GHMZBOCLSA-N 1 0 191.278 2.092 10 30 AEEERO C[C@H]1CCC[N@@H+]1CCCCS 87054081 573755347 /nfs/dbraw/zinc/75/53/47/573755347.db2.gz YBVWJFYHDLTOJJ-VIFPVBQESA-N 1 0 173.325 2.181 10 30 AEEERO CC(C)(CS)C[NH+]1CCCCC1 87055513 573755365 /nfs/dbraw/zinc/75/53/65/573755365.db2.gz LHXATVBIOFWKTI-UHFFFAOYSA-N 1 0 187.352 2.428 10 30 AEEERO C[C@H]1CCC[N@@H+]1CC1(CS)CC1 87054166 573755373 /nfs/dbraw/zinc/75/53/73/573755373.db2.gz CPJOTNKUZWAURS-VIFPVBQESA-N 1 0 185.336 2.181 10 30 AEEERO CC1(C)CCC[N@H+](CCCS)C1 87052780 573755452 /nfs/dbraw/zinc/75/54/52/573755452.db2.gz LYHGNPOQQQUNGU-UHFFFAOYSA-N 1 0 187.352 2.428 10 30 AEEERO Cc1ccc(CN(C)CS)cc1 258913997 573755619 /nfs/dbraw/zinc/75/56/19/573755619.db2.gz MQAUBVDWSRZUJH-UHFFFAOYSA-N 1 0 181.304 2.314 10 30 AEEERO CC[C@H](C)[N@H+](CC)CCS 87056604 573755694 /nfs/dbraw/zinc/75/56/94/573755694.db2.gz ZRGADQXVRLTSLN-QMMMGPOBSA-N 1 0 161.314 2.037 10 30 AEEERO C[C@H]1C[C@H](C)C[NH+](C/C=C/CS)C1 87055401 573755767 /nfs/dbraw/zinc/75/57/67/573755767.db2.gz HVFBQJUWWBPVSD-SEUFLZDSSA-N 1 0 199.363 2.450 10 30 AEEERO CC1CC[NH+](CCCS)CC1 87054248 573755775 /nfs/dbraw/zinc/75/57/75/573755775.db2.gz JWMHXHPBCSSLFV-UHFFFAOYSA-N 1 0 173.325 2.038 10 30 AEEERO CC(C)[N@H+](C)CC1(CS)CC1 87055182 573755784 /nfs/dbraw/zinc/75/57/84/573755784.db2.gz QSBFVPAOOVFFLJ-UHFFFAOYSA-N 1 0 173.325 2.037 10 30 AEEERO C[C@H]1CCC[N@H+](CCS)CC1 87052197 573756017 /nfs/dbraw/zinc/75/60/17/573756017.db2.gz WKCZQHMKCLRVJQ-VIFPVBQESA-N 1 0 173.325 2.038 10 30 AEEERO C[NH+](C)C[C@H](CS)C(C)(C)C 87055841 573756043 /nfs/dbraw/zinc/75/60/43/573756043.db2.gz AXQOLJZBNSCHFR-MRVPVSSYSA-N 1 0 175.341 2.140 10 30 AEEERO C[C@@H]1C[C@@H](C)C[NH+](CCCS)C1 87055310 573756094 /nfs/dbraw/zinc/75/60/94/573756094.db2.gz CLGDFJDHNKYYND-NXEZZACHSA-N 1 0 187.352 2.284 10 30 AEEERO CC[C@H](CS)C[NH+]1CCCC1 87054332 573756157 /nfs/dbraw/zinc/75/61/57/573756157.db2.gz HGIKNFLOABPRSX-VIFPVBQESA-N 1 0 173.325 2.038 10 30 AEEERO CCCC[N@H+](C)CCCS 87056007 573756165 /nfs/dbraw/zinc/75/61/65/573756165.db2.gz HBPKTVPZRSGHCF-UHFFFAOYSA-N 1 0 161.314 2.038 10 30 AEEERO CC[C@H]1CCCC[N@@H+]1CCS 87056972 573756182 /nfs/dbraw/zinc/75/61/82/573756182.db2.gz UAJYFVRDAMNINO-VIFPVBQESA-N 1 0 173.325 2.181 10 30 AEEERO Cc1cccc(C[NH2+]CCS)c1 258915211 573756217 /nfs/dbraw/zinc/75/62/17/573756217.db2.gz PUWHYWSBYYLISG-UHFFFAOYSA-N 1 0 181.304 2.014 10 30 AEEERO C[C@H]1CC[N@H+](CCS)[C@H](C)C1 87050853 573756267 /nfs/dbraw/zinc/75/62/67/573756267.db2.gz MXJASGOMABVADJ-DTWKUNHWSA-N 1 0 173.325 2.037 10 30 AEEERO CC[C@H](C)[N@H+](C)CCCS 87057158 573756310 /nfs/dbraw/zinc/75/63/10/573756310.db2.gz UXSOUSPVDMWKKI-QMMMGPOBSA-N 1 0 161.314 2.037 10 30 AEEERO C[C@H](CS)C[NH+]1CCCCC1 87055524 573756336 /nfs/dbraw/zinc/75/63/36/573756336.db2.gz WOIDUKVHSZHLRU-VIFPVBQESA-N 1 0 173.325 2.038 10 30 AEEERO C[C@@H]1CCCCC[N@@H+]1CCS 87053952 573756345 /nfs/dbraw/zinc/75/63/45/573756345.db2.gz OLVAHALEEAKPKG-SECBINFHSA-N 1 0 173.325 2.181 10 30 AEEERO CC1(C)CCC[N@H+](CCS)C1 87052798 573756358 /nfs/dbraw/zinc/75/63/58/573756358.db2.gz LJIOMDMKHJALCQ-UHFFFAOYSA-N 1 0 173.325 2.038 10 30 AEEERO CC1CC[NH+](C/C=C/CS)CC1 87054297 573756389 /nfs/dbraw/zinc/75/63/89/573756389.db2.gz YZAHLQLKQYLDHB-NSCUHMNNSA-N 1 0 185.336 2.204 10 30 AEEERO C[C@H]1C[C@@H](C)C[N@H+](CCCS)C1 87055306 573756402 /nfs/dbraw/zinc/75/64/02/573756402.db2.gz CLGDFJDHNKYYND-AOOOYVTPSA-N 1 0 187.352 2.284 10 30 AEEERO CC1CC[NH+](CC2(CS)CC2)CC1 87054295 573756424 /nfs/dbraw/zinc/75/64/24/573756424.db2.gz OALQHQMYGHNBDQ-UHFFFAOYSA-N 1 0 199.363 2.428 10 30 AEEERO C[C@H]1CCCCC[N@@H+]1CCS 87053953 573756434 /nfs/dbraw/zinc/75/64/34/573756434.db2.gz OLVAHALEEAKPKG-VIFPVBQESA-N 1 0 173.325 2.181 10 30 AEEERO C[C@@H]1CCC[N@H+](CCCS)[C@@H]1C 87050691 573756503 /nfs/dbraw/zinc/75/65/03/573756503.db2.gz WOVXPQBPPINBIS-NXEZZACHSA-N 1 0 187.352 2.427 10 30 AEEERO C[NH+](C)CC1(CS)CCCC1 87055847 573756594 /nfs/dbraw/zinc/75/65/94/573756594.db2.gz VPYJNQHNICZIFJ-UHFFFAOYSA-N 1 0 173.325 2.038 10 30 AEEERO CC[C@@H]1CCCC[N@@H+]1CCS 87056970 573756602 /nfs/dbraw/zinc/75/66/02/573756602.db2.gz UAJYFVRDAMNINO-SECBINFHSA-N 1 0 173.325 2.181 10 30 AEEERO C[NH+](C)C[C@@H](CS)C(C)(C)C 87055839 573756668 /nfs/dbraw/zinc/75/66/68/573756668.db2.gz AXQOLJZBNSCHFR-QMMMGPOBSA-N 1 0 175.341 2.140 10 30 AEEERO C[C@@H](CS)C[NH+]1CCCCC1 87055527 573756771 /nfs/dbraw/zinc/75/67/71/573756771.db2.gz WOIDUKVHSZHLRU-SECBINFHSA-N 1 0 173.325 2.038 10 30 AEEERO C[C@H]1C[C@@H](C)C[N@H+](C/C=C/CS)C1 87055399 573756872 /nfs/dbraw/zinc/75/68/72/573756872.db2.gz HVFBQJUWWBPVSD-VMDCKITASA-N 1 0 199.363 2.450 10 30 AEEERO CC[C@H]1CCC[N@@H+]1CCCS 87054009 573756886 /nfs/dbraw/zinc/75/68/86/573756886.db2.gz DZOXLGLANZJYJV-VIFPVBQESA-N 1 0 173.325 2.181 10 30 AEEERO C[C@@H]1CCC[C@@H](C)[NH+]1CCS 87055766 573756897 /nfs/dbraw/zinc/75/68/97/573756897.db2.gz VDCLJMQQYJFQAI-RKDXNWHRSA-N 1 0 173.325 2.179 10 30 AEEERO C[C@H]1CCCC[N@H+]1C[C@@H](C)CS 87054539 573756945 /nfs/dbraw/zinc/75/69/45/573756945.db2.gz ZTQQRUISSVEGHC-ZJUUUORDSA-N 1 0 187.352 2.427 10 30 AEEERO C[C@@H](CS)C[N@@H+]1CCCC[C@H]1C 87054537 573757028 /nfs/dbraw/zinc/75/70/28/573757028.db2.gz ZTQQRUISSVEGHC-NXEZZACHSA-N 1 0 187.352 2.427 10 30 AEEERO CC[C@@H](C)[N@H+](C)CCCS 87057154 573757048 /nfs/dbraw/zinc/75/70/48/573757048.db2.gz UXSOUSPVDMWKKI-MRVPVSSYSA-N 1 0 161.314 2.037 10 30 AEEERO C[C@@H]1CC[C@@H](C)[N@H+](CC(C)(C)C=O)C1 84053128 573757059 /nfs/dbraw/zinc/75/70/59/573757059.db2.gz GWXHGLJEOXMGOT-GHMZBOCLSA-N 1 0 197.322 2.332 10 30 AEEERO C[N@H+](CCCS)Cc1ccccc1 87055903 573757215 /nfs/dbraw/zinc/75/72/15/573757215.db2.gz DBURSWDWCBGMIS-UHFFFAOYSA-N 1 0 195.331 2.438 10 30 AEEERO C[C@@H]1CCC[N@H+](CCS)[C@@H]1C 87050718 573757264 /nfs/dbraw/zinc/75/72/64/573757264.db2.gz LLFVEULBVAEISC-RKDXNWHRSA-N 1 0 173.325 2.037 10 30 AEEERO Cc1[nH]c2c(C#N)cccc2c1[C@@H](C)[NH3+] 257865984 573757306 /nfs/dbraw/zinc/75/73/06/573757306.db2.gz PMVHNOFWHFZXOR-SSDOTTSWSA-N 1 0 199.257 2.368 10 30 AEEERO C[C@H]1CCC[N@H+](CCS)[C@@H]1C 87050721 573757319 /nfs/dbraw/zinc/75/73/19/573757319.db2.gz LLFVEULBVAEISC-DTWKUNHWSA-N 1 0 173.325 2.037 10 30 AEEERO SC/C=C/C[NH+]1CCCCCC1 87054893 573757391 /nfs/dbraw/zinc/75/73/91/573757391.db2.gz ONQUHVXZEIBSBM-AATRIKPKSA-N 1 0 185.336 2.348 10 30 AEEERO N#CC1(C[NH2+]CC2CCC2)CCC1 258928610 573768262 /nfs/dbraw/zinc/76/82/62/573768262.db2.gz OGOUOXFFWFZIPA-UHFFFAOYSA-N 1 0 178.279 2.070 10 30 AEEERO C=CC[C@@]12CCC[C@@H]1CC[NH2+]2 238092307 573768315 /nfs/dbraw/zinc/76/83/15/573768315.db2.gz AVQWVZQXYHDEJC-NXEZZACHSA-N 1 0 151.253 2.095 10 30 AEEERO C=CCN(C)c1ccc([C@@H](C)[NH3+])cc1 131141182 573768646 /nfs/dbraw/zinc/76/86/46/573768646.db2.gz PAYNDZJUKFQPEX-SNVBAGLBSA-N 1 0 190.290 2.329 10 30 AEEERO C=CCN(C)c1ccccc1[C@H](C)[NH3+] 131139637 573769314 /nfs/dbraw/zinc/76/93/14/573769314.db2.gz RIVMSHUTCSSBPC-JTQLQIEISA-N 1 0 190.290 2.329 10 30 AEEERO CC#CC[NH2+]C[C@H](C)c1ccccc1 127082139 573769330 /nfs/dbraw/zinc/76/93/30/573769330.db2.gz YQMJUNUIKLLOIP-LBPRGKRZSA-N 1 0 187.286 2.403 10 30 AEEERO C=CC[C@H]1CC[C@@H](C2CC2)[NH2+]1 238097117 573769444 /nfs/dbraw/zinc/76/94/44/573769444.db2.gz KPBOQRXOPQKFNR-UWVGGRQHSA-N 1 0 151.253 2.093 10 30 AEEERO Cc1ccccc1[C@@H]1C[C@H](C#N)C[NH2+]1 108339902 573769663 /nfs/dbraw/zinc/76/96/63/573769663.db2.gz DZJWQSRXOUSOME-PWSUYJOCSA-N 1 0 186.258 2.169 10 30 AEEERO C=C[C@@H](C)[NH2+]C/C=C/c1ccco1 127088990 573769759 /nfs/dbraw/zinc/76/97/59/573769759.db2.gz STJUVIVXRGGTPU-DFVUYQKZSA-N 1 0 177.247 2.457 10 30 AEEERO C=CC[C@H]([NH3+])c1cc(C)c(N)cc1C 238510778 573773388 /nfs/dbraw/zinc/77/33/88/573773388.db2.gz SMPYOFXBIHJCNA-NSHDSACASA-N 1 0 190.290 2.462 10 30 AEEERO CC(C)[C@@H]1CCCN1[C@@H](C)C#N 84125989 573773412 /nfs/dbraw/zinc/77/34/12/573773412.db2.gz DGJNREZWMLCUEH-UWVGGRQHSA-N 1 0 166.268 2.019 10 30 AEEERO CC[C@@H](C#N)N1CCC[C@@H]1C(C)C 84125999 573775311 /nfs/dbraw/zinc/77/53/11/573775311.db2.gz GQWFHZHMYCAIBI-WDEREUQCSA-N 1 0 180.295 2.409 10 30 AEEERO COc1ccc([C@@H]([NH3+])S)c(C)c1C 259186702 573782013 /nfs/dbraw/zinc/78/20/13/573782013.db2.gz CXQNHGCVUZBEDX-JTQLQIEISA-N 1 0 197.303 2.199 10 30 AEEERO C=CC[C@@H](C)[C@H](C)[NH2+][C@H]1C[C@@H](OC)C1 308741986 573782160 /nfs/dbraw/zinc/78/21/60/573782160.db2.gz PGORCOVBAQRGSZ-KXNHARMFSA-N 1 0 197.322 2.354 10 30 AEEERO CCCO[NH+]=C(C)c1cccc(N)c1 308431843 573782207 /nfs/dbraw/zinc/78/22/07/573782207.db2.gz AEYXFIWWNIIFDR-UHFFFAOYSA-N 1 0 192.262 2.419 10 30 AEEERO C=CC[C@H](C)[C@H](C)[NH2+][C@H]1C[C@@H](OC)C1 308741984 573782344 /nfs/dbraw/zinc/78/23/44/573782344.db2.gz PGORCOVBAQRGSZ-FIQHERPVSA-N 1 0 197.322 2.354 10 30 AEEERO Cc1ccc2c(c1C#N)CCC[C@@H]2[NH3+] 238503959 573782444 /nfs/dbraw/zinc/78/24/44/573782444.db2.gz GGZJMULJEPHKKY-LBPRGKRZSA-N 1 0 186.258 2.203 10 30 AEEERO C=C[C@@H]1CC[C@@H](C2CCCC2)[NH2+]1 238113284 573787129 /nfs/dbraw/zinc/78/71/29/573787129.db2.gz WRSDDKJWZHVECL-MNOVXSKESA-N 1 0 165.280 2.483 10 30 AEEERO C=CC[C@H](C)[NH2+]C[C@H](CCC)CCO 308722655 573787463 /nfs/dbraw/zinc/78/74/63/573787463.db2.gz DYZTWAVHHJZWAF-NWDGAFQWSA-N 1 0 199.338 2.339 10 30 AEEERO C=[NH+]CCNc1ccc(C)cc1 238520986 573794178 /nfs/dbraw/zinc/79/41/78/573794178.db2.gz JHPHTKFRMGSYCC-UHFFFAOYSA-N 1 0 162.236 2.108 10 30 AEEERO CC(C)[C@@H](C#N)[C@H]([NH3+])C(C)(C)C 259188989 573794285 /nfs/dbraw/zinc/79/42/85/573794285.db2.gz DAASYZNLMCGVQY-BDAKNGLRSA-N 1 0 168.284 2.156 10 30 AEEERO C#CC[NH2+]C[C@@H](CC)c1ccccc1 308726774 573794348 /nfs/dbraw/zinc/79/43/48/573794348.db2.gz GXAHQPAESJWPRV-GFCCVEGCSA-N 1 0 187.286 2.403 10 30 AEEERO C=C(C)CC[N@@H+](C)C1CC(OC)C1 308442173 573794418 /nfs/dbraw/zinc/79/44/18/573794418.db2.gz ZGMOQJMBINIZPY-UHFFFAOYSA-N 1 0 183.295 2.062 10 30 AEEERO C#CC1([NH2+]C(C)(C)C)CCCC1 238102744 573794594 /nfs/dbraw/zinc/79/45/94/573794594.db2.gz ZCVJBTYCJMSXAW-UHFFFAOYSA-N 1 0 165.280 2.321 10 30 AEEERO C=CC[C@H](C)[C@H]([NH2+]C)C1CC1 715011022 573794657 /nfs/dbraw/zinc/79/46/57/573794657.db2.gz RBOQARBTGUWQFU-WPRPVWTQSA-N 1 0 153.269 2.197 10 30 AEEERO C=CCC[C@@H](CC)[NH2+]CC1(C)COC1 308729001 573794718 /nfs/dbraw/zinc/79/47/18/573794718.db2.gz IGGKVRKTONYXFW-LLVKDONJSA-N 1 0 197.322 2.357 10 30 AEEERO C=CC[C@@H](C)[C@@H]([NH2+]C)C1CC1 715011017 573794859 /nfs/dbraw/zinc/79/48/59/573794859.db2.gz RBOQARBTGUWQFU-PSASIEDQSA-N 1 0 153.269 2.197 10 30 AEEERO C=C(C)C[C@H]1[C@@H](C[NH3+])C1(C)C 238104313 573795083 /nfs/dbraw/zinc/79/50/83/573795083.db2.gz NOKRZZOHDJTGDJ-DTWKUNHWSA-N 1 0 153.269 2.184 10 30 AEEERO Cc1ccc(C#N)cc1[C@@H]1CCC[NH2+]1 72201562 573795093 /nfs/dbraw/zinc/79/50/93/573795093.db2.gz LGQVNQRVAJGRTJ-LBPRGKRZSA-N 1 0 186.258 2.291 10 30 AEEERO C=CCC[C@H](CC)[NH2+]CC1(C)COC1 308729005 573795095 /nfs/dbraw/zinc/79/50/95/573795095.db2.gz IGGKVRKTONYXFW-NSHDSACASA-N 1 0 197.322 2.357 10 30 AEEERO C=CCC[C@H](CC)[NH2+]C[C@@H](C)CCO 308725725 573795186 /nfs/dbraw/zinc/79/51/86/573795186.db2.gz GJVWZBFRBAFAKN-RYUDHWBXSA-N 1 0 199.338 2.339 10 30 AEEERO CCc1ccc(C[NH2+]CCS)cc1 258949241 573795584 /nfs/dbraw/zinc/79/55/84/573795584.db2.gz UOILVDYLXMKQSH-UHFFFAOYSA-N 1 0 195.331 2.268 10 30 AEEERO C#CCCC[N@@H+](C)[C@H]1CCCSC1 308441456 573795595 /nfs/dbraw/zinc/79/55/95/573795595.db2.gz YZRMIDAVQUBEIK-NSHDSACASA-N 1 0 197.347 2.227 10 30 AEEERO Cc1cc([C@H]2CCC[NH2+]2)ccc1C#N 72201565 573795690 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10 30 AEEERO CC[C@H](C#N)C[N@H+](C)CC(C)C 258958295 573805297 /nfs/dbraw/zinc/80/52/97/573805297.db2.gz KBNHFLDHROJBKR-SNVBAGLBSA-N 1 0 168.284 2.124 10 30 AEEERO C=C[C@H](C)[N@H+](CCOC)CC(C)C 308439765 573805357 /nfs/dbraw/zinc/80/53/57/573805357.db2.gz YNENVCXZCLVBDQ-NSHDSACASA-N 1 0 185.311 2.165 10 30 AEEERO C[Si](C)(C)C#C[C@@H]1CCCC[NH2+]1 238515554 573804610 /nfs/dbraw/zinc/80/46/10/573804610.db2.gz OXXXLUJVNNEPIA-JTQLQIEISA-N 1 0 181.355 2.009 10 30 AEEERO Cc1[nH]c2ccc(NCS)cc2[nH+]1 258957675 573805364 /nfs/dbraw/zinc/80/53/64/573805364.db2.gz SHNOKEHJDDXBRK-UHFFFAOYSA-N 1 0 193.275 2.171 10 30 AEEERO C[Si](C)(C)C#C[C@@H]1CCCCC[NH2+]1 238515500 573804673 /nfs/dbraw/zinc/80/46/73/573804673.db2.gz SQHSNMOEBUFXOZ-NSHDSACASA-N 1 0 195.382 2.399 10 30 AEEERO C=C[C@H](C)[NH2+]CCSC(C)C 393590960 573804688 /nfs/dbraw/zinc/80/46/88/573804688.db2.gz YLAJGWRTLSRXEY-VIFPVBQESA-N 1 0 173.325 2.292 10 30 AEEERO CC[C@@H](C#N)[C@H](CC(C)C)[NH2+]C 259194103 573804726 /nfs/dbraw/zinc/80/47/26/573804726.db2.gz KMTMTTPZURLTFN-UWVGGRQHSA-N 1 0 168.284 2.170 10 30 AEEERO C=C(C)[C@H](CC[C@@H]1CCCO1)[NH2+]CC 131286983 573804980 /nfs/dbraw/zinc/80/49/80/573804980.db2.gz ANSFDYFXCUAQMU-RYUDHWBXSA-N 1 0 197.322 2.500 10 30 AEEERO CC[C@@H](CC#N)[N@H+](CCOC)C(C)C 131280350 573805028 /nfs/dbraw/zinc/80/50/28/573805028.db2.gz RGIWFJAOHDVSEN-NSHDSACASA-N 1 0 198.310 2.035 10 30 AEEERO C=C(C)[C@H](CC[C@H]1CCCO1)[NH2+]C 131288422 573805074 /nfs/dbraw/zinc/80/50/74/573805074.db2.gz DTLCHZFSKLESHF-MNOVXSKESA-N 1 0 183.295 2.110 10 30 AEEERO C#CC[C@H](C)[NH2+]Cc1ccc(CC)o1 131270886 573805171 /nfs/dbraw/zinc/80/51/71/573805171.db2.gz XWJZLBRCZLAWKN-JTQLQIEISA-N 1 0 191.274 2.343 10 30 AEEERO C=C(C)[C@@H](CC[C@H]1CCCO1)[NH2+]CC 131287576 573806805 /nfs/dbraw/zinc/80/68/05/573806805.db2.gz ANSFDYFXCUAQMU-VXGBXAGGSA-N 1 0 197.322 2.500 10 30 AEEERO C[NH+](C)[C@@H](C1CCC1)C1(C#N)CCC1 259571390 573806859 /nfs/dbraw/zinc/80/68/59/573806859.db2.gz PGNDMPIAISVHNY-NSHDSACASA-N 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AEEERO CCc1ccc([C@H]([NH3+])S)cc1 259202775 573823290 /nfs/dbraw/zinc/82/32/90/573823290.db2.gz DMNVDRXKPMAEGE-SECBINFHSA-N 1 0 167.277 2.136 10 30 AEEERO C#CCCCO[C@H]1CCCCC[C@@H]1[NH3+] 131223336 573826354 /nfs/dbraw/zinc/82/63/54/573826354.db2.gz YNKZSIJGGMRJDG-RYUDHWBXSA-N 1 0 195.306 2.076 10 30 AEEERO CC(C)(C)[C@@H](C=O)[NH+]1CCCCC1 238130515 573826815 /nfs/dbraw/zinc/82/68/15/573826815.db2.gz XUVZZFWQKDSPIT-SNVBAGLBSA-N 1 0 183.295 2.086 10 30 AEEERO C=C[C@]12CCC[C@H](CC[N@@H+]1CC=O)C2 238130034 573826854 /nfs/dbraw/zinc/82/68/54/573826854.db2.gz PKHLSVPRNNDACY-VXGBXAGGSA-N 1 0 193.290 2.006 10 30 AEEERO C#C[C@](C)([NH2+]C(C)C)C(C)(C)C 238149498 573830318 /nfs/dbraw/zinc/83/03/18/573830318.db2.gz NVUDBZBGOFPUHX-NSHDSACASA-N 1 0 167.296 2.422 10 30 AEEERO C=C(C)CC(=O)C1([NH2+]C)CCCC1 393564240 573830372 /nfs/dbraw/zinc/83/03/72/573830372.db2.gz GOPTWGZOBHCWOT-UHFFFAOYSA-N 1 0 181.279 2.054 10 30 AEEERO C#CCCCO[C@H]1CCCCC[C@H]1[NH3+] 131223758 573830453 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