smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cccc([C@@H](C)[N@H+](C)C[C@H](O)C2CC2)c1 ZINC000160829638 538913019 /nfs/dbraw/zinc/91/30/19/538913019.db2.gz MJGKXGADQDOLLC-ABAIWWIYSA-N 1 0 249.354 2.459 20 70 BEIDRO Cc1noc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)n1 ZINC000159585848 136214489 /nfs/dbraw/zinc/21/44/89/136214489.db2.gz RABNZBMIQCZBBB-QWRGUYRKSA-N 1 0 221.304 2.143 20 70 BEIDRO Cc1cccc2c1N(Cc1nccn1C)CC2 ZINC000160798276 398180278 /nfs/dbraw/zinc/18/02/78/398180278.db2.gz KNBDGWUXIOCOLK-UHFFFAOYSA-N 1 0 227.311 2.291 20 70 BEIDRO CCc1cc(C(=O)NCC(C)(C)[NH3+])sc1C ZINC000159925050 201695032 /nfs/dbraw/zinc/69/50/32/201695032.db2.gz OWWKDXUGLGUMHN-UHFFFAOYSA-N 1 0 240.372 2.086 20 70 BEIDRO CCC[C@@H]1CCCN(C(=O)[C@@H]([NH3+])CC(C)C)C1 ZINC000161443281 398282585 /nfs/dbraw/zinc/28/25/85/398282585.db2.gz YBFUMRXUHNHRIJ-OLZOCXBDSA-N 1 0 240.391 2.399 20 70 BEIDRO Cc1ccccc1C[NH2+]C(C)(C)[C@@H](C)O ZINC000160610403 342841607 /nfs/dbraw/zinc/84/16/07/342841607.db2.gz DCSMWGSCDOTRGR-LLVKDONJSA-N 1 0 207.317 2.244 20 70 BEIDRO CCCn1c(C)nnc1C[N@@H+]1CC[C@H](C)[C@@H]1C ZINC000160605504 323073681 /nfs/dbraw/zinc/07/36/81/323073681.db2.gz ARGPDIJNTXYZQJ-QWRGUYRKSA-N 1 0 236.363 2.227 20 70 BEIDRO CCC[C@H]([NH3+])C(=O)N1CC[C@@H](CC(C)C)C1 ZINC000159611971 345445579 /nfs/dbraw/zinc/44/55/79/345445579.db2.gz CQLICJFRIVETHI-RYUDHWBXSA-N 1 0 226.364 2.008 20 70 BEIDRO COCC[N@@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000159729737 345508560 /nfs/dbraw/zinc/50/85/60/345508560.db2.gz UUJVCFPZWATFGD-CYBMUJFWSA-N 1 0 220.316 2.173 20 70 BEIDRO CC(C)CNC(=O)C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000159656249 345468527 /nfs/dbraw/zinc/46/85/27/345468527.db2.gz GFEYTCRIUOUEBF-STQMWFEESA-N 1 0 238.375 2.023 20 70 BEIDRO CCCC[NH2+][C@](C)(CO)c1ccccc1 ZINC000161158131 346029788 /nfs/dbraw/zinc/02/97/88/346029788.db2.gz PFHVEWSQMSZQFQ-CYBMUJFWSA-N 1 0 207.317 2.284 20 70 BEIDRO CCC(C)(C)C[NH2+]CC[NH2+]C(C)(C)C ZINC000161450465 346204687 /nfs/dbraw/zinc/20/46/87/346204687.db2.gz IKQMYZGMOSWTJQ-UHFFFAOYSA-N 1 0 200.370 2.400 20 70 BEIDRO Cc1cccc([C@H](C)[NH2+]CC(=O)NC(C)C)c1C ZINC000160922909 179194856 /nfs/dbraw/zinc/19/48/56/179194856.db2.gz YEERGSQJCPEUSY-ZDUSSCGKSA-N 1 0 248.370 2.479 20 70 BEIDRO CCC[N@@H+]1CCCN(C(=O)CC(C)(C)C)CC1 ZINC000160364723 347700507 /nfs/dbraw/zinc/70/05/07/347700507.db2.gz IBMGTJRAKNBYBK-UHFFFAOYSA-N 1 0 240.391 2.367 20 70 BEIDRO Cc1ccccc1[C@H](NC(=O)[C@H](C)[NH3+])C(C)C ZINC000159689067 179344136 /nfs/dbraw/zinc/34/41/36/179344136.db2.gz ZBQHHPPZXXYUNS-WCQYABFASA-N 1 0 234.343 2.156 20 70 BEIDRO CN(CCC[NH+]1CCCCC1)CC(F)F ZINC000161332965 349424000 /nfs/dbraw/zinc/42/40/00/349424000.db2.gz GULSZWGWLUWEIP-UHFFFAOYSA-N 1 0 220.307 2.059 20 70 BEIDRO C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCN ZINC000218191247 350085847 /nfs/dbraw/zinc/08/58/47/350085847.db2.gz BYBPKBHEGSDMQW-SECBINFHSA-N 1 0 246.276 2.185 20 70 BEIDRO CCOCCC[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000159433546 350143854 /nfs/dbraw/zinc/14/38/54/350143854.db2.gz FEQZPIRLYUQIQD-GFCCVEGCSA-N 1 0 237.347 2.016 20 70 BEIDRO CCCC[C@H](CC)CC(=O)NCCC[NH3+] ZINC000160064934 350627882 /nfs/dbraw/zinc/62/78/82/350627882.db2.gz PDKWBDKFXFDNTN-NSHDSACASA-N 1 0 214.353 2.058 20 70 BEIDRO CC(C)C[C@@H](CO)[NH2+][C@@H](C)c1cscn1 ZINC000161163704 188334844 /nfs/dbraw/zinc/33/48/44/188334844.db2.gz ACYHWHWHTWHNBD-UWVGGRQHSA-N 1 0 228.361 2.201 20 70 BEIDRO C[C@H](O)CC[NH2+]C/C=C\c1ccccc1 ZINC000217012956 134215415 /nfs/dbraw/zinc/21/54/15/134215415.db2.gz BEFCHYLSYDGSAP-JECSTDCCSA-N 1 0 205.301 2.060 20 70 BEIDRO C[C@@H](CO)[C@@H](C)[NH2+]CC1CCC(C)CC1 ZINC000160706247 361324025 /nfs/dbraw/zinc/32/40/25/361324025.db2.gz DVESHVUWEQEECB-CMOBGSAGSA-N 1 0 213.365 2.419 20 70 BEIDRO CCCC[C@H](C(=O)OC)[N@@H+]1CCC[C@@H]1C ZINC000160796129 361328624 /nfs/dbraw/zinc/32/86/24/361328624.db2.gz HHMRTUCPBXYVNL-WDEREUQCSA-N 1 0 213.321 2.203 20 70 BEIDRO [NH3+]CCCC(=O)N[C@@H]1CCC[C@H]1c1ccccc1 ZINC000159724935 181372957 /nfs/dbraw/zinc/37/29/57/181372957.db2.gz DCAGXLBTOCKCAA-UONOGXRCSA-N 1 0 246.354 2.178 20 70 BEIDRO [NH3+]CCCC(=O)N[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000159725060 181372575 /nfs/dbraw/zinc/37/25/75/181372575.db2.gz DCAGXLBTOCKCAA-ZIAGYGMSSA-N 1 0 246.354 2.178 20 70 BEIDRO Oc1cc(F)cc(C[NH2+]CC2CCC2)c1 ZINC000159589656 183259799 /nfs/dbraw/zinc/25/97/99/183259799.db2.gz SWMMXTFTNYUMTB-UHFFFAOYSA-N 1 0 209.264 2.421 20 70 BEIDRO C[C@H](O)C[N@H+](C)[C@@H]1CCCc2ccccc21 ZINC000159538587 384336841 /nfs/dbraw/zinc/33/68/41/384336841.db2.gz CSADSUUKONBMHO-SMDDNHRTSA-N 1 0 219.328 2.377 20 70 BEIDRO CC(C)[NH2+]C1CCN(CCCOC(C)C)CC1 ZINC000160499534 384415310 /nfs/dbraw/zinc/41/53/10/384415310.db2.gz QPJFRQSJHQMDBU-UHFFFAOYSA-N 1 0 242.407 2.264 20 70 BEIDRO CC(C)(O)C[NH2+][C@@H]1CCCOc2ccccc21 ZINC000160631150 384425085 /nfs/dbraw/zinc/42/50/85/384425085.db2.gz BPYLSCSRZFKCSF-GFCCVEGCSA-N 1 0 235.327 2.261 20 70 BEIDRO C[N@H+](CCCC(=O)c1ccccc1)[C@H]1CCOC1 ZINC000160047012 384381692 /nfs/dbraw/zinc/38/16/92/384381692.db2.gz KLQWWZAKHWBCBQ-AWEZNQCLSA-N 1 0 247.338 2.370 20 70 BEIDRO CC(C)c1noc(Cn2cnc3c2CCCC3)n1 ZINC000160720383 384431398 /nfs/dbraw/zinc/43/13/98/384431398.db2.gz SABVIFGUTNCILA-UHFFFAOYSA-N 1 0 246.314 2.317 20 70 BEIDRO CC[C@H]([NH2+]Cc1ccc(C)nc1)c1cnn(C)c1 ZINC000161263440 384476723 /nfs/dbraw/zinc/47/67/23/384476723.db2.gz VHDGOAYFGRBNJA-AWEZNQCLSA-N 1 0 244.342 2.364 20 70 BEIDRO CC[C@@H](CSC)[NH2+]Cc1ncc(Cl)n1C ZINC000217329691 384584771 /nfs/dbraw/zinc/58/47/71/384584771.db2.gz BXWJHXPKYOFYRU-QMMMGPOBSA-N 1 0 247.795 2.305 20 70 BEIDRO CCC[C@H](C)CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160245316 384669967 /nfs/dbraw/zinc/66/99/67/384669967.db2.gz FPZAIJWAXPBKOI-RWMBFGLXSA-N 1 0 238.375 2.166 20 70 BEIDRO CCCC[C@@H](C(=O)OC)[N@H+](C)CC1CC1 ZINC000160797128 384835765 /nfs/dbraw/zinc/83/57/65/384835765.db2.gz QQNPTAGHVJFESR-NSHDSACASA-N 1 0 213.321 2.060 20 70 BEIDRO C[C@@H]([NH2+][C@@H](C)c1cscn1)[C@@H]1CCCO1 ZINC000161155175 384846226 /nfs/dbraw/zinc/84/62/26/384846226.db2.gz WQWOEWQMCUONAP-NGZCFLSTSA-N 1 0 226.345 2.361 20 70 BEIDRO C[C@H]1SCC[N@H+](Cc2cnc(N)s2)[C@H]1C ZINC000161287079 385657002 /nfs/dbraw/zinc/65/70/02/385657002.db2.gz WNMWYWUSLQKLDE-JGVFFNPUSA-N 1 0 243.401 2.051 20 70 BEIDRO COC[C@@H](C)C[NH2+][C@H](C)c1cscn1 ZINC000161168652 385744729 /nfs/dbraw/zinc/74/47/29/385744729.db2.gz VHCTWBWKFQKPOG-DTWKUNHWSA-N 1 0 214.334 2.076 20 70 BEIDRO COc1cc(CNc2cc[nH+]c(C)c2)ccn1 ZINC000160916400 385926026 /nfs/dbraw/zinc/92/60/26/385926026.db2.gz WWEXNZCMFHFPNE-UHFFFAOYSA-N 1 0 229.283 2.406 20 70 BEIDRO C[C@@H]([NH3+])C(=O)N[C@@H](C)c1ccc(F)cc1Cl ZINC000161150679 386596157 /nfs/dbraw/zinc/59/61/57/386596157.db2.gz ZJSAIKJCTYHHAW-RQJHMYQMSA-N 1 0 244.697 2.004 20 70 BEIDRO CC[C@@H](Cc1ccccc1)N(CC)C(=O)C[NH2+]C ZINC000161435425 386915134 /nfs/dbraw/zinc/91/51/34/386915134.db2.gz SEXKJQIIHZATHW-AWEZNQCLSA-N 1 0 248.370 2.076 20 70 BEIDRO CCC([NH3+])(CC)CNC(=O)CCCCSC ZINC000160440743 387087135 /nfs/dbraw/zinc/08/71/35/387087135.db2.gz ZDYYSBZMEIEILM-UHFFFAOYSA-N 1 0 246.420 2.153 20 70 BEIDRO C[C@H]([NH2+]C[C@]1(C)CCCO1)c1cscn1 ZINC000161221668 387151416 /nfs/dbraw/zinc/15/14/16/387151416.db2.gz NWNOOQGDQISKKF-ONGXEEELSA-N 1 0 226.345 2.363 20 70 BEIDRO CS[C@H](C)C[NH2+]Cc1cc(O)cc(F)c1 ZINC000159616127 388024273 /nfs/dbraw/zinc/02/42/73/388024273.db2.gz QXGLYTUCXCFBTN-MRVPVSSYSA-N 1 0 229.320 2.372 20 70 BEIDRO Cc1ccc(C(=O)NCC2([NH3+])CCCCC2)cc1 ZINC000159593357 388022814 /nfs/dbraw/zinc/02/28/14/388022814.db2.gz ROKHDPIPZFELDH-UHFFFAOYSA-N 1 0 246.354 2.386 20 70 BEIDRO Cc1nc(C(C)C)sc1[C@H](C)[NH2+]CCO ZINC000159683214 388027363 /nfs/dbraw/zinc/02/73/63/388027363.db2.gz JQNIUQGUJLNZQK-QMMMGPOBSA-N 1 0 228.361 2.218 20 70 BEIDRO CCOCC[NH2+]Cc1cc(F)cc(F)c1 ZINC000160246341 388055132 /nfs/dbraw/zinc/05/51/32/388055132.db2.gz WDICKXHZSXNCSQ-UHFFFAOYSA-N 1 0 215.243 2.091 20 70 BEIDRO COc1ccc(N[C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cn1 ZINC000217903787 134250807 /nfs/dbraw/zinc/25/08/07/134250807.db2.gz KYXPJSARERREHK-DMDPSCGWSA-N 1 0 249.358 2.231 20 70 BEIDRO CC(C)C[C@H]1CCCN(C(=O)C(C)(C)C[NH3+])C1 ZINC000161473357 397735699 /nfs/dbraw/zinc/73/56/99/397735699.db2.gz ZTKRUUXAZKQASI-GFCCVEGCSA-N 1 0 240.391 2.256 20 70 BEIDRO CC[NH2+]CCNCc1ccc(C)c(C)c1 ZINC000161297404 170115946 /nfs/dbraw/zinc/11/59/46/170115946.db2.gz CLRQTIIAHJGHRG-UHFFFAOYSA-N 1 0 206.333 2.003 20 70 BEIDRO CC[C@H](c1ccccc1)[N@H+](C)C[C@@H](C)O ZINC000159367010 171598715 /nfs/dbraw/zinc/59/87/15/171598715.db2.gz RRHSSXHJWHVFQX-DGCLKSJQSA-N 1 0 207.317 2.450 20 70 BEIDRO CCn1nccc1C[NH2+]CCCC(C)C ZINC000160203935 172270823 /nfs/dbraw/zinc/27/08/23/172270823.db2.gz LCHKYBBVLMTPJW-UHFFFAOYSA-N 1 0 209.337 2.429 20 70 BEIDRO C[NH2+]C[C@@H](C)C(=O)Nc1ncc(C(C)C)s1 ZINC000160894820 173363775 /nfs/dbraw/zinc/36/37/75/173363775.db2.gz LQTOFOSCELANPP-MRVPVSSYSA-N 1 0 241.360 2.061 20 70 BEIDRO COc1ccc([C@@H](C)[NH2+]CCO)c2ccccc12 ZINC000159687165 175177206 /nfs/dbraw/zinc/17/72/06/175177206.db2.gz TWBJVQLHVQMAGM-LLVKDONJSA-N 1 0 245.322 2.491 20 70 BEIDRO C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)C(C)(C)[NH3+] ZINC000160903155 177338395 /nfs/dbraw/zinc/33/83/95/177338395.db2.gz DKFMDNXGWFYDQV-WCQYABFASA-N 1 0 246.354 2.128 20 70 BEIDRO C[C@H]1C[C@@H]1C[NH2+]Cc1cc(O)cc(F)c1 ZINC000159614728 177345977 /nfs/dbraw/zinc/34/59/77/177345977.db2.gz LITRFSQJZWOCAO-WCBMZHEXSA-N 1 0 209.264 2.277 20 70 BEIDRO C[C@H]1[NH2+]CCC[C@@H]1Nc1ncccc1Cl ZINC000160545786 177394837 /nfs/dbraw/zinc/39/48/37/177394837.db2.gz WDFFLRDTXYBHCF-SCZZXKLOSA-N 1 0 225.723 2.287 20 70 BEIDRO Cc1ccc(C[N@@H+]2CCS[C@H](C)C2)nc1 ZINC000159841942 323050551 /nfs/dbraw/zinc/05/05/51/323050551.db2.gz LPBAAQBCCSHRCX-LLVKDONJSA-N 1 0 222.357 2.327 20 70 BEIDRO CCCNC(=O)[C@@H](C)[N@H+](CC)C[C@@H](C)CC ZINC000160522474 323070086 /nfs/dbraw/zinc/07/00/86/323070086.db2.gz GASZUZHTCHFXIF-NWDGAFQWSA-N 1 0 228.380 2.269 20 70 BEIDRO Cc1ncccc1C[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000160541787 323070610 /nfs/dbraw/zinc/07/06/10/323070610.db2.gz DSYFACVEYRHFOO-CYBMUJFWSA-N 1 0 234.343 2.437 20 70 BEIDRO CC[C@@]1(C)CCCN(C(=O)CC[NH2+]C(C)C)C1 ZINC000160776433 323134724 /nfs/dbraw/zinc/13/47/24/323134724.db2.gz CANIAAZBLNKQLI-AWEZNQCLSA-N 1 0 240.391 2.413 20 70 BEIDRO CCCC[C@@H](NC(=O)[C@@H]([NH3+])CC)C1CCC1 ZINC000160781057 323134744 /nfs/dbraw/zinc/13/47/44/323134744.db2.gz AGURBFVPXCTILX-NWDGAFQWSA-N 1 0 226.364 2.199 20 70 BEIDRO CCCn1c(C)nnc1C[NH+]1[C@H](C)CC[C@H]1C ZINC000161224466 323469653 /nfs/dbraw/zinc/46/96/53/323469653.db2.gz CSYXIUTWZVPJTA-GHMZBOCLSA-N 1 0 236.363 2.369 20 70 BEIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)CCc2ccccc2)C1 ZINC000161198432 487484440 /nfs/dbraw/zinc/48/44/40/487484440.db2.gz BGJAMGDICSASRC-KGLIPLIRSA-N 1 0 246.354 2.005 20 70 BEIDRO C[C@@H]1CCC[C@H](C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000161339467 487491850 /nfs/dbraw/zinc/49/18/50/487491850.db2.gz BKJSHWDZZJGQKF-MROQNXINSA-N 1 0 238.375 2.199 20 70 BEIDRO Cc1ccc(CCNC(=O)CC[NH2+]C(C)C)cc1 ZINC000160804420 488167237 /nfs/dbraw/zinc/16/72/37/488167237.db2.gz JAKXJVJKDKSDFF-UHFFFAOYSA-N 1 0 248.370 2.042 20 70 BEIDRO CC(C)[C@H](c1ccccc1)N(C)C(=O)CC[NH3+] ZINC000159755860 535166844 /nfs/dbraw/zinc/16/68/44/535166844.db2.gz NPVAZSJRSPRQGA-CQSZACIVSA-N 1 0 234.343 2.191 20 70 BEIDRO CC(C)([NH3+])CNC(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000159945486 535207184 /nfs/dbraw/zinc/20/71/84/535207184.db2.gz XNGVITZDUFYWJC-VXGBXAGGSA-N 1 0 238.375 2.056 20 70 BEIDRO C[C@H]([NH2+]CC[C@@H]1CCCO1)c1cscn1 ZINC000161152651 538914607 /nfs/dbraw/zinc/91/46/07/538914607.db2.gz SOQYGRULYKBEHS-UWVGGRQHSA-N 1 0 226.345 2.363 20 70 BEIDRO CC[C@H](C(=O)Nc1ncc(Cl)s1)[NH+](C)C ZINC000161246346 538914922 /nfs/dbraw/zinc/91/49/22/538914922.db2.gz IFUHVFGEPCSCSC-ZCFIWIBFSA-N 1 0 247.751 2.075 20 70 BEIDRO CCC[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000161445652 398282471 /nfs/dbraw/zinc/28/24/71/398282471.db2.gz MBRSIGKDYHQFAM-OLZOCXBDSA-N 1 0 238.375 2.167 20 70 BEIDRO CC[C@H](C)C[NH2+][C@@H]1CCN2CCCC[C@@H]12 ZINC000217633855 136278173 /nfs/dbraw/zinc/27/81/73/136278173.db2.gz KQQHOWAEAOROFD-XQQFMLRXSA-N 1 0 210.365 2.249 20 70 BEIDRO C[C@H](Cn1cccn1)[NH2+]CCc1ccc(F)cc1 ZINC000159550403 345441980 /nfs/dbraw/zinc/44/19/80/345441980.db2.gz OAGHGEIZKJWUAN-GFCCVEGCSA-N 1 0 247.317 2.243 20 70 BEIDRO Cc1nnc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)o1 ZINC000159623417 345449701 /nfs/dbraw/zinc/44/97/01/345449701.db2.gz UUCRGFVBOXKCFV-QWRGUYRKSA-N 1 0 221.304 2.143 20 70 BEIDRO C[NH+](C)CCSc1nc(C(C)(C)C)ns1 ZINC000159920548 345657186 /nfs/dbraw/zinc/65/71/86/345657186.db2.gz VOTRXFSCQWFIKW-UHFFFAOYSA-N 1 0 245.417 2.489 20 70 BEIDRO CC(C)N(C(=O)[C@@H]1CCC[C@@H]([NH3+])C1)C1CCC1 ZINC000160560848 187359673 /nfs/dbraw/zinc/35/96/73/187359673.db2.gz RHBINXUQRXPAJU-VXGBXAGGSA-N 1 0 238.375 2.293 20 70 BEIDRO Cc1cccc(C[NH2+]C(C)(C)[C@@H](C)O)c1 ZINC000160626555 179088582 /nfs/dbraw/zinc/08/85/82/179088582.db2.gz LUXPNLTTZXRRIA-LLVKDONJSA-N 1 0 207.317 2.244 20 70 BEIDRO Cc1cccc(C[NH2+]C(C)(C)[C@H](C)O)c1 ZINC000160626657 179088064 /nfs/dbraw/zinc/08/80/64/179088064.db2.gz LUXPNLTTZXRRIA-NSHDSACASA-N 1 0 207.317 2.244 20 70 BEIDRO CC[N@@H+]1CCCC[C@@H]1CN[C@@H](C)c1cnccn1 ZINC000161179566 349385343 /nfs/dbraw/zinc/38/53/43/349385343.db2.gz YKHNEDCWEBYWAH-QWHCGFSZSA-N 1 0 248.374 2.002 20 70 BEIDRO CC(C)C[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000161395440 349428614 /nfs/dbraw/zinc/42/86/14/349428614.db2.gz DEWBUTGVGKGNGR-LBPRGKRZSA-N 1 0 248.374 2.060 20 70 BEIDRO CC(C)C[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC000216973371 350025641 /nfs/dbraw/zinc/02/56/41/350025641.db2.gz QBUTZAUKCSPMNC-LBPRGKRZSA-N 1 0 240.391 2.269 20 70 BEIDRO CCOCCC[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000159433400 350143720 /nfs/dbraw/zinc/14/37/20/350143720.db2.gz FEQZPIRLYUQIQD-LBPRGKRZSA-N 1 0 237.347 2.016 20 70 BEIDRO C[C@H](CCC(C)(C)C)NC(=O)C[C@H]1CCC[NH2+]1 ZINC000159774105 350365918 /nfs/dbraw/zinc/36/59/18/350365918.db2.gz RYUOCXPXTWVVEW-VXGBXAGGSA-N 1 0 240.391 2.460 20 70 BEIDRO CC1(C)C[C@H]([NH2+][C@H]2CCCSC2)CCO1 ZINC000159991293 350596830 /nfs/dbraw/zinc/59/68/30/350596830.db2.gz YGNGQIMTZSDKKQ-MNOVXSKESA-N 1 0 229.389 2.429 20 70 BEIDRO CCC(CC)[NH2+]C[C@](C)(O)C(F)(F)F ZINC000217043836 363126011 /nfs/dbraw/zinc/12/60/11/363126011.db2.gz MZPGWAPPNCZIFI-QMMMGPOBSA-N 1 0 213.243 2.078 20 70 BEIDRO COc1cccc(C[NH2+]CCSC)c1F ZINC000160465021 356985680 /nfs/dbraw/zinc/98/56/80/356985680.db2.gz KFWQNHZOBZUQPZ-UHFFFAOYSA-N 1 0 229.320 2.287 20 70 BEIDRO C[C@H](C(=O)OC(C)(C)C)[N@@H+]1CC[C@@H](C)C1 ZINC000217728906 134250445 /nfs/dbraw/zinc/25/04/45/134250445.db2.gz RUDIPSKEEWHZES-NXEZZACHSA-N 1 0 213.321 2.058 20 70 BEIDRO C[C@H](CCC(C)(C)C)NC(=O)[C@H]1CCCC[NH2+]1 ZINC000159768509 361288603 /nfs/dbraw/zinc/28/86/03/361288603.db2.gz FTMRKTMBMLTEND-VXGBXAGGSA-N 1 0 240.391 2.460 20 70 BEIDRO Cc1nc(C)c(C[NH2+]C(C)(C)[C@@H](C)O)s1 ZINC000160602589 361321495 /nfs/dbraw/zinc/32/14/95/361321495.db2.gz ZZTANEGNEDGEIG-MRVPVSSYSA-N 1 0 228.361 2.009 20 70 BEIDRO C[C@@H](O)C[NH2+]C1CCC2(CCCC2)CC1 ZINC000161362881 368138797 /nfs/dbraw/zinc/13/87/97/368138797.db2.gz JEVRRFSHOYEJET-LLVKDONJSA-N 1 0 211.349 2.460 20 70 BEIDRO CCn1ccnc1C[NH2+]C[C@@H]1CC1(C)C ZINC000217806224 372014402 /nfs/dbraw/zinc/01/44/02/372014402.db2.gz XEHLJNNXBYUKOC-JTQLQIEISA-N 1 0 207.321 2.039 20 70 BEIDRO CCC[C@@H](C)CC(=O)NCC([NH3+])(CC)CC ZINC000160483526 169355917 /nfs/dbraw/zinc/35/59/17/169355917.db2.gz SDZORSFPRNVGEB-LLVKDONJSA-N 1 0 228.380 2.446 20 70 BEIDRO CCC[C@@H]([NH3+])C(=O)N[C@H](C)CCC(C)(C)C ZINC000161231131 169390363 /nfs/dbraw/zinc/39/03/63/169390363.db2.gz QHHNRYFLDKSPPM-GHMZBOCLSA-N 1 0 228.380 2.445 20 70 BEIDRO c1cncc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1 ZINC000159661176 384349413 /nfs/dbraw/zinc/34/94/13/384349413.db2.gz FUKRSAMWHQDBHZ-IHRRRGAJSA-N 1 0 244.338 2.129 20 70 BEIDRO CC[C@H]1CCC[N@H+](CCn2ccnc2)C1 ZINC000159722294 384351144 /nfs/dbraw/zinc/35/11/44/384351144.db2.gz UGZDMSKAZIVUNB-LBPRGKRZSA-N 1 0 207.321 2.005 20 70 BEIDRO C[C@@H]([NH2+]CCO)c1cccc(OC(F)(F)F)c1 ZINC000159719084 384351875 /nfs/dbraw/zinc/35/18/75/384351875.db2.gz ZVSHMXMTPKIBEO-MRVPVSSYSA-N 1 0 249.232 2.228 20 70 BEIDRO Cc1ccc(CC[N@@H+]2CCCC[C@@H]2CO)cc1 ZINC000159851505 384365817 /nfs/dbraw/zinc/36/58/17/384365817.db2.gz OYBLINXUCLOGST-OAHLLOKOSA-N 1 0 233.355 2.384 20 70 BEIDRO CC[N@H+](CCCCOC)CCc1nccs1 ZINC000159426459 384330647 /nfs/dbraw/zinc/33/06/47/384330647.db2.gz YFOWQOLIEOZPIF-UHFFFAOYSA-N 1 0 242.388 2.434 20 70 BEIDRO C[C@H](O)C[N@H+](C)[C@@H](C)c1cc(F)ccc1F ZINC000159505512 384334357 /nfs/dbraw/zinc/33/43/57/384334357.db2.gz GAGGATKOUBUHCV-IUCAKERBSA-N 1 0 229.270 2.338 20 70 BEIDRO COC(C[N@@H+]1CCC[C@H]1c1ccccc1)OC ZINC000160356461 384402501 /nfs/dbraw/zinc/40/25/01/384402501.db2.gz QWTIVEKDCJGFGG-ZDUSSCGKSA-N 1 0 235.327 2.442 20 70 BEIDRO CC(C)(O)C[NH2+][C@H]1CCCOc2ccccc21 ZINC000160631269 384425238 /nfs/dbraw/zinc/42/52/38/384425238.db2.gz BPYLSCSRZFKCSF-LBPRGKRZSA-N 1 0 235.327 2.261 20 70 BEIDRO CC[C@H]([NH3+])C(=O)N1C[C@H](c2ccccc2)C[C@@H]1C ZINC000160905139 384445401 /nfs/dbraw/zinc/44/54/01/384445401.db2.gz NSIRORIJSMHRKF-YUTCNCBUSA-N 1 0 246.354 2.128 20 70 BEIDRO C[C@H](N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1cnccn1 ZINC000161063402 384461615 /nfs/dbraw/zinc/46/16/15/384461615.db2.gz QQDSBLFLJQPERH-XQQFMLRXSA-N 1 0 248.374 2.000 20 70 BEIDRO CC[C@](C)(O)C[N@H+](C)Cc1ccc(Cl)nc1 ZINC000161416951 384487188 /nfs/dbraw/zinc/48/71/88/384487188.db2.gz HHESSUMFCYDCRN-LBPRGKRZSA-N 1 0 242.750 2.328 20 70 BEIDRO Cc1cccc([C@@H](C)C(=O)N2CCC[C@@H]2C[NH3+])c1 ZINC000160149173 384638435 /nfs/dbraw/zinc/63/84/35/384638435.db2.gz GKPVHOMTKCDSHN-TZMCWYRMSA-N 1 0 246.354 2.048 20 70 BEIDRO C[C@H]([NH2+]CCc1nccs1)c1cscn1 ZINC000161180239 384883362 /nfs/dbraw/zinc/88/33/62/384883362.db2.gz BCRFZZCHVRJERP-QMMMGPOBSA-N 1 0 239.369 2.493 20 70 BEIDRO CCN1CCCC[C@@H]1C[NH2+][C@@H](C)C(C)C ZINC000161170750 384864719 /nfs/dbraw/zinc/86/47/19/384864719.db2.gz NGSGKWJZYLBGOK-QWHCGFSZSA-N 1 0 212.381 2.495 20 70 BEIDRO CCCCC[NH2+]C1CCC(NC(C)=O)CC1 ZINC000161216032 384929066 /nfs/dbraw/zinc/92/90/66/384929066.db2.gz NJFHIBTXQKYGIA-UHFFFAOYSA-N 1 0 226.364 2.214 20 70 BEIDRO CC[C@H](CCO)C[NH2+][C@H](C)c1cscn1 ZINC000161221546 384930091 /nfs/dbraw/zinc/93/00/91/384930091.db2.gz YEMOIERIDUNENU-NXEZZACHSA-N 1 0 228.361 2.202 20 70 BEIDRO Cc1c(C[NH2+][C@H](C)C2(C)CC2)cnn1C ZINC000161232956 384944927 /nfs/dbraw/zinc/94/49/27/384944927.db2.gz CCGIZEDNHSOJCL-SNVBAGLBSA-N 1 0 207.321 2.007 20 70 BEIDRO Cc1ccc(O)c(C[NH2+]C2(C)CCC2)n1 ZINC000159996508 385727843 /nfs/dbraw/zinc/72/78/43/385727843.db2.gz ZWKOJFLBJUYKEY-UHFFFAOYSA-N 1 0 206.289 2.128 20 70 BEIDRO C[C@H]([NH3+])C(=O)N[C@@H](C)CCC1CCCCC1 ZINC000160913983 385922194 /nfs/dbraw/zinc/92/21/94/385922194.db2.gz SZFLCAHTFIWDDR-QWRGUYRKSA-N 1 0 226.364 2.199 20 70 BEIDRO COc1ccc(CNc2cc[nH+]c(C)c2)cn1 ZINC000160916267 385923700 /nfs/dbraw/zinc/92/37/00/385923700.db2.gz GQQHBOQYEXRHMJ-UHFFFAOYSA-N 1 0 229.283 2.406 20 70 BEIDRO CC(C)(C)CCCC(=O)N1CCC[C@H]1C[NH3+] ZINC000160391038 387085381 /nfs/dbraw/zinc/08/53/81/387085381.db2.gz CEQJBHOXTSQDKD-NSHDSACASA-N 1 0 226.364 2.153 20 70 BEIDRO CCC([NH3+])(CC)CNC(=O)C[C@H]1CC[C@@H](C)C1 ZINC000160504007 387102030 /nfs/dbraw/zinc/10/20/30/387102030.db2.gz AGDAILRYGGGIMD-NEPJUHHUSA-N 1 0 240.391 2.446 20 70 BEIDRO CC[C@H](COC)[NH2+][C@H](C)c1cscn1 ZINC000161206786 387149140 /nfs/dbraw/zinc/14/91/40/387149140.db2.gz GBOSCALCVYZZHM-RKDXNWHRSA-N 1 0 214.334 2.219 20 70 BEIDRO CSC[C@@H](C)[NH2+]Cc1cc(O)cc(F)c1 ZINC000159617090 388024052 /nfs/dbraw/zinc/02/40/52/388024052.db2.gz LUORFMOHWJKCQQ-MRVPVSSYSA-N 1 0 229.320 2.372 20 70 BEIDRO CSC[C@H](C)[NH2+]Cc1cc(O)cc(F)c1 ZINC000159616979 388024350 /nfs/dbraw/zinc/02/43/50/388024350.db2.gz LUORFMOHWJKCQQ-QMMMGPOBSA-N 1 0 229.320 2.372 20 70 BEIDRO C[C@@H]([NH2+]Cc1cc(O)cc(F)c1)C1CC1 ZINC000159590921 388022717 /nfs/dbraw/zinc/02/27/17/388022717.db2.gz IJZKOWRJAJQOGG-MRVPVSSYSA-N 1 0 209.264 2.419 20 70 BEIDRO C[C@@H]1C[C@H]1C[NH2+]Cc1cc(O)cc(F)c1 ZINC000159614873 388023544 /nfs/dbraw/zinc/02/35/44/388023544.db2.gz LITRFSQJZWOCAO-SCZZXKLOSA-N 1 0 209.264 2.277 20 70 BEIDRO CCOCC[NH2+][C@H](C)c1ncc(C)s1 ZINC000159770661 388029288 /nfs/dbraw/zinc/02/92/88/388029288.db2.gz JMZMACADAPCARP-SECBINFHSA-N 1 0 214.334 2.139 20 70 BEIDRO CCc1nnc(C[NH2+][C@H](C)C2CCCCC2)[nH]1 ZINC000160288354 388056577 /nfs/dbraw/zinc/05/65/77/388056577.db2.gz PKBKYDFLWBUUSY-SNVBAGLBSA-N 1 0 236.363 2.426 20 70 BEIDRO CC(C)N(C(=O)CC1CC[NH2+]CC1)C1CCC1 ZINC000160561277 388075053 /nfs/dbraw/zinc/07/50/53/388075053.db2.gz OALPZHOHITVNHX-UHFFFAOYSA-N 1 0 238.375 2.166 20 70 BEIDRO CSCCC[NH2+]Cc1ccncc1C ZINC000160594829 388077783 /nfs/dbraw/zinc/07/77/83/388077783.db2.gz KHJFLYPUNZJHNW-UHFFFAOYSA-N 1 0 210.346 2.233 20 70 BEIDRO C[C@H](O)C(C)(C)[NH2+]Cc1ccc(F)cc1 ZINC000160622794 388079849 /nfs/dbraw/zinc/07/98/49/388079849.db2.gz ZHIHJXTZVKDKMR-VIFPVBQESA-N 1 0 211.280 2.075 20 70 BEIDRO CC[C@@H](C)N(C)CC[NH2+][C@@H](C)CC1CC1 ZINC000160119418 388045603 /nfs/dbraw/zinc/04/56/03/388045603.db2.gz AWFBXDRQPJOYGL-NWDGAFQWSA-N 1 0 212.381 2.495 20 70 BEIDRO C[C@H](C(=O)OC(C)(C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000217724597 388570726 /nfs/dbraw/zinc/57/07/26/388570726.db2.gz XGCZQVMWSYZSCZ-GHMZBOCLSA-N 1 0 227.348 2.449 20 70 BEIDRO CC(C)C[C@@H]1CCCN(C(=O)C(C)(C)C[NH3+])C1 ZINC000161473237 397736131 /nfs/dbraw/zinc/73/61/31/397736131.db2.gz ZTKRUUXAZKQASI-LBPRGKRZSA-N 1 0 240.391 2.256 20 70 BEIDRO C[C@@H]([NH2+][C@H](CCO)c1ccccc1)[C@@H]1CCOC1 ZINC000160973373 397773074 /nfs/dbraw/zinc/77/30/74/397773074.db2.gz XXIJCGRCYYMBED-BPLDGKMQSA-N 1 0 249.354 2.125 20 70 BEIDRO CC[NH2+]CCNCc1ccc(F)cc1Cl ZINC000161295930 170115579 /nfs/dbraw/zinc/11/55/79/170115579.db2.gz CUOAEJJIMSQNGQ-UHFFFAOYSA-N 1 0 230.714 2.178 20 70 BEIDRO CC[C@@]1(C)CCCN(C(=O)[C@@H]([NH3+])C(C)C)C1 ZINC000160778309 171198447 /nfs/dbraw/zinc/19/84/47/171198447.db2.gz YRNNIEXZGDUWFK-AAEUAGOBSA-N 1 0 226.364 2.008 20 70 BEIDRO CCc1noc(C)c1C[N@@H+]1CCCSCC1 ZINC000161487583 172074669 /nfs/dbraw/zinc/07/46/69/172074669.db2.gz DIKFBKTYDCDQTL-UHFFFAOYSA-N 1 0 240.372 2.484 20 70 BEIDRO COCC[C@@H](C)[NH2+][C@@H](C)c1cscn1 ZINC000161181342 174385231 /nfs/dbraw/zinc/38/52/31/174385231.db2.gz BBQLAXCODXENAE-BDAKNGLRSA-N 1 0 214.334 2.219 20 70 BEIDRO C[C@@H](NC(=O)CC[NH3+])c1ccc(F)cc1Cl ZINC000161150196 175830041 /nfs/dbraw/zinc/83/00/41/175830041.db2.gz GYYILUWXJUSLTB-SSDOTTSWSA-N 1 0 244.697 2.005 20 70 BEIDRO C[C@H]1CC[N@H+](Cc2cc(O)cc(F)c2)C1 ZINC000159822494 177163621 /nfs/dbraw/zinc/16/36/21/177163621.db2.gz LVZKDJMRQADJPO-VIFPVBQESA-N 1 0 209.264 2.373 20 70 BEIDRO C[C@@H]([NH2+]CCCN1CCCC1=O)C1CCCC1 ZINC000159569091 323037430 /nfs/dbraw/zinc/03/74/30/323037430.db2.gz BGZLMYWLIZESCW-GFCCVEGCSA-N 1 0 238.375 2.167 20 70 BEIDRO CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccccc2C)C1 ZINC000159814918 323049229 /nfs/dbraw/zinc/04/92/29/323049229.db2.gz YBRIYVHEYDHPHI-JSGCOSHPSA-N 1 0 246.354 2.266 20 70 BEIDRO CC[C@@H](O)C[N@H+](CCc1nccs1)C(C)C ZINC000159885296 323051971 /nfs/dbraw/zinc/05/19/71/323051971.db2.gz OTGCVQJNAMOXSK-LLVKDONJSA-N 1 0 242.388 2.167 20 70 BEIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C1CCC1 ZINC000160514479 323069933 /nfs/dbraw/zinc/06/99/33/323069933.db2.gz RVNDWMIFEKPFSM-CYBMUJFWSA-N 1 0 238.375 2.023 20 70 BEIDRO CCCN(Cc1nncn1C)Cc1ccccc1 ZINC000160686272 323103320 /nfs/dbraw/zinc/10/33/20/323103320.db2.gz IZLWZIRJLGLJJC-UHFFFAOYSA-N 1 0 244.342 2.227 20 70 BEIDRO CCCn1c(C)nnc1C[N@@H+]1CC[C@H](CC)C1 ZINC000160941945 323139686 /nfs/dbraw/zinc/13/96/86/323139686.db2.gz ABOUCLSILMEQHW-LBPRGKRZSA-N 1 0 236.363 2.228 20 70 BEIDRO CC[C@@H]1CCC[N@@H+]1Cc1ccc(CO)o1 ZINC000161165950 323149631 /nfs/dbraw/zinc/14/96/31/323149631.db2.gz QDCSIIAXJWKJAN-SNVBAGLBSA-N 1 0 209.289 2.146 20 70 BEIDRO C[C@H]([NH2+]C[C@H]1CCCCO1)c1cscn1 ZINC000161171749 323149977 /nfs/dbraw/zinc/14/99/77/323149977.db2.gz YJUJIOGTQFYETN-VHSXEESVSA-N 1 0 226.345 2.363 20 70 BEIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)CCC2CCCC2)C1 ZINC000161198572 487484112 /nfs/dbraw/zinc/48/41/12/487484112.db2.gz FTOOYBCZMBNPCX-QWHCGFSZSA-N 1 0 238.375 2.343 20 70 BEIDRO Cc1ccc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)c(C)c1 ZINC000160974811 488183716 /nfs/dbraw/zinc/18/37/16/488183716.db2.gz YHGHGJGHTMWOEP-STQMWFEESA-N 1 0 246.354 2.303 20 70 BEIDRO C[N@H+](C/C=C\c1ccccc1)CC1CC(O)C1 ZINC000217396550 490439503 /nfs/dbraw/zinc/43/95/03/490439503.db2.gz VOKITHIYTCGYRY-YVMONPNESA-N 1 0 231.339 2.403 20 70 BEIDRO CC(C)[C@@H](C)[N@H+](C)C[C@@H](O)C(C)(C)C ZINC000216932848 535160039 /nfs/dbraw/zinc/16/00/39/535160039.db2.gz LRWXCGRPLIQRDT-GHMZBOCLSA-N 1 0 201.354 2.370 20 70 BEIDRO CCOC(=O)CC[N@H+](C)[C@H]1CCC[C@@H](C)C1 ZINC000217934085 535646524 /nfs/dbraw/zinc/64/65/24/535646524.db2.gz HFXBGDQQGLAQGM-NEPJUHHUSA-N 1 0 227.348 2.450 20 70 BEIDRO CC[N@H+](Cc1ccoc1)C[C@](C)(O)CC ZINC000160836325 538912748 /nfs/dbraw/zinc/91/27/48/538912748.db2.gz HWAYKBAMHZZVPN-GFCCVEGCSA-N 1 0 211.305 2.263 20 70 BEIDRO C[N@H+](CCCCS(C)(=O)=O)C1CCCCC1 ZINC000161079924 538914113 /nfs/dbraw/zinc/91/41/13/538914113.db2.gz YXRNVOLVPDVTMD-UHFFFAOYSA-N 1 0 247.404 2.076 20 70 BEIDRO CC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000161485862 349463811 /nfs/dbraw/zinc/46/38/11/349463811.db2.gz TWQJACXUXPONNH-UHFFFAOYSA-N 1 0 238.375 2.166 20 70 BEIDRO CC(C)CC[C@@H](NC(=O)[C@@H](C)[NH3+])C(C)(C)C ZINC000160071762 136214597 /nfs/dbraw/zinc/21/45/97/136214597.db2.gz XCEGSDJPJSEMHF-GHMZBOCLSA-N 1 0 228.380 2.301 20 70 BEIDRO CCC([NH3+])(CC)CNC(=O)CCC1CCC1 ZINC000160523567 168416093 /nfs/dbraw/zinc/41/60/93/168416093.db2.gz YTOSIKSAGCQBEV-UHFFFAOYSA-N 1 0 226.364 2.200 20 70 BEIDRO CCC([NH3+])(CC)CNC(=O)[C@H]1C[C@]1(C)CC ZINC000160484231 168417400 /nfs/dbraw/zinc/41/74/00/168417400.db2.gz JPDQPDTTXZRNEY-PWSUYJOCSA-N 1 0 226.364 2.056 20 70 BEIDRO CCCC[C@H](SCC[NH+](C)C)C(=O)OC ZINC000160997869 136273761 /nfs/dbraw/zinc/27/37/61/136273761.db2.gz CXYUBPKLLTXGNM-JTQLQIEISA-N 1 0 233.377 2.013 20 70 BEIDRO OCC[NH2+][C@@H]1CCSc2c(Cl)cccc21 ZINC000159714901 343202447 /nfs/dbraw/zinc/20/24/47/343202447.db2.gz STQCRLYUFDPXQB-SNVBAGLBSA-N 1 0 243.759 2.459 20 70 BEIDRO C[C@@H]1CC([NH2+]C2CCSCC2)C[C@@H](C)O1 ZINC000161066285 345245108 /nfs/dbraw/zinc/24/51/08/345245108.db2.gz JCFXPXSJOPIXPA-NXEZZACHSA-N 1 0 229.389 2.428 20 70 BEIDRO O=C(C=C1CCC1)N1CCC([NH2+]CC2CC2)CC1 ZINC000159766113 345524380 /nfs/dbraw/zinc/52/43/80/345524380.db2.gz MFLPNZRVBNTGNK-UHFFFAOYSA-N 1 0 248.370 2.087 20 70 BEIDRO CC[C@H]([NH2+]CCC(C)(C)O)c1c(C)noc1C ZINC000159761181 345513216 /nfs/dbraw/zinc/51/32/16/345513216.db2.gz HEIAYYBRWSVFIC-NSHDSACASA-N 1 0 240.347 2.493 20 70 BEIDRO C[C@@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1cscn1 ZINC000161209821 346087886 /nfs/dbraw/zinc/08/78/86/346087886.db2.gz KUBOXJIJWNJKON-FOGDFJRCSA-N 1 0 240.372 2.345 20 70 BEIDRO CSCC[C@H](C)[N@H+](C)Cc1cnc(N)s1 ZINC000161289467 346168019 /nfs/dbraw/zinc/16/80/19/346168019.db2.gz BBSRFUBHQVZVSA-QMMMGPOBSA-N 1 0 245.417 2.299 20 70 BEIDRO Cc1cccc(C(C)(C)NC(=O)CCC[NH3+])c1 ZINC000161162821 179026743 /nfs/dbraw/zinc/02/67/43/179026743.db2.gz SHRGKUZKDLLMNX-UHFFFAOYSA-N 1 0 234.343 2.085 20 70 BEIDRO COC[C@H]([NH2+]C[C@H]1CCO[C@@H]1C(C)C)C1CC1 ZINC000160913361 346469353 /nfs/dbraw/zinc/46/93/53/346469353.db2.gz YRHBKOKWCYKGII-HZSPNIEDSA-N 1 0 241.375 2.062 20 70 BEIDRO Cc1ccccc1[C@H](C)[N@@H+](C)C[C@@H](C)O ZINC000159376200 179334565 /nfs/dbraw/zinc/33/45/65/179334565.db2.gz YPBXWKCPFXEZMY-NEPJUHHUSA-N 1 0 207.317 2.369 20 70 BEIDRO Cc1cnccc1C[NH2+][C@@H]1CCCSC1 ZINC000160594224 179704452 /nfs/dbraw/zinc/70/44/52/179704452.db2.gz VUAXGTUEFGZODE-GFCCVEGCSA-N 1 0 222.357 2.375 20 70 BEIDRO CC(C)NC(=O)C[NH2+][C@@H]1c2ccccc2C[C@@H]1C ZINC000160937873 349340339 /nfs/dbraw/zinc/34/03/39/349340339.db2.gz JILVBKKDPVNSRR-NHYWBVRUSA-N 1 0 246.354 2.034 20 70 BEIDRO C[C@@H]1CN(CCC[NH+]2CCCCC2)CCS1 ZINC000161336501 349424589 /nfs/dbraw/zinc/42/45/89/349424589.db2.gz CKLCOZSXJXFHTI-CYBMUJFWSA-N 1 0 242.432 2.300 20 70 BEIDRO CCSCC[N@H+](C)C1(C(=O)OC)CCCC1 ZINC000159364835 350068729 /nfs/dbraw/zinc/06/87/29/350068729.db2.gz UZFPNYYCFBKLKU-UHFFFAOYSA-N 1 0 245.388 2.157 20 70 BEIDRO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCN ZINC000218191167 350085943 /nfs/dbraw/zinc/08/59/43/350085943.db2.gz BYBPKBHEGSDMQW-VIFPVBQESA-N 1 0 246.276 2.185 20 70 BEIDRO COC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000218541612 350095739 /nfs/dbraw/zinc/09/57/39/350095739.db2.gz LVPNNKLBXGKQGJ-CYBMUJFWSA-N 1 0 205.301 2.155 20 70 BEIDRO Cc1nccn1CCC[N@@H+]1CCCSCC1 ZINC000161476768 180242159 /nfs/dbraw/zinc/24/21/59/180242159.db2.gz YUDWVOKTRBFPAQ-UHFFFAOYSA-N 1 0 239.388 2.021 20 70 BEIDRO CC(=O)NC1CC[NH+](CCC2CCCC2)CC1 ZINC000159870069 351014953 /nfs/dbraw/zinc/01/49/53/351014953.db2.gz BGAHKPLPLPJMEH-UHFFFAOYSA-N 1 0 238.375 2.167 20 70 BEIDRO Cc1ccc(C[C@H]([NH2+]CCN)C(C)C)cc1 ZINC000218278260 363130032 /nfs/dbraw/zinc/13/00/32/363130032.db2.gz NPQOWTVRAUZBBW-AWEZNQCLSA-N 1 0 220.360 2.110 20 70 BEIDRO C[C@@H](CO)C[NH+]1CCC(C(C)(C)C)CC1 ZINC000160952165 538456165 /nfs/dbraw/zinc/45/61/65/538456165.db2.gz SNSRJAKCNIZUDW-LLVKDONJSA-N 1 0 213.365 2.373 20 70 BEIDRO C[C@@H]([NH2+]Cc1ccc(CO)o1)C1CCC1 ZINC000160180460 538883685 /nfs/dbraw/zinc/88/36/85/538883685.db2.gz WKTBYBJWWIARDL-SECBINFHSA-N 1 0 209.289 2.050 20 70 BEIDRO CCn1ccnc1C[N@H+](C)[C@@H](C)C1CC1 ZINC000160854297 358969358 /nfs/dbraw/zinc/96/93/58/358969358.db2.gz CVVLKOMFDHNEPM-JTQLQIEISA-N 1 0 207.321 2.133 20 70 BEIDRO C[C@H](CCC(C)(C)C)NC(=O)[C@@H]1CCCC[NH2+]1 ZINC000159770859 361288726 /nfs/dbraw/zinc/28/87/26/361288726.db2.gz FTMRKTMBMLTEND-NEPJUHHUSA-N 1 0 240.391 2.460 20 70 BEIDRO CCc1csc(N[C@@H]2CCC[NH2+][C@@H]2C)n1 ZINC000160551266 361318839 /nfs/dbraw/zinc/31/88/39/361318839.db2.gz WXZLBAJXBCKTAB-PSASIEDQSA-N 1 0 225.361 2.258 20 70 BEIDRO CC1(C)C[C@H]([NH2+]C2CCSCC2)CCO1 ZINC000160538814 361317634 /nfs/dbraw/zinc/31/76/34/361317634.db2.gz OQDIHADNVZWDAS-LLVKDONJSA-N 1 0 229.389 2.429 20 70 BEIDRO C[C@H](CO)[C@H](C)[NH2+]CC1CCC(C)CC1 ZINC000160706381 361323840 /nfs/dbraw/zinc/32/38/40/361323840.db2.gz DVESHVUWEQEECB-QBHFIFKDSA-N 1 0 213.365 2.419 20 70 BEIDRO CCCCCC(=O)NCC1([NH3+])CCCCC1 ZINC000159553977 201686578 /nfs/dbraw/zinc/68/65/78/201686578.db2.gz FBRZAZHVSZWYJL-UHFFFAOYSA-N 1 0 226.364 2.345 20 70 BEIDRO c1cc(C[NH2+][C@H]2[C@H]3CCO[C@@H]3C23CCC3)ccn1 ZINC000159622474 183353065 /nfs/dbraw/zinc/35/30/65/183353065.db2.gz LWKSHOHKIAFUOL-RDBSUJKOSA-N 1 0 244.338 2.129 20 70 BEIDRO CC[C@H](C(=O)NCC1(CC)CCCC1)[NH+](C)C ZINC000159406436 384065674 /nfs/dbraw/zinc/06/56/74/384065674.db2.gz KSVRAYQCXNSPDI-GFCCVEGCSA-N 1 0 240.391 2.413 20 70 BEIDRO Cc1occc1C[N@H+](C)CCOCC1CC1 ZINC000159569110 384340849 /nfs/dbraw/zinc/34/08/49/384340849.db2.gz CPQMRTMBGHMRMK-UHFFFAOYSA-N 1 0 223.316 2.446 20 70 BEIDRO c1ccc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)nc1 ZINC000159621253 384344674 /nfs/dbraw/zinc/34/46/74/384344674.db2.gz HCQALCFCCICVSB-IHRRRGAJSA-N 1 0 244.338 2.129 20 70 BEIDRO CC[N@H+](CCn1ccnc1)C1CCCC1 ZINC000159750945 384355208 /nfs/dbraw/zinc/35/52/08/384355208.db2.gz RNOXKMGIEGXYGJ-UHFFFAOYSA-N 1 0 207.321 2.148 20 70 BEIDRO C[C@H](CC[NH+](C)C)N[C@@H](C)c1cscn1 ZINC000161178345 384884419 /nfs/dbraw/zinc/88/44/19/384884419.db2.gz YBSZRLQZLWKSLI-ZJUUUORDSA-N 1 0 227.377 2.134 20 70 BEIDRO CC[C@](C)(O)C[N@@H+]1CCS[C@H](C(C)C)C1 ZINC000161325475 384969601 /nfs/dbraw/zinc/96/96/01/384969601.db2.gz QWAOENLXTYWYLC-RYUDHWBXSA-N 1 0 231.405 2.221 20 70 BEIDRO CC(C)[C@H]([NH3+])C(=O)NCCCCC1CCCC1 ZINC000160900954 385922165 /nfs/dbraw/zinc/92/21/65/385922165.db2.gz JKUXOZZPUGSLCU-ZDUSSCGKSA-N 1 0 240.391 2.446 20 70 BEIDRO C[C@@H](NC(=O)[C@H](C)[NH3+])c1ccc(F)cc1Cl ZINC000161149933 386595797 /nfs/dbraw/zinc/59/57/97/386595797.db2.gz ZJSAIKJCTYHHAW-NKWVEPMBSA-N 1 0 244.697 2.004 20 70 BEIDRO CCC([NH3+])(CC)CNC(=O)C[C@@H]1CC[C@H](C)C1 ZINC000160503597 387102529 /nfs/dbraw/zinc/10/25/29/387102529.db2.gz AGDAILRYGGGIMD-NWDGAFQWSA-N 1 0 240.391 2.446 20 70 BEIDRO CC(=O)NC1CCC([NH2+]CCCC(C)C)CC1 ZINC000161254059 387163217 /nfs/dbraw/zinc/16/32/17/387163217.db2.gz XDKXWVMTWMNTEC-UHFFFAOYSA-N 1 0 240.391 2.460 20 70 BEIDRO FCC[NH2+]Cc1cccc2cccnc21 ZINC000159421798 388014599 /nfs/dbraw/zinc/01/45/99/388014599.db2.gz OHBZTDNNWQOSLI-UHFFFAOYSA-N 1 0 204.248 2.294 20 70 BEIDRO CC(C)[N@H+](CCCS(=O)(=O)C(C)C)C1CC1 ZINC000160752115 388086734 /nfs/dbraw/zinc/08/67/34/388086734.db2.gz KIKPIIMWVIEHOY-UHFFFAOYSA-N 1 0 247.404 2.073 20 70 BEIDRO CCCC[C@H](C(=O)OC)[NH+](CC)CC ZINC000160797009 388091828 /nfs/dbraw/zinc/09/18/28/388091828.db2.gz LHEPJBJMGVIHSH-SNVBAGLBSA-N 1 0 201.310 2.060 20 70 BEIDRO CC[C@H](C)N(C)CC[NH2+][C@@H](C)C1(C)CC1 ZINC000160136180 388047956 /nfs/dbraw/zinc/04/79/56/388047956.db2.gz PHXDHPWVIGYQRI-RYUDHWBXSA-N 1 0 212.381 2.495 20 70 BEIDRO COCCCCC[NH2+]Cc1nccs1 ZINC000218169510 388387703 /nfs/dbraw/zinc/38/77/03/388387703.db2.gz QDFQKOYUOZCAQF-UHFFFAOYSA-N 1 0 214.334 2.049 20 70 BEIDRO CC[NH2+]CCNCc1sccc1Cl ZINC000161303149 170115635 /nfs/dbraw/zinc/11/56/35/170115635.db2.gz ODZDOACGTIQRNN-UHFFFAOYSA-N 1 0 218.753 2.101 20 70 BEIDRO CC[NH2+]CCNCc1cc(Cl)ccc1F ZINC000161287952 170115710 /nfs/dbraw/zinc/11/57/10/170115710.db2.gz SQRKBOWZOFAGRZ-UHFFFAOYSA-N 1 0 230.714 2.178 20 70 BEIDRO CCOCC[N@H+](CC)Cc1ccc(C)cn1 ZINC000160085308 170396325 /nfs/dbraw/zinc/39/63/25/170396325.db2.gz IYDCYUDNHNNOJY-UHFFFAOYSA-N 1 0 222.332 2.248 20 70 BEIDRO CC[C@@]1(C)CCCN(C(=O)C2CC[NH2+]CC2)C1 ZINC000160776156 171197867 /nfs/dbraw/zinc/19/78/67/171197867.db2.gz VBGURRMVIXRUBF-AWEZNQCLSA-N 1 0 238.375 2.025 20 70 BEIDRO C[NH2+]CCNCc1ccc(C(C)C)cc1 ZINC000161266165 173356244 /nfs/dbraw/zinc/35/62/44/173356244.db2.gz BEWMOOUPJWEKPJ-UHFFFAOYSA-N 1 0 206.333 2.119 20 70 BEIDRO C[NH2+]C[C@H](C)C(=O)Nc1ncc(C(C)C)s1 ZINC000160894693 173375695 /nfs/dbraw/zinc/37/56/95/173375695.db2.gz LQTOFOSCELANPP-QMMMGPOBSA-N 1 0 241.360 2.061 20 70 BEIDRO C[C@@H](O)C[N@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC000159365591 176014950 /nfs/dbraw/zinc/01/49/50/176014950.db2.gz JOCOCKDZRYQLJY-ZJUUUORDSA-N 1 0 211.280 2.199 20 70 BEIDRO OCC[C@H]1CCCC[N@@H+]1[C@H]1C=CCCC1 ZINC000161159154 323037298 /nfs/dbraw/zinc/03/72/98/323037298.db2.gz WCEYKTYJEBEYEV-QWHCGFSZSA-N 1 0 209.333 2.332 20 70 BEIDRO CC[N@H+](Cc1ccc(C(=O)NC)cc1)C(C)C ZINC000159576524 323038291 /nfs/dbraw/zinc/03/82/91/323038291.db2.gz DFEPGSZMGGEYBZ-UHFFFAOYSA-N 1 0 234.343 2.277 20 70 BEIDRO CC1(C)CCC(C[N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000160336280 323065114 /nfs/dbraw/zinc/06/51/14/323065114.db2.gz YJVJYXTZVVVDEV-GFCCVEGCSA-N 1 0 238.375 2.153 20 70 BEIDRO CCCC1(CNC(=O)C[NH+](CC)CC)CC1 ZINC000160734927 323104327 /nfs/dbraw/zinc/10/43/27/323104327.db2.gz DWJWJAUPKWXZQM-UHFFFAOYSA-N 1 0 226.364 2.025 20 70 BEIDRO C[C@@H]([NH2+]C[C@H]1CCCCO1)c1cscn1 ZINC000161171885 323150017 /nfs/dbraw/zinc/15/00/17/323150017.db2.gz YJUJIOGTQFYETN-NXEZZACHSA-N 1 0 226.345 2.363 20 70 BEIDRO CC(C)C[C@H]([NH3+])C(=O)NCCCC(C)(C)C ZINC000160540283 488142503 /nfs/dbraw/zinc/14/25/03/488142503.db2.gz KBZVDDZMUZMSJB-NSHDSACASA-N 1 0 228.380 2.302 20 70 BEIDRO C[C@@H]1CC[C@H](CC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000160799644 488167086 /nfs/dbraw/zinc/16/70/86/488167086.db2.gz GSAXOZYQIGFUCI-MROQNXINSA-N 1 0 238.375 2.199 20 70 BEIDRO CC[C@@](C)(O)C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000161452531 349452000 /nfs/dbraw/zinc/45/20/00/349452000.db2.gz IVPNHRHASFGJLV-FRRDWIJNSA-N 1 0 211.349 2.269 20 70 BEIDRO CCC[C@H]1CCCN(C(=O)[C@H]2CCCC[NH2+]2)C1 ZINC000161443666 398282235 /nfs/dbraw/zinc/28/22/35/398282235.db2.gz MBRSIGKDYHQFAM-QWHCGFSZSA-N 1 0 238.375 2.167 20 70 BEIDRO COCCCn1c(C)[nH+]c2c1CCCC2 ZINC000160734470 343203583 /nfs/dbraw/zinc/20/35/83/343203583.db2.gz WQVQHLWFVLINIV-UHFFFAOYSA-N 1 0 208.305 2.107 20 70 BEIDRO C[C@@H]1CC[N@H+](CN2CC(C)(C)OC2=O)C[C@@H]1C ZINC000159920451 323053993 /nfs/dbraw/zinc/05/39/93/323053993.db2.gz MPRGXZNCOPYKDU-MNOVXSKESA-N 1 0 240.347 2.153 20 70 BEIDRO CC[N@H+](C)CCNC(=O)C1CCC(C)(C)CC1 ZINC000159419968 323075143 /nfs/dbraw/zinc/07/51/43/323075143.db2.gz UPRASVIIOAIITF-UHFFFAOYSA-N 1 0 240.391 2.271 20 70 BEIDRO CC(C)([NH3+])C(=O)N[C@@H]1CCC[C@H]1c1ccccc1 ZINC000159714082 187301565 /nfs/dbraw/zinc/30/15/65/187301565.db2.gz ZFGDNDLAJQBGGF-QWHCGFSZSA-N 1 0 246.354 2.176 20 70 BEIDRO CCC(CC)[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000217043870 345744201 /nfs/dbraw/zinc/74/42/01/345744201.db2.gz MZPGWAPPNCZIFI-MRVPVSSYSA-N 1 0 213.243 2.078 20 70 BEIDRO Cc1ccc(C[N@H+](C)C[C@H]2CCCOC2)nc1 ZINC000160095477 345797577 /nfs/dbraw/zinc/79/75/77/345797577.db2.gz LWWXSVUHIPQVRA-CYBMUJFWSA-N 1 0 234.343 2.248 20 70 BEIDRO CC[N@H+](CC(=O)NC(C)(C)C)CC(C)(C)C ZINC000160299107 346360618 /nfs/dbraw/zinc/36/06/18/346360618.db2.gz TZMZPMUJWNHPNL-UHFFFAOYSA-N 1 0 228.380 2.269 20 70 BEIDRO COC[C@@H](C)[NH2+]C[C@@H](C1CCCCC1)N(C)C ZINC000160420795 346453017 /nfs/dbraw/zinc/45/30/17/346453017.db2.gz XGGYMGGOFZDACE-OCCSQVGLSA-N 1 0 242.407 2.121 20 70 BEIDRO CC1(C)C[C@H]([NH2+]Cc2cncs2)CCO1 ZINC000160430929 346453302 /nfs/dbraw/zinc/45/33/02/346453302.db2.gz PBHMVRXGWMJXGA-SECBINFHSA-N 1 0 226.345 2.190 20 70 BEIDRO C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1O)c1cscn1 ZINC000161198959 362799528 /nfs/dbraw/zinc/79/95/28/362799528.db2.gz JQXBHYOYZBRUHQ-KKZNHRDASA-N 1 0 226.345 2.097 20 70 BEIDRO Cc1ccsc1C[NH2+]C(C)(C)[C@@H](C)O ZINC000160600811 179547764 /nfs/dbraw/zinc/54/77/64/179547764.db2.gz CHHOHEKGAGJXMQ-SECBINFHSA-N 1 0 213.346 2.306 20 70 BEIDRO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1CCC1CCCC1 ZINC000160529686 349095438 /nfs/dbraw/zinc/09/54/38/349095438.db2.gz HBIFKVZENMOJQH-AAEUAGOBSA-N 1 0 238.375 2.153 20 70 BEIDRO COC[C@H]([NH2+][C@H](CCO)c1ccccc1)C1CC1 ZINC000161107215 349375237 /nfs/dbraw/zinc/37/52/37/349375237.db2.gz KGNOUSHUCSQJIG-CABCVRRESA-N 1 0 249.354 2.125 20 70 BEIDRO Cc1ccc(C)c([C@@H](C)N(C)C(=O)[C@H](C)[NH3+])c1 ZINC000161306761 349419738 /nfs/dbraw/zinc/41/97/38/349419738.db2.gz PIGJQFOAFLSWRD-NWDGAFQWSA-N 1 0 234.343 2.170 20 70 BEIDRO CC(C)[C@H]([NH3+])C(=O)N[C@H](C)CCC(C)(C)C ZINC000161231867 188008608 /nfs/dbraw/zinc/00/86/08/188008608.db2.gz POEANHZTCQPQJR-MNOVXSKESA-N 1 0 228.380 2.301 20 70 BEIDRO CC(C)C[C@H]1CCCCCN1C(=O)[C@H](C)[NH3+] ZINC000161297145 188047897 /nfs/dbraw/zinc/04/78/97/188047897.db2.gz OCAQFAGJNMPXTD-NWDGAFQWSA-N 1 0 226.364 2.151 20 70 BEIDRO C[C@@H]1C[C@H](C)C[N@@H+](C[C@@H](O)C(C)(C)C)C1 ZINC000216870724 134159639 /nfs/dbraw/zinc/15/96/39/134159639.db2.gz PFLAESIFHOKWKB-GRYCIOLGSA-N 1 0 213.365 2.371 20 70 BEIDRO C[C@@H](O)C(C)(C)[NH2+]Cc1ccccc1F ZINC000160598374 361321545 /nfs/dbraw/zinc/32/15/45/361321545.db2.gz KFQGSTKUHIISID-SECBINFHSA-N 1 0 211.280 2.075 20 70 BEIDRO CCC[N@H+](CCO)Cc1cccc2[nH]ccc21 ZINC000161234229 169167660 /nfs/dbraw/zinc/16/76/60/169167660.db2.gz PSWVTAWBTUEUDZ-UHFFFAOYSA-N 1 0 232.327 2.372 20 70 BEIDRO CCC[C@@H]([NH3+])C(=O)N[C@H](C)[C@@H](C)c1ccccc1 ZINC000160893082 169391010 /nfs/dbraw/zinc/39/10/10/169391010.db2.gz BFBPXSJJVGGNAM-YRGRVCCFSA-N 1 0 248.370 2.422 20 70 BEIDRO Cn1cccc1C[NH2+][C@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000159641622 384345871 /nfs/dbraw/zinc/34/58/71/384345871.db2.gz HSKFYXDNTJFDAP-RDBSUJKOSA-N 1 0 246.354 2.072 20 70 BEIDRO C[C@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1ccccn1 ZINC000159373528 384324472 /nfs/dbraw/zinc/32/44/72/384324472.db2.gz PQLLCPSLUQVKSB-RWMBFGLXSA-N 1 0 234.343 2.283 20 70 BEIDRO Cn1cc(C[N@H+](C)CCC(C)(C)C)cn1 ZINC000161038447 384458420 /nfs/dbraw/zinc/45/84/20/384458420.db2.gz LSSWSVSBZFSDGL-UHFFFAOYSA-N 1 0 209.337 2.288 20 70 BEIDRO C[N@H+](CCn1ccnc1)CC1CCCC1 ZINC000161503681 384498089 /nfs/dbraw/zinc/49/80/89/384498089.db2.gz BYEIJEVWVLMZLT-UHFFFAOYSA-N 1 0 207.321 2.005 20 70 BEIDRO COC(C[N@@H+]1CC[C@H](c2ccccc2)[C@@H]1C)OC ZINC000161486915 384494867 /nfs/dbraw/zinc/49/48/67/384494867.db2.gz VJWSJLKWJLBTEK-JSGCOSHPSA-N 1 0 249.354 2.483 20 70 BEIDRO C[N@H+](CCC1CCCC1)[C@H]1CCCCNC1=O ZINC000160297521 384676568 /nfs/dbraw/zinc/67/65/68/384676568.db2.gz RIGJMMMMJZUFFS-ZDUSSCGKSA-N 1 0 238.375 2.167 20 70 BEIDRO C[C@H](NCC(C)(C)[NH+](C)C)c1cscn1 ZINC000161135586 384830744 /nfs/dbraw/zinc/83/07/44/384830744.db2.gz RWBXHIWQIQUUPA-VIFPVBQESA-N 1 0 227.377 2.134 20 70 BEIDRO C[C@@H](NCC(C)(C)[NH+](C)C)c1cscn1 ZINC000161135704 384832288 /nfs/dbraw/zinc/83/22/88/384832288.db2.gz RWBXHIWQIQUUPA-SECBINFHSA-N 1 0 227.377 2.134 20 70 BEIDRO C[C@@H](N[C@@H](C)CC[NH+](C)C)c1cscn1 ZINC000161178455 384882248 /nfs/dbraw/zinc/88/22/48/384882248.db2.gz YBSZRLQZLWKSLI-VHSXEESVSA-N 1 0 227.377 2.134 20 70 BEIDRO C[C@H](CCC(C)(C)C)NC(=O)[C@H]1CCC[NH2+]C1 ZINC000161231605 384945762 /nfs/dbraw/zinc/94/57/62/384945762.db2.gz MNFQUWHMFZXMGW-NEPJUHHUSA-N 1 0 240.391 2.317 20 70 BEIDRO C[C@H]1SCC[N@H+](Cc2cnc(N)s2)[C@@H]1C ZINC000161286949 385658072 /nfs/dbraw/zinc/65/80/72/385658072.db2.gz WNMWYWUSLQKLDE-HTQZYQBOSA-N 1 0 243.401 2.051 20 70 BEIDRO CC(C)C[C@@H]1CCCCCN1C(=O)CC[NH3+] ZINC000161297411 385679871 /nfs/dbraw/zinc/67/98/71/385679871.db2.gz MIDCLLZSURRSKV-LBPRGKRZSA-N 1 0 226.364 2.153 20 70 BEIDRO CC(C)C[C@@H]1CCCCCN1C(=O)[C@H](C)[NH3+] ZINC000161297271 385680297 /nfs/dbraw/zinc/68/02/97/385680297.db2.gz OCAQFAGJNMPXTD-RYUDHWBXSA-N 1 0 226.364 2.151 20 70 BEIDRO CC(C)[C@H](C)[N@H+](C)C[C@@H](O)C(C)(C)C ZINC000216932872 385875314 /nfs/dbraw/zinc/87/53/14/385875314.db2.gz LRWXCGRPLIQRDT-WDEREUQCSA-N 1 0 201.354 2.370 20 70 BEIDRO CCC([NH3+])(CC)CNC(=O)[C@@H]1C[C@]1(C)CC ZINC000160484463 387096813 /nfs/dbraw/zinc/09/68/13/387096813.db2.gz JPDQPDTTXZRNEY-JQWIXIFHSA-N 1 0 226.364 2.056 20 70 BEIDRO CC(C)N(C(=O)[C@H]1CCC[C@@H]([NH3+])C1)C1CCC1 ZINC000160560973 387105510 /nfs/dbraw/zinc/10/55/10/387105510.db2.gz RHBINXUQRXPAJU-NWDGAFQWSA-N 1 0 238.375 2.293 20 70 BEIDRO CC[NH2+]CCNCc1ccc(CC)s1 ZINC000161298313 387185617 /nfs/dbraw/zinc/18/56/17/387185617.db2.gz DVBRVNDMRSLQDR-UHFFFAOYSA-N 1 0 212.362 2.010 20 70 BEIDRO C[C@](O)(C[NH2+][C@H]1CCSC1)c1ccsc1 ZINC000159894183 388037752 /nfs/dbraw/zinc/03/77/52/388037752.db2.gz ACDSZGAIAKKONP-QWRGUYRKSA-N 1 0 243.397 2.051 20 70 BEIDRO CCSCC[NH2+]CC(CC)(CC)C(=O)OC ZINC000159682109 388027330 /nfs/dbraw/zinc/02/73/30/388027330.db2.gz VHFADDVKVHCKTG-UHFFFAOYSA-N 1 0 247.404 2.309 20 70 BEIDRO CC[C@H](C)N(C)CC[NH2+][C@@H](C)CC1CC1 ZINC000160119548 388046066 /nfs/dbraw/zinc/04/60/66/388046066.db2.gz AWFBXDRQPJOYGL-RYUDHWBXSA-N 1 0 212.381 2.495 20 70 BEIDRO CCOC(=O)C[N@H+](C)[C@@H]1CCC[C@@H](C)C1 ZINC000218485980 388583134 /nfs/dbraw/zinc/58/31/34/388583134.db2.gz BTNBSYWLUHFFTI-GHMZBOCLSA-N 1 0 213.321 2.060 20 70 BEIDRO C[C@H](CCC(C)(C)C)NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000159773819 134790057 /nfs/dbraw/zinc/79/00/57/134790057.db2.gz RYUOCXPXTWVVEW-NEPJUHHUSA-N 1 0 240.391 2.460 20 70 BEIDRO CC(C)c1ccc(CCCNC(=O)[C@@H](C)[NH3+])cc1 ZINC000159607521 397764375 /nfs/dbraw/zinc/76/43/75/397764375.db2.gz ODOYEMBGERAECT-GFCCVEGCSA-N 1 0 248.370 2.206 20 70 BEIDRO CCCN(CC)CC[NH2+][C@H]1CS[C@@H](C)C1 ZINC000217645734 411471710 /nfs/dbraw/zinc/47/17/10/411471710.db2.gz OAFQQEZFCSIKFT-NWDGAFQWSA-N 1 0 230.421 2.202 20 70 BEIDRO CC[C@@](C)(O)C[N@@H+]1CCc2ccc(OC)cc2C1 ZINC000160691301 171179322 /nfs/dbraw/zinc/17/93/22/171179322.db2.gz UPOCSJVQQGJWIQ-OAHLLOKOSA-N 1 0 249.354 2.214 20 70 BEIDRO COC[C@H](C)[NH2+]CCC1Cc2ccccc2C1 ZINC000159730971 174547641 /nfs/dbraw/zinc/54/76/41/174547641.db2.gz BBHYCUHBVCNXOH-LBPRGKRZSA-N 1 0 233.355 2.416 20 70 BEIDRO C[C@H]1[NH2+]CCC[C@H]1Nc1ccncc1Cl ZINC000160558984 177396733 /nfs/dbraw/zinc/39/67/33/177396733.db2.gz NZDXKPBVQXQUJY-PSASIEDQSA-N 1 0 225.723 2.287 20 70 BEIDRO CC(C)[NH2+]CCC(=O)N1CCCC[C@@H]1C(C)C ZINC000160424358 323066225 /nfs/dbraw/zinc/06/62/25/323066225.db2.gz FPNFSZMEQCGHMI-CYBMUJFWSA-N 1 0 240.391 2.412 20 70 BEIDRO Cc1ncccc1C[NH2+][C@H]1CCOC(C)(C)C1 ZINC000160541933 323070642 /nfs/dbraw/zinc/07/06/42/323070642.db2.gz DSYFACVEYRHFOO-ZDUSSCGKSA-N 1 0 234.343 2.437 20 70 BEIDRO CCn1ccnc1C[N@@H+]1CCC[C@H](C)C1 ZINC000160672750 323102489 /nfs/dbraw/zinc/10/24/89/323102489.db2.gz OVUNMLGTYNGZFZ-NSHDSACASA-N 1 0 207.321 2.135 20 70 BEIDRO CN(Cc1ccnn1C)Cc1ccc(F)cc1 ZINC000161148470 323149260 /nfs/dbraw/zinc/14/92/60/323149260.db2.gz UQYOZQVWUGPYQH-UHFFFAOYSA-N 1 0 233.290 2.191 20 70 BEIDRO CC(C)[N@H+](C)CCN[C@@H](C)c1cscn1 ZINC000161182728 323150914 /nfs/dbraw/zinc/15/09/14/323150914.db2.gz OVKVFQLKGNAMDD-JTQLQIEISA-N 1 0 227.377 2.134 20 70 BEIDRO Cc1ccsc1C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000160964973 488182824 /nfs/dbraw/zinc/18/28/24/488182824.db2.gz UHEYAGJJMAWSBZ-UWVGGRQHSA-N 1 0 238.356 2.056 20 70 BEIDRO Cc1ccsc1C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000160965063 488182993 /nfs/dbraw/zinc/18/29/93/488182993.db2.gz UHEYAGJJMAWSBZ-NXEZZACHSA-N 1 0 238.356 2.056 20 70 BEIDRO CC[N@@H+](Cc1cccs1)C[C@@H](C)CO ZINC000160907486 538913195 /nfs/dbraw/zinc/91/31/95/538913195.db2.gz NHSRLAAEQYTKCM-SNVBAGLBSA-N 1 0 213.346 2.198 20 70 BEIDRO Cc1noc(C)c1CC[N@@H+]1CCCSCC1 ZINC000161487082 349463776 /nfs/dbraw/zinc/46/37/76/349463776.db2.gz IOOUWSXPYDVJGB-UHFFFAOYSA-N 1 0 240.372 2.273 20 70 BEIDRO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1CCC1CCCC1 ZINC000160529810 136222128 /nfs/dbraw/zinc/22/21/28/136222128.db2.gz HBIFKVZENMOJQH-DGCLKSJQSA-N 1 0 238.375 2.153 20 70 BEIDRO CCC[NH2+]CCNCc1ccc(CC)s1 ZINC000161341339 343204805 /nfs/dbraw/zinc/20/48/05/343204805.db2.gz KWRMXWUJLXSLFD-UHFFFAOYSA-N 1 0 226.389 2.400 20 70 BEIDRO c1coc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1 ZINC000159521780 187301546 /nfs/dbraw/zinc/30/15/46/187301546.db2.gz SVNSCYHANHXNSE-XQQFMLRXSA-N 1 0 233.311 2.327 20 70 BEIDRO C[C@H]([NH2+]CCO)c1cccc(-c2ccncc2)c1 ZINC000159723812 345495966 /nfs/dbraw/zinc/49/59/66/345495966.db2.gz LOZHGMIIFSFNBA-LBPRGKRZSA-N 1 0 242.322 2.392 20 70 BEIDRO CC(C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)=C1CCCC1 ZINC000159941424 345700908 /nfs/dbraw/zinc/70/09/08/345700908.db2.gz NWFRMKMXBNUOFT-OKILXGFUSA-N 1 0 248.370 2.230 20 70 BEIDRO CC(C)CC[C@H](NC(=O)[C@@H](C)[NH3+])C(C)(C)C ZINC000160071636 345793272 /nfs/dbraw/zinc/79/32/72/345793272.db2.gz XCEGSDJPJSEMHF-MNOVXSKESA-N 1 0 228.380 2.301 20 70 BEIDRO CC[C@](C)(O)C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000161452395 346205959 /nfs/dbraw/zinc/20/59/59/346205959.db2.gz IVPNHRHASFGJLV-XQQFMLRXSA-N 1 0 211.349 2.269 20 70 BEIDRO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1CCC1CCCC1 ZINC000160529945 349090505 /nfs/dbraw/zinc/09/05/05/349090505.db2.gz HBIFKVZENMOJQH-WCQYABFASA-N 1 0 238.375 2.153 20 70 BEIDRO C[C@H](O)C(C)(C)[NH2+]Cc1ccccc1F ZINC000160598241 349263828 /nfs/dbraw/zinc/26/38/28/349263828.db2.gz KFQGSTKUHIISID-VIFPVBQESA-N 1 0 211.280 2.075 20 70 BEIDRO c1nc2c(n1CC[NH+]1CCCCC1)CCCC2 ZINC000160723123 349313175 /nfs/dbraw/zinc/31/31/75/349313175.db2.gz FOBJYJZWHSIXHS-UHFFFAOYSA-N 1 0 233.359 2.248 20 70 BEIDRO CC(C)N(C(=O)[C@@H]1CCC[C@H]([NH3+])C1)C1CCC1 ZINC000160560590 188047555 /nfs/dbraw/zinc/04/75/55/188047555.db2.gz RHBINXUQRXPAJU-NEPJUHHUSA-N 1 0 238.375 2.293 20 70 BEIDRO CCCC[C@H](CC)CC(=O)NCC(C)(C)[NH3+] ZINC000160006185 353252325 /nfs/dbraw/zinc/25/23/25/353252325.db2.gz QQDNCYOWQWRPLW-NSHDSACASA-N 1 0 228.380 2.446 20 70 BEIDRO C[C@H]([NH2+]Cc1ccc(CO)o1)C1CCC1 ZINC000160180338 538456048 /nfs/dbraw/zinc/45/60/48/538456048.db2.gz WKTBYBJWWIARDL-VIFPVBQESA-N 1 0 209.289 2.050 20 70 BEIDRO CSC[C@H](CCO)[NH2+][C@@H](C)C1CCCC1 ZINC000160380066 200801647 /nfs/dbraw/zinc/80/16/47/200801647.db2.gz BAUFFKRCFNWUDY-JQWIXIFHSA-N 1 0 231.405 2.269 20 70 BEIDRO FC(F)(F)c1ncc(C[NH2+]C2CC2)s1 ZINC000159600660 361260440 /nfs/dbraw/zinc/26/04/40/361260440.db2.gz DMSVIEBSHMHRPI-UHFFFAOYSA-N 1 0 222.235 2.414 20 70 BEIDRO C[C@@H](CO)[C@H](C)[NH2+]CC1CCC(C)CC1 ZINC000160706143 361324088 /nfs/dbraw/zinc/32/40/88/361324088.db2.gz DVESHVUWEQEECB-ZFQMDJOTSA-N 1 0 213.365 2.419 20 70 BEIDRO CN1CCC[C@@H](C[N@H+](C)C2CCCC2)C1 ZINC000161321251 364684138 /nfs/dbraw/zinc/68/41/38/364684138.db2.gz OWAMQNRFBQNQKB-GFCCVEGCSA-N 1 0 210.365 2.203 20 70 BEIDRO CC(C)[C@@H](C)CC(=O)NCC1([NH3+])CCCCC1 ZINC000159763525 201690776 /nfs/dbraw/zinc/69/07/76/201690776.db2.gz LGSALWJFGHOVQY-LBPRGKRZSA-N 1 0 240.391 2.446 20 70 BEIDRO OC1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H]1C=CCCC1 ZINC000161164817 183031867 /nfs/dbraw/zinc/03/18/67/183031867.db2.gz CQQCWEMEPYGNNX-ACJTYDJDSA-N 1 0 207.317 2.083 20 70 BEIDRO CCC[C@H]([NH3+])C(=O)N[C@H](C)CCC(C)(C)C ZINC000161231007 169502647 /nfs/dbraw/zinc/50/26/47/169502647.db2.gz QHHNRYFLDKSPPM-MNOVXSKESA-N 1 0 228.380 2.445 20 70 BEIDRO C[C@H](O)C[N@H+](C)[C@@H](C)c1ccc(F)cc1F ZINC000159565340 384342691 /nfs/dbraw/zinc/34/26/91/384342691.db2.gz IXNAYEJFHBJHHZ-IUCAKERBSA-N 1 0 229.270 2.338 20 70 BEIDRO CC[C@H]([NH3+])C(=O)N[C@H]1CCC[C@@H]1c1ccccc1 ZINC000159719926 384352719 /nfs/dbraw/zinc/35/27/19/384352719.db2.gz KWMQODOZKGMKHI-RDBSUJKOSA-N 1 0 246.354 2.176 20 70 BEIDRO c1cn(CC[N@@H+]2CC[C@H](c3ccccc3)C2)cn1 ZINC000159783767 384354381 /nfs/dbraw/zinc/35/43/81/384354381.db2.gz KECQYCBUTQAQNZ-HNNXBMFYSA-N 1 0 241.338 2.373 20 70 BEIDRO c1cn(CC[N@@H+]2CC[C@@H](c3ccccc3)C2)cn1 ZINC000159783621 384356380 /nfs/dbraw/zinc/35/63/80/384356380.db2.gz KECQYCBUTQAQNZ-OAHLLOKOSA-N 1 0 241.338 2.373 20 70 BEIDRO CCC([NH3+])(CC)CNC(=O)C[C@H]1CC[C@H](C)C1 ZINC000160503728 384417620 /nfs/dbraw/zinc/41/76/20/384417620.db2.gz AGDAILRYGGGIMD-RYUDHWBXSA-N 1 0 240.391 2.446 20 70 BEIDRO CCc1ccccc1C(=O)NCC[NH+](CC)CC ZINC000160553075 384420411 /nfs/dbraw/zinc/42/04/11/384420411.db2.gz HCGYGLKJMODZBN-UHFFFAOYSA-N 1 0 248.370 2.321 20 70 BEIDRO CC(C)[C@H]([NH3+])C(=O)N[C@H](C)[C@@H](C)c1ccccc1 ZINC000160893894 384447230 /nfs/dbraw/zinc/44/72/30/384447230.db2.gz KYDXVOMPPKTLMN-BZPMIXESSA-N 1 0 248.370 2.278 20 70 BEIDRO CCc1cc(=O)[nH]c(C[N@H+]2CCC[C@@H](CC)C2)n1 ZINC000160819203 384436995 /nfs/dbraw/zinc/43/69/95/384436995.db2.gz FSHVVCJXNSRFMU-LLVKDONJSA-N 1 0 249.358 2.367 20 70 BEIDRO CC[C@H]([NH3+])C(=O)N[C@H](C)c1cccc(C)c1C ZINC000160835036 384440867 /nfs/dbraw/zinc/44/08/67/384440867.db2.gz MFPHHCGMEVFVPJ-YPMHNXCESA-N 1 0 234.343 2.218 20 70 BEIDRO C[C@@H](C[NH+](C)C)Nc1cccc(C(F)(F)F)n1 ZINC000161115818 384463033 /nfs/dbraw/zinc/46/30/33/384463033.db2.gz DNDVXIDEYCDFCR-QMMMGPOBSA-N 1 0 247.264 2.462 20 70 BEIDRO COC(C[N@@H+]1CC[C@@H](c2ccccc2)[C@@H]1C)OC ZINC000161486673 384495817 /nfs/dbraw/zinc/49/58/17/384495817.db2.gz VJWSJLKWJLBTEK-GXTWGEPZSA-N 1 0 249.354 2.483 20 70 BEIDRO CC[C@@H]1CCCC[C@H]1[NH2+]CCCNC(C)=O ZINC000161409873 385017066 /nfs/dbraw/zinc/01/70/66/385017066.db2.gz FQEMLBQJJYINHU-CHWSQXEVSA-N 1 0 226.364 2.071 20 70 BEIDRO CCC[C@H]1CCCN(C(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000161448323 386046842 /nfs/dbraw/zinc/04/68/42/386046842.db2.gz VMJUVFKUDRQMDC-STQMWFEESA-N 1 0 238.375 2.167 20 70 BEIDRO CCC[C@H]([NH3+])C(=O)N[C@H](C)[C@@H](C)c1ccccc1 ZINC000160892952 386525909 /nfs/dbraw/zinc/52/59/09/386525909.db2.gz BFBPXSJJVGGNAM-BZPMIXESSA-N 1 0 248.370 2.422 20 70 BEIDRO C[C@@H](CCC(C)(C)C)NC(=O)C(C)(C)[NH3+] ZINC000161229060 386611576 /nfs/dbraw/zinc/61/15/76/386611576.db2.gz LSNLSKHJTZFRNE-VIFPVBQESA-N 1 0 214.353 2.055 20 70 BEIDRO CCC([NH3+])(CC)CNC(=O)[C@H]1C[C@@]1(C)CC ZINC000160484086 387098062 /nfs/dbraw/zinc/09/80/62/387098062.db2.gz JPDQPDTTXZRNEY-ZYHUDNBSSA-N 1 0 226.364 2.056 20 70 BEIDRO CC[C@]1(C)CCCN(C(=O)C2CC[NH2+]CC2)C1 ZINC000160776047 387122299 /nfs/dbraw/zinc/12/22/99/387122299.db2.gz VBGURRMVIXRUBF-CQSZACIVSA-N 1 0 238.375 2.025 20 70 BEIDRO CSCCC[NH2+]Cc1cc(O)cc(F)c1 ZINC000159602300 388023233 /nfs/dbraw/zinc/02/32/33/388023233.db2.gz HDJQTGHJKJCQTA-UHFFFAOYSA-N 1 0 229.320 2.374 20 70 BEIDRO CC[N@@H+](CCC(=O)OC)CCC1CCCC1 ZINC000159851595 388035503 /nfs/dbraw/zinc/03/55/03/388035503.db2.gz GNXGOJBMKFAMTL-UHFFFAOYSA-N 1 0 227.348 2.452 20 70 BEIDRO CC(C)[C@H](C)CC(=O)NCC1([NH3+])CCCCC1 ZINC000159763653 388029788 /nfs/dbraw/zinc/02/97/88/388029788.db2.gz LGSALWJFGHOVQY-GFCCVEGCSA-N 1 0 240.391 2.446 20 70 BEIDRO CC(C)S(=O)(=O)CCC[N@@H+]1CCCC[C@@H]1C ZINC000160497040 388070376 /nfs/dbraw/zinc/07/03/76/388070376.db2.gz AANOHBVRWCPZOM-LBPRGKRZSA-N 1 0 247.404 2.074 20 70 BEIDRO Cc1ccsc1C[NH2+]C(C)(C)[C@H](C)O ZINC000160600955 388077193 /nfs/dbraw/zinc/07/71/93/388077193.db2.gz CHHOHEKGAGJXMQ-VIFPVBQESA-N 1 0 213.346 2.306 20 70 BEIDRO C[C@@H](O)C(C)(C)[NH2+]Cc1ccc(Cl)o1 ZINC000160627183 388079904 /nfs/dbraw/zinc/07/99/04/388079904.db2.gz GUCPIARMJXUWPO-SSDOTTSWSA-N 1 0 217.696 2.182 20 70 BEIDRO C[C@@H]([NH3+])C(=O)N[C@H](C)c1ccc(F)cc1Cl ZINC000161150803 388627239 /nfs/dbraw/zinc/62/72/39/388627239.db2.gz ZJSAIKJCTYHHAW-RNFRBKRXSA-N 1 0 244.697 2.004 20 70 BEIDRO CC[C@@H](C)C[N@H+](C)C[C@@H](O)C(C)(C)C ZINC000216913197 134177620 /nfs/dbraw/zinc/17/76/20/134177620.db2.gz GFJIRHHIOIRCIY-GHMZBOCLSA-N 1 0 201.354 2.371 20 70 BEIDRO CC1CC[NH+](CCNc2cccc(F)n2)CC1 ZINC000218120778 168181489 /nfs/dbraw/zinc/18/14/89/168181489.db2.gz HPTCGVGMARFZIV-UHFFFAOYSA-N 1 0 237.322 2.365 20 70 BEIDRO CCc1ncnc(N2CCc3c[nH+]ccc32)c1F ZINC000160371103 172032168 /nfs/dbraw/zinc/03/21/68/172032168.db2.gz QSOVIOAQDDNKJX-UHFFFAOYSA-N 1 0 244.273 2.267 20 70 BEIDRO C[NH2+]CCNCc1cccc(Cl)c1Cl ZINC000161284009 173355854 /nfs/dbraw/zinc/35/58/54/173355854.db2.gz ZDKVAGASQDEHET-UHFFFAOYSA-N 1 0 233.142 2.302 20 70 BEIDRO C[C@@H]1[NH2+]CCC[C@H]1Nc1ncccc1Cl ZINC000160545635 176460309 /nfs/dbraw/zinc/46/03/09/176460309.db2.gz WDFFLRDTXYBHCF-WCBMZHEXSA-N 1 0 225.723 2.287 20 70 BEIDRO C[C@H](CC[NH+](C)C)N[C@H](C)c1cscn1 ZINC000161178573 176626219 /nfs/dbraw/zinc/62/62/19/176626219.db2.gz YBSZRLQZLWKSLI-NXEZZACHSA-N 1 0 227.377 2.134 20 70 BEIDRO C[C@H]([NH2+][C@H](CCO)c1ccccc1)[C@@H]1CCOC1 ZINC000160973226 176917093 /nfs/dbraw/zinc/91/70/93/176917093.db2.gz XXIJCGRCYYMBED-NWANDNLSSA-N 1 0 249.354 2.125 20 70 BEIDRO C[C@@H]1C[C@H](C)[N@H+](Cc2cccc(N)c2)C1 ZINC000160517735 177316949 /nfs/dbraw/zinc/31/69/49/177316949.db2.gz FGHFUURMSVFHRF-MNOVXSKESA-N 1 0 204.317 2.499 20 70 BEIDRO Cc1c(C[NH2+]CCC(C)(C)C)cnn1C ZINC000159837798 177591345 /nfs/dbraw/zinc/59/13/45/177591345.db2.gz DIVZTPJYNGHZQV-UHFFFAOYSA-N 1 0 209.337 2.254 20 70 BEIDRO CCCC[NH+](CCCC)Cc1nncn1C ZINC000160756633 323106053 /nfs/dbraw/zinc/10/60/53/323106053.db2.gz YPNUMFHOFLPOKL-UHFFFAOYSA-N 1 0 224.352 2.217 20 70 BEIDRO CCCCC[N@H+](Cc1nncn1C)C(C)C ZINC000160772863 323134685 /nfs/dbraw/zinc/13/46/85/323134685.db2.gz NYRYEMPLXDZACW-UHFFFAOYSA-N 1 0 224.352 2.216 20 70 BEIDRO CCCn1c(C)nnc1C[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000161024444 323143541 /nfs/dbraw/zinc/14/35/41/323143541.db2.gz PLRAJGDMLYKIQW-CHWSQXEVSA-N 1 0 248.374 2.228 20 70 BEIDRO CC(C)[N@H+](C)CCN[C@H](C)c1cscn1 ZINC000161182831 323150946 /nfs/dbraw/zinc/15/09/46/323150946.db2.gz OVKVFQLKGNAMDD-SNVBAGLBSA-N 1 0 227.377 2.134 20 70 BEIDRO CC(C)Cc1ccc(C(=O)N2CC[C@@H]([NH3+])C2)cc1 ZINC000160183204 488112723 /nfs/dbraw/zinc/11/27/23/488112723.db2.gz RLVJHVYRWWAOHD-CQSZACIVSA-N 1 0 246.354 2.058 20 70 BEIDRO CCC[C@@H]1CCCN(C(=O)[C@H]([NH3+])CC(C)C)C1 ZINC000161443023 487497494 /nfs/dbraw/zinc/49/74/94/487497494.db2.gz YBFUMRXUHNHRIJ-CHWSQXEVSA-N 1 0 240.391 2.399 20 70 BEIDRO CC[N@H+](CCCCS(C)(=O)=O)C1CCCC1 ZINC000161467978 538915675 /nfs/dbraw/zinc/91/56/75/538915675.db2.gz HHDCQVMOEDNVNC-UHFFFAOYSA-N 1 0 247.404 2.076 20 70 BEIDRO CCN(C[C@@H](C)CO)c1cccc(C)c1 ZINC000160970024 538913516 /nfs/dbraw/zinc/91/35/16/538913516.db2.gz WYIAEAZEEAUWHH-GFCCVEGCSA-N 1 0 207.317 2.450 20 70 BEIDRO COC[C@H]([NH2+]C[C@@](C)(O)CCC(C)C)C(C)C ZINC000159410863 136214372 /nfs/dbraw/zinc/21/43/72/136214372.db2.gz MXLUVMQSGBDBOX-KBPBESRZSA-N 1 0 245.407 2.434 20 70 BEIDRO CCCC[C@@H](C(=O)OC)[N@H+](CC)CCC ZINC000161012659 136226573 /nfs/dbraw/zinc/22/65/73/136226573.db2.gz SCCRTAHUBOORCF-NSHDSACASA-N 1 0 215.337 2.450 20 70 BEIDRO CCC[C@H]1CCCN(C(=O)[C@@H]([NH3+])CC(C)C)C1 ZINC000161443403 398282576 /nfs/dbraw/zinc/28/25/76/398282576.db2.gz YBFUMRXUHNHRIJ-STQMWFEESA-N 1 0 240.391 2.399 20 70 BEIDRO CCC[C@H](C)[NH2+][C@H]1CCN2CCCC[C@@H]12 ZINC000217670780 136278118 /nfs/dbraw/zinc/27/81/18/136278118.db2.gz XCYGECZFOVREQK-AVGNSLFASA-N 1 0 210.365 2.391 20 70 BEIDRO COC[C@H](C)[NH2+]C[C@@H](C1CCCCC1)N(C)C ZINC000160420667 323066294 /nfs/dbraw/zinc/06/62/94/323066294.db2.gz XGGYMGGOFZDACE-JSGCOSHPSA-N 1 0 242.407 2.121 20 70 BEIDRO COC[C@H]([NH2+]C[C@](C)(O)CCC(C)C)C1CC1 ZINC000159445221 345434307 /nfs/dbraw/zinc/43/43/07/345434307.db2.gz KONXEGFIHJMPNH-UONOGXRCSA-N 1 0 243.391 2.188 20 70 BEIDRO CC(C)[C@@H](c1ccccc1)N(C)C(=O)CC[NH3+] ZINC000159755744 345516403 /nfs/dbraw/zinc/51/64/03/345516403.db2.gz NPVAZSJRSPRQGA-AWEZNQCLSA-N 1 0 234.343 2.191 20 70 BEIDRO C[C@@H]([NH2+]C1CCC(O)CC1)c1cscn1 ZINC000161130950 323148785 /nfs/dbraw/zinc/14/87/85/323148785.db2.gz FZJQJIFPNXGLQO-XNWIYYODSA-N 1 0 226.345 2.097 20 70 BEIDRO C[C@@H]([NH3+])C(=O)N[C@H](C)CCC1CCCCC1 ZINC000160914573 349338377 /nfs/dbraw/zinc/33/83/77/349338377.db2.gz SZFLCAHTFIWDDR-GHMZBOCLSA-N 1 0 226.364 2.199 20 70 BEIDRO COC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000218541689 350095966 /nfs/dbraw/zinc/09/59/66/350095966.db2.gz LVPNNKLBXGKQGJ-ZDUSSCGKSA-N 1 0 205.301 2.155 20 70 BEIDRO Cc1nccn1CCC[NH+]1CCCCC1 ZINC000160037778 180239903 /nfs/dbraw/zinc/23/99/03/180239903.db2.gz PHGYUUGEISGDDF-UHFFFAOYSA-N 1 0 207.321 2.068 20 70 BEIDRO C[C@H]([NH2+]CC[C@H]1CCCO1)c1cscn1 ZINC000161152900 538110697 /nfs/dbraw/zinc/11/06/97/538110697.db2.gz SOQYGRULYKBEHS-VHSXEESVSA-N 1 0 226.345 2.363 20 70 BEIDRO CCn1ccnc1C[NH2+][C@H](C)C1CCC1 ZINC000160175965 538883259 /nfs/dbraw/zinc/88/32/59/538883259.db2.gz CVPNYKYBXKOPIE-SNVBAGLBSA-N 1 0 207.321 2.181 20 70 BEIDRO OC[C@H]1CCCC[N@@H+]1CCC1CCCC1 ZINC000159947064 361296356 /nfs/dbraw/zinc/29/63/56/361296356.db2.gz FSNVBXRKQWCLBB-CYBMUJFWSA-N 1 0 211.349 2.414 20 70 BEIDRO CC(C)CCC(=O)NCC1([NH3+])CCCCC1 ZINC000159602137 201685629 /nfs/dbraw/zinc/68/56/29/201685629.db2.gz JSFBKRSFMKFJKK-UHFFFAOYSA-N 1 0 226.364 2.200 20 70 BEIDRO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H](O)C2)C1 ZINC000217633804 371989635 /nfs/dbraw/zinc/98/96/35/371989635.db2.gz NVSCTBZAOHAOMG-YVECIDJPSA-N 1 0 211.349 2.458 20 70 BEIDRO c1cc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)ccn1 ZINC000159622336 183353332 /nfs/dbraw/zinc/35/33/32/183353332.db2.gz LWKSHOHKIAFUOL-MCIONIFRSA-N 1 0 244.338 2.129 20 70 BEIDRO CCCOC(=O)[C@H](C)N(C)Cc1ccoc1C ZINC000159570015 169299867 /nfs/dbraw/zinc/29/98/67/169299867.db2.gz ATWKJVVVFAXSBP-JTQLQIEISA-N 1 0 239.315 2.362 20 70 BEIDRO CCC[C@@H](C)C(=O)N1CCC[N@H+](CCC)CC1 ZINC000160386863 169348312 /nfs/dbraw/zinc/34/83/12/169348312.db2.gz LLJIXKGCQIETKE-CYBMUJFWSA-N 1 0 240.391 2.367 20 70 BEIDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000159460960 384205162 /nfs/dbraw/zinc/20/51/62/384205162.db2.gz ZDIURVDBDRBVQU-NSHDSACASA-N 1 0 242.363 2.195 20 70 BEIDRO c1coc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c1 ZINC000159522051 384336733 /nfs/dbraw/zinc/33/67/33/384336733.db2.gz SVNSCYHANHXNSE-UPJWGTAASA-N 1 0 233.311 2.327 20 70 BEIDRO C[C@H](O)C[N@H+](C)[C@@H](C)c1cccc(F)c1 ZINC000159365857 384324535 /nfs/dbraw/zinc/32/45/35/384324535.db2.gz MYBSREXHRILFPA-UWVGGRQHSA-N 1 0 211.280 2.199 20 70 BEIDRO COC(C[N@@H+]1C[C@@H](c2ccccc2)C[C@@H]1C)OC ZINC000161128900 384467229 /nfs/dbraw/zinc/46/72/29/384467229.db2.gz GIBINJGIGLOFIE-JSGCOSHPSA-N 1 0 249.354 2.483 20 70 BEIDRO C[C@@H]([NH3+])C(=O)Nc1ccc(CC(F)(F)F)cc1 ZINC000160300927 384691286 /nfs/dbraw/zinc/69/12/86/384691286.db2.gz NSJLZAUVBWZUQZ-SSDOTTSWSA-N 1 0 246.232 2.077 20 70 BEIDRO C[C@@H]([NH2+]C[C@H]1CCCOC1)c1cscn1 ZINC000161160342 384858227 /nfs/dbraw/zinc/85/82/27/384858227.db2.gz SBMABHBEKLGUGY-NXEZZACHSA-N 1 0 226.345 2.220 20 70 BEIDRO COCC[C@H](C)[NH2+][C@H](C)c1cscn1 ZINC000161181457 384893650 /nfs/dbraw/zinc/89/36/50/384893650.db2.gz BBQLAXCODXENAE-DTWKUNHWSA-N 1 0 214.334 2.219 20 70 BEIDRO C[C@@H]([NH2+][C@@H](C)c1cscn1)[C@@H]1CCOC1 ZINC000161212488 384924917 /nfs/dbraw/zinc/92/49/17/384924917.db2.gz SUBGUORJTNCTKH-KXUCPTDWSA-N 1 0 226.345 2.219 20 70 BEIDRO CC[C@@H](CCO)C[NH2+][C@H](C)c1cscn1 ZINC000161221442 384930643 /nfs/dbraw/zinc/93/06/43/384930643.db2.gz YEMOIERIDUNENU-ZJUUUORDSA-N 1 0 228.361 2.202 20 70 BEIDRO CC[C@H]1CCCC[C@@H]1[NH2+]CCCNC(C)=O ZINC000161409741 385018562 /nfs/dbraw/zinc/01/85/62/385018562.db2.gz FQEMLBQJJYINHU-STQMWFEESA-N 1 0 226.364 2.071 20 70 BEIDRO CCC1(CC)[C@@H]([NH2+][C@@H](C)COC)C[C@@H]1OC ZINC000160120519 386035897 /nfs/dbraw/zinc/03/58/97/386035897.db2.gz SBYSBTCPBNZYGM-SRVKXCTJSA-N 1 0 229.364 2.205 20 70 BEIDRO CCC[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000161445776 386040356 /nfs/dbraw/zinc/04/03/56/386040356.db2.gz MBRSIGKDYHQFAM-STQMWFEESA-N 1 0 238.375 2.167 20 70 BEIDRO CC[C@H](Cc1ccccc1)N(CC)C(=O)C[NH2+]C ZINC000161435545 386916007 /nfs/dbraw/zinc/91/60/07/386916007.db2.gz SEXKJQIIHZATHW-CQSZACIVSA-N 1 0 248.370 2.076 20 70 BEIDRO C[C@@H]([NH2+]CCc1cscn1)c1cscn1 ZINC000161228044 387155651 /nfs/dbraw/zinc/15/56/51/387155651.db2.gz FPBPAYSDCLEUNU-MRVPVSSYSA-N 1 0 239.369 2.493 20 70 BEIDRO C(C[NH+]1CCCCC1)C[N@@H+]1CCCSCC1 ZINC000161460103 387218863 /nfs/dbraw/zinc/21/88/63/387218863.db2.gz HIIXWWPTYSVGAK-UHFFFAOYSA-N 1 0 242.432 2.301 20 70 BEIDRO Cc1cnccc1C[NH2+][C@H]1CCCSC1 ZINC000160594293 388078076 /nfs/dbraw/zinc/07/80/76/388078076.db2.gz VUAXGTUEFGZODE-LBPRGKRZSA-N 1 0 222.357 2.375 20 70 BEIDRO C[C@H](O)C(C)(C)[NH2+]Cc1ccc(Cl)o1 ZINC000160627060 388079293 /nfs/dbraw/zinc/07/92/93/388079293.db2.gz GUCPIARMJXUWPO-ZETCQYMHSA-N 1 0 217.696 2.182 20 70 BEIDRO CCOC(=O)C[N@H+](C)[C@H]1CCC[C@@H](C)C1 ZINC000218486057 388583218 /nfs/dbraw/zinc/58/32/18/388583218.db2.gz BTNBSYWLUHFFTI-MNOVXSKESA-N 1 0 213.321 2.060 20 70 BEIDRO COC(=O)[C@@H](C)C[N@H+](C)[C@@H](C)CC(C)C ZINC000218118363 134251492 /nfs/dbraw/zinc/25/14/92/134251492.db2.gz CETPAMKWORQJIZ-QWRGUYRKSA-N 1 0 215.337 2.162 20 70 BEIDRO COC[C@@H]([NH2+]C[C@](C)(O)CCC(C)C)C1CC1 ZINC000159445490 134775335 /nfs/dbraw/zinc/77/53/35/134775335.db2.gz KONXEGFIHJMPNH-ZIAGYGMSSA-N 1 0 243.391 2.188 20 70 BEIDRO CC(C)c1ccc(CCCNC(=O)[C@H](C)[NH3+])cc1 ZINC000159607365 397764526 /nfs/dbraw/zinc/76/45/26/397764526.db2.gz ODOYEMBGERAECT-LBPRGKRZSA-N 1 0 248.370 2.206 20 70 BEIDRO CC[NH2+]CCNCc1cc(C)ccc1C ZINC000161287141 170115753 /nfs/dbraw/zinc/11/57/53/170115753.db2.gz XXJLXUACZXBKPK-UHFFFAOYSA-N 1 0 206.333 2.003 20 70 BEIDRO CC[NH2+]CCNCc1ccc(Cl)cc1 ZINC000161286571 170115840 /nfs/dbraw/zinc/11/58/40/170115840.db2.gz BFJJZKWAHSNYJI-UHFFFAOYSA-N 1 0 212.724 2.039 20 70 BEIDRO CC[C@@H]1CC[N@H+](Cc2ccc(C(=O)OC)cn2)C1 ZINC000160603762 171012535 /nfs/dbraw/zinc/01/25/35/171012535.db2.gz LHOXSKQCVYLWGH-LLVKDONJSA-N 1 0 248.326 2.100 20 70 BEIDRO C[C@H]1C[C@H]1C[NH2+]Cc1cc(O)cc(F)c1 ZINC000159615022 177381951 /nfs/dbraw/zinc/38/19/51/177381951.db2.gz LITRFSQJZWOCAO-WPRPVWTQSA-N 1 0 209.264 2.277 20 70 BEIDRO COC[C@H](C)[NH2+]C[C@H](C1CCCCC1)N(C)C ZINC000160420909 323066306 /nfs/dbraw/zinc/06/63/06/323066306.db2.gz XGGYMGGOFZDACE-GXTWGEPZSA-N 1 0 242.407 2.121 20 70 BEIDRO CC(C)OC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000160557349 323071529 /nfs/dbraw/zinc/07/15/29/323071529.db2.gz XYVOCZCURZKBEH-GFCCVEGCSA-N 1 0 240.347 2.092 20 70 BEIDRO CCCC[C@H](NC(=O)[C@@H]([NH3+])CC)C1CCC1 ZINC000160780942 323134742 /nfs/dbraw/zinc/13/47/42/323134742.db2.gz AGURBFVPXCTILX-RYUDHWBXSA-N 1 0 226.364 2.199 20 70 BEIDRO CCCC1(C[NH2+][C@@H](C(N)=O)c2ccccc2)CC1 ZINC000160774388 323134769 /nfs/dbraw/zinc/13/47/69/323134769.db2.gz CMKMYERFHVEDOT-CYBMUJFWSA-N 1 0 246.354 2.383 20 70 BEIDRO CC[C@]1(C)CCCN(C(=O)CC[NH2+]C(C)C)C1 ZINC000160776314 323134815 /nfs/dbraw/zinc/13/48/15/323134815.db2.gz CANIAAZBLNKQLI-CQSZACIVSA-N 1 0 240.391 2.413 20 70 BEIDRO Cn1cnnc1C[N@@H+]1CCC[C@@H]1CC(C)(C)C ZINC000160876517 323137721 /nfs/dbraw/zinc/13/77/21/323137721.db2.gz OCEPSTJKWRVUOP-LLVKDONJSA-N 1 0 236.363 2.216 20 70 BEIDRO CC[C@H]([NH3+])C(=O)N(C)[C@@H](C)Cc1ccc(C)cc1 ZINC000161156848 323149503 /nfs/dbraw/zinc/14/95/03/323149503.db2.gz JDAPHINFOUZABJ-JSGCOSHPSA-N 1 0 248.370 2.122 20 70 BEIDRO C[C@H]([NH2+]CCc1cscn1)c1cscn1 ZINC000161227936 323469518 /nfs/dbraw/zinc/46/95/18/323469518.db2.gz FPBPAYSDCLEUNU-QMMMGPOBSA-N 1 0 239.369 2.493 20 70 BEIDRO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1nnnn1C1CC1 ZINC000161430080 323513200 /nfs/dbraw/zinc/51/32/00/323513200.db2.gz AFPBHBSQWAHLCQ-ZYHUDNBSSA-N 1 0 249.362 2.066 20 70 BEIDRO CCCN(CC)CC[NH2+][C@@H]1CS[C@@H](C)C1 ZINC000217645642 488037209 /nfs/dbraw/zinc/03/72/09/488037209.db2.gz OAFQQEZFCSIKFT-RYUDHWBXSA-N 1 0 230.421 2.202 20 70 BEIDRO Cc1cscc1C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000161270146 487487307 /nfs/dbraw/zinc/48/73/07/487487307.db2.gz RUWFHRLLLLQRQQ-ZJUUUORDSA-N 1 0 238.356 2.056 20 70 BEIDRO CCC(CC)CC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000161448760 487496666 /nfs/dbraw/zinc/49/66/66/487496666.db2.gz IURRWQHZRVLHMT-VXGBXAGGSA-N 1 0 226.364 2.199 20 70 BEIDRO CCC(CC)CC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000161448876 487497559 /nfs/dbraw/zinc/49/75/59/487497559.db2.gz IURRWQHZRVLHMT-NEPJUHHUSA-N 1 0 226.364 2.199 20 70 BEIDRO CC[C@H]([NH3+])C(=O)N1CCc2ccccc2[C@H]1CC ZINC000160133776 488108704 /nfs/dbraw/zinc/10/87/04/488108704.db2.gz QJQDUNZRYBLJHO-UONOGXRCSA-N 1 0 246.354 2.260 20 70 BEIDRO CC[C@](C)(O)C[N@@H+]1CCC2(CCCC2)C1 ZINC000161318430 535844152 /nfs/dbraw/zinc/84/41/52/535844152.db2.gz LFOHKXDVYJSZEE-LBPRGKRZSA-N 1 0 211.349 2.414 20 70 BEIDRO COc1cccc([C@H](C)[N@H+](C)C[C@H](O)C2CC2)c1 ZINC000160829511 538913072 /nfs/dbraw/zinc/91/30/72/538913072.db2.gz MJGKXGADQDOLLC-NHYWBVRUSA-N 1 0 249.354 2.459 20 70 BEIDRO C[C@@H](CO)C[N@@H+]1CCc2sccc2[C@@H]1C ZINC000160910180 538913439 /nfs/dbraw/zinc/91/34/39/538913439.db2.gz CVGSBIXHWPUVDK-ZJUUUORDSA-N 1 0 225.357 2.296 20 70 BEIDRO Cc1noc(C)c1C[N@@H+]1CCCSCC1 ZINC000161476186 349458416 /nfs/dbraw/zinc/45/84/16/349458416.db2.gz ONOSJFMJRZMDQM-UHFFFAOYSA-N 1 0 226.345 2.230 20 70 BEIDRO COC[C@@H]([NH2+]C[C@@](C)(O)CCC(C)C)C(C)C ZINC000159411130 136214292 /nfs/dbraw/zinc/21/42/92/136214292.db2.gz MXLUVMQSGBDBOX-KGLIPLIRSA-N 1 0 245.407 2.434 20 70 BEIDRO OCC[NH2+][C@H]1CCSc2c(Cl)cccc21 ZINC000159714741 343202645 /nfs/dbraw/zinc/20/26/45/343202645.db2.gz STQCRLYUFDPXQB-JTQLQIEISA-N 1 0 243.759 2.459 20 70 BEIDRO CC(C)[C@H](C)[NH2+][C@@H]1CCN2CCCC[C@@H]12 ZINC000217674539 136278152 /nfs/dbraw/zinc/27/81/52/136278152.db2.gz VVKIWVAPNZKHNN-XQQFMLRXSA-N 1 0 210.365 2.247 20 70 BEIDRO CC(C)(CNC(=O)CCC[NH3+])Cc1ccccc1 ZINC000161077059 187301748 /nfs/dbraw/zinc/30/17/48/187301748.db2.gz IFUZLJSTMWWYEH-UHFFFAOYSA-N 1 0 248.370 2.110 20 70 BEIDRO COC(=O)CC[N@@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000159872233 345576878 /nfs/dbraw/zinc/57/68/78/345576878.db2.gz JOBYGROLACRJMA-ZDUSSCGKSA-N 1 0 248.326 2.090 20 70 BEIDRO C[C@@H]1C[C@@H](C)[N@H+](Cc2ccc(CO)o2)C1 ZINC000161296227 346167192 /nfs/dbraw/zinc/16/71/92/346167192.db2.gz DHHLIJIHLWKXAW-NXEZZACHSA-N 1 0 209.289 2.002 20 70 BEIDRO CSCC[C@@H](C)[N@H+](C)Cc1cnc(N)s1 ZINC000161289595 346167724 /nfs/dbraw/zinc/16/77/24/346167724.db2.gz BBSRFUBHQVZVSA-MRVPVSSYSA-N 1 0 245.417 2.299 20 70 BEIDRO C[N@@H+]1CCC[C@@H]1CNC(=O)CCC(C)(C)C ZINC000160129178 346441999 /nfs/dbraw/zinc/44/19/99/346441999.db2.gz TUAVOKCYIJYNEJ-LLVKDONJSA-N 1 0 226.364 2.023 20 70 BEIDRO C[C@H]1CCC[C@H](C)N(C(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000160936017 346470309 /nfs/dbraw/zinc/47/03/09/346470309.db2.gz FVGBALZWDWSBJH-RWMBFGLXSA-N 1 0 238.375 2.023 20 70 BEIDRO CSCCCC[NH2+][C@H]1CCCOCC1 ZINC000161451014 133646286 /nfs/dbraw/zinc/64/62/86/133646286.db2.gz NBRIWQGXVQYWFD-NSHDSACASA-N 1 0 217.378 2.288 20 70 BEIDRO CCC(CC)[NH2+][C@@H]1CCN2CCCC[C@@H]12 ZINC000217680273 535082117 /nfs/dbraw/zinc/08/21/17/535082117.db2.gz CHGDKWVCPMPNOV-OLZOCXBDSA-N 1 0 210.365 2.391 20 70 BEIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)C1CCCC1)CC2 ZINC000160535830 349113337 /nfs/dbraw/zinc/11/33/37/349113337.db2.gz QWJNMKXZFDEWMH-GWCFXTLKSA-N 1 0 248.374 2.070 20 70 BEIDRO CCCC[C@@H](COC)[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000160572530 349233836 /nfs/dbraw/zinc/23/38/36/349233836.db2.gz CXPTWDVDTGOEDT-RDBSUJKOSA-N 1 0 243.391 2.332 20 70 BEIDRO Cc1cccc2c1CC[C@@H]2[NH2+]CC(=O)NC(C)C ZINC000160917996 349338775 /nfs/dbraw/zinc/33/87/75/349338775.db2.gz TWWANTNGZCYYCJ-AWEZNQCLSA-N 1 0 246.354 2.097 20 70 BEIDRO C[C@H]1CC([NH2+]C2CCSCC2)C[C@H](C)O1 ZINC000161066182 349372300 /nfs/dbraw/zinc/37/23/00/349372300.db2.gz JCFXPXSJOPIXPA-UWVGGRQHSA-N 1 0 229.389 2.428 20 70 BEIDRO CC(C)(O)C[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000160591725 200722583 /nfs/dbraw/zinc/72/25/83/200722583.db2.gz XRHYVNUVMODRKY-AWEZNQCLSA-N 1 0 233.355 2.368 20 70 BEIDRO C[C@@H](CCC(C)(C)C)NC(=O)[C@H]1CCCC[NH2+]1 ZINC000159768393 361288624 /nfs/dbraw/zinc/28/86/24/361288624.db2.gz FTMRKTMBMLTEND-NWDGAFQWSA-N 1 0 240.391 2.460 20 70 BEIDRO CCCC[C@@H](C(=O)OC)[N@H+](C)CC(C)C ZINC000160798522 361328109 /nfs/dbraw/zinc/32/81/09/361328109.db2.gz IOIASFWPFBKLKY-NSHDSACASA-N 1 0 215.337 2.306 20 70 BEIDRO Cc1nc(C)c(C[NH2+]C(C)(C)[C@H](C)O)s1 ZINC000160602740 361321579 /nfs/dbraw/zinc/32/15/79/361321579.db2.gz ZZTANEGNEDGEIG-QMMMGPOBSA-N 1 0 228.361 2.009 20 70 BEIDRO CCC[NH2+]CCNCc1sccc1Cl ZINC000161345425 169259477 /nfs/dbraw/zinc/25/94/77/169259477.db2.gz YANQANSENSIUDS-UHFFFAOYSA-N 1 0 232.780 2.491 20 70 BEIDRO Cn1cccc1C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000159641355 384345852 /nfs/dbraw/zinc/34/58/52/384345852.db2.gz HSKFYXDNTJFDAP-IHRRRGAJSA-N 1 0 246.354 2.072 20 70 BEIDRO c1cncc(C[NH2+][C@H]2[C@H]3CCO[C@@H]3C23CCC3)c1 ZINC000159661435 384348168 /nfs/dbraw/zinc/34/81/68/384348168.db2.gz FUKRSAMWHQDBHZ-RDBSUJKOSA-N 1 0 244.338 2.129 20 70 BEIDRO Cc1ccc([C@@H]2CCCCN2C(=O)[C@H](C)[NH3+])cc1 ZINC000159912116 384370299 /nfs/dbraw/zinc/37/02/99/384370299.db2.gz OTBCGZLXTKVIKI-JSGCOSHPSA-N 1 0 246.354 2.396 20 70 BEIDRO CC[C@H](CC(=O)NCCC[NH3+])c1ccccc1 ZINC000160149380 384387722 /nfs/dbraw/zinc/38/77/22/384387722.db2.gz LXWVRNWYGAFUSV-GFCCVEGCSA-N 1 0 234.343 2.035 20 70 BEIDRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)[C@@H](C)c1ccccc1 ZINC000160893760 384445225 /nfs/dbraw/zinc/44/52/25/384445225.db2.gz KYDXVOMPPKTLMN-DYEKYZERSA-N 1 0 248.370 2.278 20 70 BEIDRO COC(=O)C[N@H+](CCC1CCCC1)C(C)C ZINC000159601652 384452846 /nfs/dbraw/zinc/45/28/46/384452846.db2.gz BZOPXZPROSYILS-UHFFFAOYSA-N 1 0 227.348 2.450 20 70 BEIDRO CC[C@H]([NH3+])C(=O)NCc1oc2ccccc2c1C ZINC000160818018 384438323 /nfs/dbraw/zinc/43/83/23/384438323.db2.gz RPIRBVHIETVVRO-NSHDSACASA-N 1 0 246.310 2.095 20 70 BEIDRO C[C@H](N[C@H]1CCC[C@H]([NH+](C)C)C1)c1cnccn1 ZINC000161063638 384461450 /nfs/dbraw/zinc/46/14/50/384461450.db2.gz QQDSBLFLJQPERH-AVGNSLFASA-N 1 0 248.374 2.000 20 70 BEIDRO COC(C[N@H+](C)[C@H]1CCc2ccccc2C1)OC ZINC000161118093 384463482 /nfs/dbraw/zinc/46/34/82/384463482.db2.gz YWOCMRCDHREVLL-AWEZNQCLSA-N 1 0 249.354 2.095 20 70 BEIDRO Cc1ccc(CN(C)C[C@@H]2CCC[N@H+](C)C2)o1 ZINC000161289836 384478881 /nfs/dbraw/zinc/47/88/81/384478881.db2.gz BUWVMTGGUTXDLX-CYBMUJFWSA-N 1 0 236.359 2.362 20 70 BEIDRO CN(CC[C@@H]1CCC[N@@H+]1C)Cc1cscn1 ZINC000161458590 384490222 /nfs/dbraw/zinc/49/02/22/384490222.db2.gz FFVWAKWGBSKQRB-LBPRGKRZSA-N 1 0 239.388 2.059 20 70 BEIDRO C[C@H](O)CC[N@@H+]1CCC[C@@H]2CCCC[C@H]21 ZINC000216939783 384786502 /nfs/dbraw/zinc/78/65/02/384786502.db2.gz IYZFMXWPKNFSMW-RWMBFGLXSA-N 1 0 211.349 2.412 20 70 BEIDRO C[C@@H]([NH2+]CC1CCOCC1)c1cscn1 ZINC000161180600 384884709 /nfs/dbraw/zinc/88/47/09/384884709.db2.gz NMHIWMUCUAZDAS-SECBINFHSA-N 1 0 226.345 2.220 20 70 BEIDRO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1O)c1cscn1 ZINC000161198825 384910244 /nfs/dbraw/zinc/91/02/44/384910244.db2.gz JQXBHYOYZBRUHQ-NGZCFLSTSA-N 1 0 226.345 2.097 20 70 BEIDRO C([NH2+][C@H]1CCCOCC1)C1CCSCC1 ZINC000161444699 385051198 /nfs/dbraw/zinc/05/11/98/385051198.db2.gz AFKSLZCDLBIYRH-LBPRGKRZSA-N 1 0 229.389 2.288 20 70 BEIDRO CN(CCC[NH+]1CCCCC1)CC(F)(F)F ZINC000161077215 385120508 /nfs/dbraw/zinc/12/05/08/385120508.db2.gz MPINXDSIHSDQRW-UHFFFAOYSA-N 1 0 238.297 2.357 20 70 BEIDRO CCC[C@@H]1CCCN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000161444330 386036107 /nfs/dbraw/zinc/03/61/07/386036107.db2.gz MOPZSRLYHAQJKL-UPJWGTAASA-N 1 0 238.375 2.153 20 70 BEIDRO Cc1cc(C)nc(NCCC2CC[NH+](C)CC2)n1 ZINC000160766387 386762197 /nfs/dbraw/zinc/76/21/97/386762197.db2.gz PKDWJVBIKJZZEQ-UHFFFAOYSA-N 1 0 248.374 2.237 20 70 BEIDRO CC(C)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(C)(C)C ZINC000160071270 387040491 /nfs/dbraw/zinc/04/04/91/387040491.db2.gz XCEGSDJPJSEMHF-WDEREUQCSA-N 1 0 228.380 2.301 20 70 BEIDRO COC[C@H]([NH2+][C@@H](C)c1cscn1)C(C)C ZINC000161211337 387151516 /nfs/dbraw/zinc/15/15/16/387151516.db2.gz HXKMGMQGRVZSBW-UWVGGRQHSA-N 1 0 228.361 2.465 20 70 BEIDRO COC[C@@H]([NH2+][C@@H](C)c1cscn1)C(C)C ZINC000161211230 387151564 /nfs/dbraw/zinc/15/15/64/387151564.db2.gz HXKMGMQGRVZSBW-VHSXEESVSA-N 1 0 228.361 2.465 20 70 BEIDRO COC(C)(C)C[NH2+][C@@H](C)c1cscn1 ZINC000161226444 387156520 /nfs/dbraw/zinc/15/65/20/387156520.db2.gz AXFFOUHWDSWLCG-QMMMGPOBSA-N 1 0 214.334 2.219 20 70 BEIDRO CC[C@H]1CCCC[C@@H]1[NH2+]Cc1nnnn1C1CC1 ZINC000161429962 387210020 /nfs/dbraw/zinc/21/00/20/387210020.db2.gz AFPBHBSQWAHLCQ-JQWIXIFHSA-N 1 0 249.362 2.066 20 70 BEIDRO CSC[C@@H](CCO)[NH2+][C@@H](C)C1CCCC1 ZINC000160380229 388059811 /nfs/dbraw/zinc/05/98/11/388059811.db2.gz BAUFFKRCFNWUDY-CMPLNLGQSA-N 1 0 231.405 2.269 20 70 BEIDRO CCCC[C@@H](C(=O)OC)[N@H+](C)CC1CCC1 ZINC000160799627 388091860 /nfs/dbraw/zinc/09/18/60/388091860.db2.gz BUXTYNXHHGFDAN-LBPRGKRZSA-N 1 0 227.348 2.450 20 70 BEIDRO C[C@@H]([NH2+]CCC(C)(C)O)[C@@H]1COc2ccccc21 ZINC000160154797 134799747 /nfs/dbraw/zinc/79/97/47/134799747.db2.gz QETSCAFKHHMBQT-YPMHNXCESA-N 1 0 249.354 2.302 20 70 BEIDRO CC[C@](C)(O)C[N@@H+]1CCc2ccc(OC)cc2C1 ZINC000160691175 397772039 /nfs/dbraw/zinc/77/20/39/397772039.db2.gz UPOCSJVQQGJWIQ-HNNXBMFYSA-N 1 0 249.354 2.214 20 70 BEIDRO CCC[C@H](C)C(=O)N1CCC[N@H+](CCC)CC1 ZINC000160386995 397957642 /nfs/dbraw/zinc/95/76/42/397957642.db2.gz LLJIXKGCQIETKE-ZDUSSCGKSA-N 1 0 240.391 2.367 20 70 BEIDRO Cc1nccn1CCCC[N@@H+](C)CC1CC1 ZINC000161429789 398067229 /nfs/dbraw/zinc/06/72/29/398067229.db2.gz YWIBODYAQZUWRY-UHFFFAOYSA-N 1 0 221.348 2.314 20 70 BEIDRO CC(C)[C@@H]1CCCCN1C(=O)[C@H]1CCC[NH2+]C1 ZINC000160426635 167465567 /nfs/dbraw/zinc/46/55/67/167465567.db2.gz IGGRLCHMJQAFCD-STQMWFEESA-N 1 0 238.375 2.023 20 70 BEIDRO CC[NH+]1CCC(Nc2cncc(Cl)n2)CC1 ZINC000217873852 411278730 /nfs/dbraw/zinc/27/87/30/411278730.db2.gz DLYZBMCNVYNJKB-UHFFFAOYSA-N 1 0 240.738 2.026 20 70 BEIDRO CCNC(=O)c1cccc(C[NH2+][C@H](C)CC)c1 ZINC000160188425 170103924 /nfs/dbraw/zinc/10/39/24/170103924.db2.gz ZLLWESUFZQURSP-LLVKDONJSA-N 1 0 234.343 2.324 20 70 BEIDRO CC[NH2+]CCNCc1cc(C)cc(C)c1 ZINC000161312737 170115222 /nfs/dbraw/zinc/11/52/22/170115222.db2.gz KSPINNAMTSTTDE-UHFFFAOYSA-N 1 0 206.333 2.003 20 70 BEIDRO C[NH2+]CCNCc1c(Cl)cccc1Cl ZINC000161284144 173355782 /nfs/dbraw/zinc/35/57/82/173355782.db2.gz SLVAQGAQFDCDJL-UHFFFAOYSA-N 1 0 233.142 2.302 20 70 BEIDRO C[NH2+]CCNCc1ccc(Cl)c(Cl)c1 ZINC000161257677 173355905 /nfs/dbraw/zinc/35/59/05/173355905.db2.gz LAXPMLOXWGKFEP-UHFFFAOYSA-N 1 0 233.142 2.302 20 70 BEIDRO C[NH2+][C@@H]1CCN(C(=O)C[C@@H](C)c2ccccc2)C1 ZINC000160597609 173435705 /nfs/dbraw/zinc/43/57/05/173435705.db2.gz XAOFZDRFZDZWCP-TZMCWYRMSA-N 1 0 246.354 2.001 20 70 BEIDRO COc1ccc([C@H](C)[NH2+]CCO)c2ccccc12 ZINC000159687027 175188276 /nfs/dbraw/zinc/18/82/76/175188276.db2.gz TWBJVQLHVQMAGM-NSHDSACASA-N 1 0 245.322 2.491 20 70 BEIDRO C[C@@H](O)C[N@H+](C)[C@@H](C)c1cccc(F)c1 ZINC000159366007 176017832 /nfs/dbraw/zinc/01/78/32/176017832.db2.gz MYBSREXHRILFPA-ZJUUUORDSA-N 1 0 211.280 2.199 20 70 BEIDRO C[C@@H]1CC[N@H+](Cc2cnc(N)s2)C[C@@H]1C ZINC000161283942 176177945 /nfs/dbraw/zinc/17/79/45/176177945.db2.gz DNBGBQMVPCFCBZ-BDAKNGLRSA-N 1 0 225.361 2.203 20 70 BEIDRO C[C@H]1[NH2+]CCC[C@H]1Nc1ncccc1Cl ZINC000160545520 177396708 /nfs/dbraw/zinc/39/67/08/177396708.db2.gz WDFFLRDTXYBHCF-PSASIEDQSA-N 1 0 225.723 2.287 20 70 BEIDRO CCCCC(=O)N1CCC[N@H+](CCC)CC1 ZINC000160357819 487791037 /nfs/dbraw/zinc/79/10/37/487791037.db2.gz CYFQRQZHKMXYIY-UHFFFAOYSA-N 1 0 226.364 2.121 20 70 BEIDRO CC1CCC(C[NH2+][C@H](C(N)=O)C(C)(C)C)CC1 ZINC000159542958 323036214 /nfs/dbraw/zinc/03/62/14/323036214.db2.gz JWOWTMXMGPIRMB-HTAVTVPLSA-N 1 0 240.391 2.302 20 70 BEIDRO CCc1nn(C)c(CC)c1C[NH2+][C@@H](C)C1CC1 ZINC000159622382 323040703 /nfs/dbraw/zinc/04/07/03/323040703.db2.gz AJQVVYRCYWLOCB-JTQLQIEISA-N 1 0 235.375 2.433 20 70 BEIDRO C[NH+](C)Cc1ccc(CNC(=O)C2(C)CC2)cc1 ZINC000159711384 323044319 /nfs/dbraw/zinc/04/43/19/323044319.db2.gz FCHDWLGSPUGLNP-UHFFFAOYSA-N 1 0 246.354 2.165 20 70 BEIDRO CC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccccc2C)C1 ZINC000159814785 323049149 /nfs/dbraw/zinc/04/91/49/323049149.db2.gz YBRIYVHEYDHPHI-OCCSQVGLSA-N 1 0 246.354 2.266 20 70 BEIDRO CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccccc2C)C1 ZINC000159814674 323049205 /nfs/dbraw/zinc/04/92/05/323049205.db2.gz YBRIYVHEYDHPHI-GXTWGEPZSA-N 1 0 246.354 2.266 20 70 BEIDRO CC(C)C(=O)NCCC[NH2+][C@H](C)c1ccccc1 ZINC000159975655 323056539 /nfs/dbraw/zinc/05/65/39/323056539.db2.gz IFFKLRYSPSLXCS-CYBMUJFWSA-N 1 0 248.370 2.500 20 70 BEIDRO CC1(C)CCC(C[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000160336426 323065118 /nfs/dbraw/zinc/06/51/18/323065118.db2.gz YJVJYXTZVVVDEV-LBPRGKRZSA-N 1 0 238.375 2.153 20 70 BEIDRO CC(C)C[C@@H]1CCC[N@@H+]1Cc1nccn1C ZINC000160886110 323137659 /nfs/dbraw/zinc/13/76/59/323137659.db2.gz ONMVDHFXFNOSEN-LBPRGKRZSA-N 1 0 221.348 2.431 20 70 BEIDRO CCCn1c(C)nnc1C[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000161024542 323143569 /nfs/dbraw/zinc/14/35/69/323143569.db2.gz PLRAJGDMLYKIQW-STQMWFEESA-N 1 0 248.374 2.228 20 70 BEIDRO CCCn1c(C)nnc1C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000161024330 323143609 /nfs/dbraw/zinc/14/36/09/323143609.db2.gz PLRAJGDMLYKIQW-BETUJISGSA-N 1 0 248.374 2.228 20 70 BEIDRO CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1nnnn1C1CC1 ZINC000161429852 323513723 /nfs/dbraw/zinc/51/37/23/323513723.db2.gz AFPBHBSQWAHLCQ-PWSUYJOCSA-N 1 0 249.362 2.066 20 70 BEIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)CCC2CCCC2)C1 ZINC000161198920 487484190 /nfs/dbraw/zinc/48/41/90/487484190.db2.gz FTOOYBCZMBNPCX-OLZOCXBDSA-N 1 0 238.375 2.343 20 70 BEIDRO Cc1ccc(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)s1 ZINC000161420000 487495337 /nfs/dbraw/zinc/49/53/37/487495337.db2.gz BRKJBLPAFQKTBV-ZJUUUORDSA-N 1 0 238.356 2.056 20 70 BEIDRO C[C@H]1CCCN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000216859459 592087052 /nfs/dbraw/zinc/08/70/52/592087052.db2.gz AACAJTULPLRYFA-YNEHKIRRSA-N 1 0 238.375 2.153 20 70 BEIDRO CC[N@H+](Cc1ccoc1)C[C@@](C)(O)CC ZINC000160836198 538912849 /nfs/dbraw/zinc/91/28/49/538912849.db2.gz HWAYKBAMHZZVPN-LBPRGKRZSA-N 1 0 211.305 2.263 20 70 BEIDRO CCN(C[C@H](C)CO)c1cccc(C)c1 ZINC000160970155 538913865 /nfs/dbraw/zinc/91/38/65/538913865.db2.gz WYIAEAZEEAUWHH-LBPRGKRZSA-N 1 0 207.317 2.450 20 70 BEIDRO CC(C)CC[N@H+](C)Cc1ccc(CO)o1 ZINC000161157381 538914307 /nfs/dbraw/zinc/91/43/07/538914307.db2.gz METOIYPCSOWBMI-UHFFFAOYSA-N 1 0 211.305 2.250 20 70 BEIDRO Cc1cc(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)nc(C)n1 ZINC000217362767 178182422 /nfs/dbraw/zinc/18/24/22/178182422.db2.gz XVCYZSTXYMINCH-OLZOCXBDSA-N 1 0 246.358 2.132 20 70 BEIDRO C[C@@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C[C@@H]1C ZINC000159791622 323048399 /nfs/dbraw/zinc/04/83/99/323048399.db2.gz ZGQSXZISIJTGJM-VOAKCMCISA-N 1 0 238.375 2.022 20 70 BEIDRO Cc1ccc(C[NH2+]C(C)(C)[C@H](C)O)s1 ZINC000160608652 178600246 /nfs/dbraw/zinc/60/02/46/178600246.db2.gz AEJJSWFQFDZQOR-VIFPVBQESA-N 1 0 213.346 2.306 20 70 BEIDRO CC[C@@H]1CCC[N@H+](CCn2ccnc2)C1 ZINC000159722171 346428821 /nfs/dbraw/zinc/42/88/21/346428821.db2.gz UGZDMSKAZIVUNB-GFCCVEGCSA-N 1 0 207.321 2.005 20 70 BEIDRO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CCC1CCCC1 ZINC000160529557 349095185 /nfs/dbraw/zinc/09/51/85/349095185.db2.gz HBIFKVZENMOJQH-YPMHNXCESA-N 1 0 238.375 2.153 20 70 BEIDRO CCc1nnc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)o1 ZINC000160549456 349188435 /nfs/dbraw/zinc/18/84/35/349188435.db2.gz FQYGWAFASUPBHF-QWRGUYRKSA-N 1 0 235.331 2.397 20 70 BEIDRO CC(C)NC(=O)C[NH2+][C@@H]1c2ccccc2C[C@H]1C ZINC000160937738 349340795 /nfs/dbraw/zinc/34/07/95/349340795.db2.gz JILVBKKDPVNSRR-ABAIWWIYSA-N 1 0 246.354 2.034 20 70 BEIDRO COC[C@@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)C(C)C ZINC000161105205 349375252 /nfs/dbraw/zinc/37/52/52/349375252.db2.gz GAFVXZXCPXCIJJ-HZSPNIEDSA-N 1 0 242.407 2.120 20 70 BEIDRO CSCC[NH2+][C@@H](C)c1cscn1 ZINC000161137329 349381125 /nfs/dbraw/zinc/38/11/25/349381125.db2.gz CBWOTITYQVXGDS-ZETCQYMHSA-N 1 0 202.348 2.157 20 70 BEIDRO Cc1nccn1CCCC[NH+]1CCCC1 ZINC000161252991 349416558 /nfs/dbraw/zinc/41/65/58/349416558.db2.gz VLGJMFWVTIDNKM-UHFFFAOYSA-N 1 0 207.321 2.068 20 70 BEIDRO CSCC[NH2+]Cc1cc(F)cc(F)c1 ZINC000159587814 350912107 /nfs/dbraw/zinc/91/21/07/350912107.db2.gz JQNBCHBRAIBGHW-UHFFFAOYSA-N 1 0 217.284 2.417 20 70 BEIDRO CC[C@@H](COC)[NH2+][C@H](C)c1cscn1 ZINC000161206695 323466686 /nfs/dbraw/zinc/46/66/86/323466686.db2.gz GBOSCALCVYZZHM-BDAKNGLRSA-N 1 0 214.334 2.219 20 70 BEIDRO CC(C)C[C@H](CO)[NH2+][C@H](C)c1cscn1 ZINC000161164033 188008535 /nfs/dbraw/zinc/00/85/35/188008535.db2.gz ACYHWHWHTWHNBD-NXEZZACHSA-N 1 0 228.361 2.201 20 70 BEIDRO CC(C)N(C(=O)[C@H]1CCC[C@H]([NH3+])C1)C1CCC1 ZINC000160560721 188047941 /nfs/dbraw/zinc/04/79/41/188047941.db2.gz RHBINXUQRXPAJU-RYUDHWBXSA-N 1 0 238.375 2.293 20 70 BEIDRO CC(C)CC[C@H](NC(=O)[C@H](C)[NH3+])C(C)(C)C ZINC000160071148 353253285 /nfs/dbraw/zinc/25/32/85/353253285.db2.gz XCEGSDJPJSEMHF-QWRGUYRKSA-N 1 0 228.380 2.301 20 70 BEIDRO CCCC[C@H](CC)CC(=O)N1CCC[NH2+]CC1 ZINC000160844916 353273044 /nfs/dbraw/zinc/27/30/44/353273044.db2.gz LMVPCZSZRIXYLT-ZDUSSCGKSA-N 1 0 240.391 2.415 20 70 BEIDRO CCCC[C@H](CC)CC(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000160589463 491078678 /nfs/dbraw/zinc/07/86/78/491078678.db2.gz OQLAAWSEBMRILD-QWHCGFSZSA-N 1 0 240.391 2.413 20 70 BEIDRO CCC[C@@H]([NH3+])C(=O)N1CC[C@@H](CC(C)C)C1 ZINC000159612093 361267746 /nfs/dbraw/zinc/26/77/46/361267746.db2.gz CQLICJFRIVETHI-NWDGAFQWSA-N 1 0 226.364 2.008 20 70 BEIDRO CC1(C)C[C@@H]([NH2+]Cc2cncs2)CCO1 ZINC000160431046 361308179 /nfs/dbraw/zinc/30/81/79/361308179.db2.gz PBHMVRXGWMJXGA-VIFPVBQESA-N 1 0 226.345 2.190 20 70 BEIDRO CCCC[C@@H](C(=O)OC)[N@@H+]1CCC[C@@H]1C ZINC000160796002 361328143 /nfs/dbraw/zinc/32/81/43/361328143.db2.gz HHMRTUCPBXYVNL-QWRGUYRKSA-N 1 0 213.321 2.203 20 70 BEIDRO C[C@H]1C[N@@H+](CC2(O)CCCC2)CC[C@@H]1C ZINC000160979581 361333515 /nfs/dbraw/zinc/33/35/15/361333515.db2.gz QCLJQZGHBHOKSH-RYUDHWBXSA-N 1 0 211.349 2.269 20 70 BEIDRO Cc1nc(CC[NH2+]Cc2nccs2)cs1 ZINC000218098236 372059377 /nfs/dbraw/zinc/05/93/77/372059377.db2.gz FMBBQZWMWQYXLT-UHFFFAOYSA-N 1 0 239.369 2.240 20 70 BEIDRO COC(=O)C1(N(C)CC=C(C)C)CCCC1 ZINC000159384328 384021701 /nfs/dbraw/zinc/02/17/01/384021701.db2.gz QADGFIBZFMAADQ-UHFFFAOYSA-N 1 0 225.332 2.370 20 70 BEIDRO CC[C@H]([NH3+])C(=O)N[C@H]1CCC[C@H]1c1ccccc1 ZINC000159722917 384350561 /nfs/dbraw/zinc/35/05/61/384350561.db2.gz KWMQODOZKGMKHI-IHRRRGAJSA-N 1 0 246.354 2.176 20 70 BEIDRO CC[N@H+](CCCF)CCc1nccs1 ZINC000159361401 384326104 /nfs/dbraw/zinc/32/61/04/384326104.db2.gz XEXUGRUDQGBHHU-UHFFFAOYSA-N 1 0 216.325 2.367 20 70 BEIDRO C[NH2+][C@H]1CCN(C(=O)C[C@@H](C)c2ccccc2)C1 ZINC000160597426 384422724 /nfs/dbraw/zinc/42/27/24/384422724.db2.gz XAOFZDRFZDZWCP-OCCSQVGLSA-N 1 0 246.354 2.001 20 70 BEIDRO C[N@@H+](CCc1ccccc1)CCn1ccnc1 ZINC000161421056 384488726 /nfs/dbraw/zinc/48/87/26/384488726.db2.gz ZQQWEBPVSNEXGG-UHFFFAOYSA-N 1 0 229.327 2.058 20 70 BEIDRO Cc1cc(C)c(C[N@@H+]2CCC[C@@H]2C(N)=O)cc1C ZINC000160304652 384743787 /nfs/dbraw/zinc/74/37/87/384743787.db2.gz DQGNQMMRXKIRTC-CQSZACIVSA-N 1 0 246.354 2.062 20 70 BEIDRO C[C@H]([NH2+]CC1CCOCC1)c1cscn1 ZINC000161180487 384882214 /nfs/dbraw/zinc/88/22/14/384882214.db2.gz NMHIWMUCUAZDAS-VIFPVBQESA-N 1 0 226.345 2.220 20 70 BEIDRO C[C@@H]([NH2+]C[C@@H]1CCCOC1)c1cscn1 ZINC000161160150 384856664 /nfs/dbraw/zinc/85/66/64/384856664.db2.gz SBMABHBEKLGUGY-ZJUUUORDSA-N 1 0 226.345 2.220 20 70 BEIDRO CCC[C@H](CCc1ccccc1)NC(=O)C[NH2+]C ZINC000160937494 384862696 /nfs/dbraw/zinc/86/26/96/384862696.db2.gz UFVVWVVDCIASKL-CQSZACIVSA-N 1 0 248.370 2.124 20 70 BEIDRO C[C@@H]([NH2+][C@H]1CCCC[C@@H]1O)c1cscn1 ZINC000161199206 384909760 /nfs/dbraw/zinc/90/97/60/384909760.db2.gz JQXBHYOYZBRUHQ-YWVKMMECSA-N 1 0 226.345 2.097 20 70 BEIDRO CC(C)(C)[NH2+]CCNCCc1cccs1 ZINC000161441422 386031717 /nfs/dbraw/zinc/03/17/17/386031717.db2.gz NRWHUKXWLULGEX-UHFFFAOYSA-N 1 0 226.389 2.268 20 70 BEIDRO CCC[C@@H]1CCCN(C(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000161448199 386047081 /nfs/dbraw/zinc/04/70/81/386047081.db2.gz VMJUVFKUDRQMDC-OLZOCXBDSA-N 1 0 238.375 2.167 20 70 BEIDRO COCC[N@H+](CCc1nccs1)C(C)C ZINC000159862160 386412203 /nfs/dbraw/zinc/41/22/03/386412203.db2.gz IJNFYCODTSKPDF-UHFFFAOYSA-N 1 0 228.361 2.042 20 70 BEIDRO CC[C@]1(C)CCCN(C(=O)[C@@H]([NH3+])C(C)C)C1 ZINC000160778198 387122111 /nfs/dbraw/zinc/12/21/11/387122111.db2.gz YRNNIEXZGDUWFK-WCQYABFASA-N 1 0 226.364 2.008 20 70 BEIDRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@H]1CC1(C)C ZINC000161328341 387190942 /nfs/dbraw/zinc/19/09/42/387190942.db2.gz AXCXBTJMWPZHQJ-NWDGAFQWSA-N 1 0 240.391 2.125 20 70 BEIDRO C[C@H]([NH2+]Cc1cc(O)cc(F)c1)C1CC1 ZINC000159590773 388022849 /nfs/dbraw/zinc/02/28/49/388022849.db2.gz IJZKOWRJAJQOGG-QMMMGPOBSA-N 1 0 209.264 2.419 20 70 BEIDRO CC1(C)C[C@@H]1[NH2+]Cc1cc(O)cc(F)c1 ZINC000159597873 388022884 /nfs/dbraw/zinc/02/28/84/388022884.db2.gz MNBWLECASBVGKA-NSHDSACASA-N 1 0 209.264 2.419 20 70 BEIDRO C[C@@](O)(C[NH2+][C@H]1CCSC1)c1ccsc1 ZINC000159894052 388036879 /nfs/dbraw/zinc/03/68/79/388036879.db2.gz ACDSZGAIAKKONP-WDEREUQCSA-N 1 0 243.397 2.051 20 70 BEIDRO CCOCC[N@H+](CCc1nccs1)C(C)C ZINC000159803473 388030824 /nfs/dbraw/zinc/03/08/24/388030824.db2.gz CGNMECGUNIOCED-UHFFFAOYSA-N 1 0 242.388 2.433 20 70 BEIDRO C[C@H]([NH2+][C@@H]1CCN2CCCC[C@@H]12)C1CC1 ZINC000217681282 134249261 /nfs/dbraw/zinc/24/92/61/134249261.db2.gz ZVXUCGIRBGLCHD-UHTWSYAYSA-N 1 0 208.349 2.001 20 70 BEIDRO COCCOCCCCNc1cc[nH+]cc1C ZINC000159395383 134772589 /nfs/dbraw/zinc/77/25/89/134772589.db2.gz BCVXWYPGDQCPEW-UHFFFAOYSA-N 1 0 238.331 2.245 20 70 BEIDRO C[C@@H]([NH2+]CCO)c1cccc(-c2ccncc2)c1 ZINC000159723951 134787968 /nfs/dbraw/zinc/78/79/68/134787968.db2.gz LOZHGMIIFSFNBA-GFCCVEGCSA-N 1 0 242.322 2.392 20 70 BEIDRO C[C@@H]([NH2+]CCC(C)(C)O)[C@H]1COc2ccccc21 ZINC000160155061 134800198 /nfs/dbraw/zinc/80/01/98/134800198.db2.gz QETSCAFKHHMBQT-DGCLKSJQSA-N 1 0 249.354 2.302 20 70 BEIDRO CC[C@@]1(C)C[C@@H]1C(=O)NCC1([NH3+])CCCCC1 ZINC000159590462 397948320 /nfs/dbraw/zinc/94/83/20/397948320.db2.gz ZRLKOKKTBVVSRS-YPMHNXCESA-N 1 0 238.375 2.200 20 70 BEIDRO CC[C@@]1(C)C[C@H]1C(=O)NCC1([NH3+])CCCCC1 ZINC000159590747 397948431 /nfs/dbraw/zinc/94/84/31/397948431.db2.gz ZRLKOKKTBVVSRS-AAEUAGOBSA-N 1 0 238.375 2.200 20 70 BEIDRO C(=C/c1ccccc1)\CN1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000217599998 411454334 /nfs/dbraw/zinc/45/43/34/411454334.db2.gz JIMPYGJQOHUFNY-ORBRRYQHSA-N 1 0 228.339 2.136 20 70 BEIDRO CC[NH2+]CCNCc1ccc(C)c(Cl)c1 ZINC000161308270 170115601 /nfs/dbraw/zinc/11/56/01/170115601.db2.gz XLFAGTURCWZVHJ-UHFFFAOYSA-N 1 0 226.751 2.348 20 70 BEIDRO CCOC(C)(C)CNC(=[NH2+])Nc1ccccc1 ZINC000159501279 170311911 /nfs/dbraw/zinc/31/19/11/170311911.db2.gz LBLCWEXDJSEWCJ-UHFFFAOYSA-N 1 0 235.331 2.438 20 70 BEIDRO CCc1csc(N[C@H]2CCC[NH2+][C@@H]2C)n1 ZINC000160551404 171933477 /nfs/dbraw/zinc/93/34/77/171933477.db2.gz WXZLBAJXBCKTAB-SCZZXKLOSA-N 1 0 225.361 2.258 20 70 BEIDRO COCCCC[NH2+][C@@H](C)c1cscn1 ZINC000161156370 174201852 /nfs/dbraw/zinc/20/18/52/174201852.db2.gz FTHMMEYBPYJBQC-VIFPVBQESA-N 1 0 214.334 2.220 20 70 BEIDRO COCCCC[NH2+][C@H](C)c1cscn1 ZINC000161156472 174203135 /nfs/dbraw/zinc/20/31/35/174203135.db2.gz FTHMMEYBPYJBQC-SECBINFHSA-N 1 0 214.334 2.220 20 70 BEIDRO COc1ccc(C[N@H+](C)Cc2c[nH]nc2C)cc1 ZINC000159873677 175095297 /nfs/dbraw/zinc/09/52/97/175095297.db2.gz SXJZOIMTZYMNSV-UHFFFAOYSA-N 1 0 245.326 2.359 20 70 BEIDRO CCN(C(=O)c1ccc(C[NH+](C)C)cc1)C1CC1 ZINC000159593918 323039909 /nfs/dbraw/zinc/03/99/09/323039909.db2.gz TWYOHXKZQCECSL-UHFFFAOYSA-N 1 0 246.354 2.373 20 70 BEIDRO NC(=O)C[C@H]1CCCC[N@@H+]1CCC1CCCC1 ZINC000159857774 323050783 /nfs/dbraw/zinc/05/07/83/323050783.db2.gz YLZXJQVEBULRMG-CYBMUJFWSA-N 1 0 238.375 2.297 20 70 BEIDRO CC(C)C(=O)NCCC[NH2+][C@@H](C)c1ccccc1 ZINC000159975528 323056339 /nfs/dbraw/zinc/05/63/39/323056339.db2.gz IFFKLRYSPSLXCS-ZDUSSCGKSA-N 1 0 248.370 2.500 20 70 BEIDRO C/C(=C/c1ccccc1)C[N@@H+]1CCC[C@H]1C(N)=O ZINC000160342527 323064913 /nfs/dbraw/zinc/06/49/13/323064913.db2.gz BMCWZDGDNXPLMY-HCYCVZQXSA-N 1 0 244.338 2.040 20 70 BEIDRO CCn1ccnc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000160672895 323102465 /nfs/dbraw/zinc/10/24/65/323102465.db2.gz OVUNMLGTYNGZFZ-LLVKDONJSA-N 1 0 207.321 2.135 20 70 BEIDRO CCOCCn1c(C)[nH+]c2c1CCCC2 ZINC000160733644 323104174 /nfs/dbraw/zinc/10/41/74/323104174.db2.gz KDZHGJSPVWIOST-UHFFFAOYSA-N 1 0 208.305 2.107 20 70 BEIDRO CCCC1(CNC(=O)C[N@H+](C)C(C)C)CC1 ZINC000160755890 323106056 /nfs/dbraw/zinc/10/60/56/323106056.db2.gz SIXRNYOIJMNGSS-UHFFFAOYSA-N 1 0 226.364 2.023 20 70 BEIDRO Cc1ccc(C[N@@H+](C)C2CCOCC2)o1 ZINC000160875029 323137713 /nfs/dbraw/zinc/13/77/13/323137713.db2.gz HSRNSIWBJXBKAM-UHFFFAOYSA-N 1 0 209.289 2.199 20 70 BEIDRO CC[C@H]1CCC[N@@H+]1Cc1ccc(CO)o1 ZINC000161166084 323149636 /nfs/dbraw/zinc/14/96/36/323149636.db2.gz QDCSIIAXJWKJAN-JTQLQIEISA-N 1 0 209.289 2.146 20 70 BEIDRO [NH3+][C@H]1CCC[C@H](NC(=O)CCc2ccccc2)C1 ZINC000161198189 487484959 /nfs/dbraw/zinc/48/49/59/487484959.db2.gz BGJAMGDICSASRC-KBPBESRZSA-N 1 0 246.354 2.005 20 70 BEIDRO Cc1cscc1C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000161269796 487487370 /nfs/dbraw/zinc/48/73/70/487487370.db2.gz RUWFHRLLLLQRQQ-VHSXEESVSA-N 1 0 238.356 2.056 20 70 BEIDRO CC(C)(C)CCC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000161454828 487497521 /nfs/dbraw/zinc/49/75/21/487497521.db2.gz KVSILEKEQCTIHE-QWRGUYRKSA-N 1 0 226.364 2.199 20 70 BEIDRO Cc1ccc(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c(C)c1 ZINC000160974953 488183940 /nfs/dbraw/zinc/18/39/40/488183940.db2.gz YHGHGJGHTMWOEP-OLZOCXBDSA-N 1 0 246.354 2.303 20 70 BEIDRO CCOC(=O)CC[N@H+](C)[C@@H]1CCC[C@@H](C)C1 ZINC000217934019 535645372 /nfs/dbraw/zinc/64/53/72/535645372.db2.gz HFXBGDQQGLAQGM-VXGBXAGGSA-N 1 0 227.348 2.450 20 70 BEIDRO CC[C@H](C)[N@H+](C)CCNc1nccs1 ZINC000217366203 592106430 /nfs/dbraw/zinc/10/64/30/592106430.db2.gz SVZJTPMURQQCFN-VIFPVBQESA-N 1 0 213.350 2.285 20 70 BEIDRO C[C@H]([NH2+]CC1(O)CCCC1)c1cscn1 ZINC000161196109 538914962 /nfs/dbraw/zinc/91/49/62/538914962.db2.gz CJJSJKFCGRQYDD-VIFPVBQESA-N 1 0 226.345 2.099 20 70 BEIDRO CCc1cc(=O)[nH]c(C[N@H+](C)CCC(C)C)n1 ZINC000160936969 538913397 /nfs/dbraw/zinc/91/33/97/538913397.db2.gz IHYFETAIEWIXOA-UHFFFAOYSA-N 1 0 237.347 2.223 20 70 BEIDRO Cc1cc(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)nc(C)n1 ZINC000217362835 178190964 /nfs/dbraw/zinc/19/09/64/178190964.db2.gz XVCYZSTXYMINCH-STQMWFEESA-N 1 0 246.358 2.132 20 70 BEIDRO C[C@@H]1CCC[C@H](C)CN1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000160936245 398342509 /nfs/dbraw/zinc/34/25/09/398342509.db2.gz FVGBALZWDWSBJH-YNEHKIRRSA-N 1 0 238.375 2.023 20 70 BEIDRO CCC(O)(CC)C[NH2+][C@@H](C)c1cscn1 ZINC000161179234 168423850 /nfs/dbraw/zinc/42/38/50/168423850.db2.gz UMEZGWVWGRCUOK-VIFPVBQESA-N 1 0 228.361 2.345 20 70 BEIDRO C[C@H]([NH2+][C@H]1CCN2CCCC[C@@H]12)C1CC1 ZINC000217681471 136277916 /nfs/dbraw/zinc/27/79/16/136277916.db2.gz ZVXUCGIRBGLCHD-DRZSPHRISA-N 1 0 208.349 2.001 20 70 BEIDRO CCCn1c(C)nnc1CN1CCC(C)(C)C1 ZINC000159839832 323050381 /nfs/dbraw/zinc/05/03/81/323050381.db2.gz GEUKBQSGIMWSGE-UHFFFAOYSA-N 1 0 236.363 2.228 20 70 BEIDRO CCc1nnc(C[N@@H+]2CC[C@@H](C)C[C@H](C)C2)[nH]1 ZINC000159472520 345436610 /nfs/dbraw/zinc/43/66/10/345436610.db2.gz VOFCUFXRBUUVOB-MNOVXSKESA-N 1 0 236.363 2.235 20 70 BEIDRO CCC(C)(CC)NC(=O)CC[NH2+]C(C)C ZINC000160040328 345478317 /nfs/dbraw/zinc/47/83/17/345478317.db2.gz HAQRDVIEKTXEBW-UHFFFAOYSA-N 1 0 214.353 2.069 20 70 BEIDRO CCC(CC)C[NH+]1CCC(CC(N)=O)CC1 ZINC000159836582 345564510 /nfs/dbraw/zinc/56/45/10/345564510.db2.gz XWBRYUOODWCRKD-UHFFFAOYSA-N 1 0 226.364 2.010 20 70 BEIDRO CSCCCC[NH2+][C@@H]1CCCOCC1 ZINC000161450895 346204593 /nfs/dbraw/zinc/20/45/93/346204593.db2.gz NBRIWQGXVQYWFD-LLVKDONJSA-N 1 0 217.378 2.288 20 70 BEIDRO CC1(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000161032583 323143878 /nfs/dbraw/zinc/14/38/78/323143878.db2.gz LEJBPHPGZCYAOK-UHFFFAOYSA-N 1 0 238.375 2.212 20 70 BEIDRO Cc1ccccc1[C@@H](NC(=O)[C@H](C)[NH3+])C(C)C ZINC000159689220 179324593 /nfs/dbraw/zinc/32/45/93/179324593.db2.gz ZBQHHPPZXXYUNS-AAEUAGOBSA-N 1 0 234.343 2.156 20 70 BEIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)C1CCCC1)CC2 ZINC000160536104 349114670 /nfs/dbraw/zinc/11/46/70/349114670.db2.gz QWJNMKXZFDEWMH-MFKMUULPSA-N 1 0 248.374 2.070 20 70 BEIDRO CCCC[C@H](COC)[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000160572650 349234686 /nfs/dbraw/zinc/23/46/86/349234686.db2.gz CXPTWDVDTGOEDT-MCIONIFRSA-N 1 0 243.391 2.332 20 70 BEIDRO CC(C)N(C)C(=O)C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000160554271 349197762 /nfs/dbraw/zinc/19/77/62/349197762.db2.gz JSWAUYKHIKMNGT-STQMWFEESA-N 1 0 238.375 2.118 20 70 BEIDRO Cc1cccc2c1CC[C@H]2[NH2+]CC(=O)NC(C)C ZINC000160918139 349339025 /nfs/dbraw/zinc/33/90/25/349339025.db2.gz TWWANTNGZCYYCJ-CQSZACIVSA-N 1 0 246.354 2.097 20 70 BEIDRO CCOC(=O)CCC[N@@H+]1CCC[C@H](CC)C1 ZINC000160963853 349344139 /nfs/dbraw/zinc/34/41/39/349344139.db2.gz SPGBZIHPPUOWRR-LBPRGKRZSA-N 1 0 227.348 2.452 20 70 BEIDRO CCCO[C@H]1CCC[N@H+](C[C@](C)(O)CC)CC1 ZINC000161027167 349363754 /nfs/dbraw/zinc/36/37/54/349363754.db2.gz XEOFHVZCUGXWOB-UONOGXRCSA-N 1 0 243.391 2.429 20 70 BEIDRO CSCC[NH2+][C@H](C)c1cscn1 ZINC000161137441 363119327 /nfs/dbraw/zinc/11/93/27/363119327.db2.gz CBWOTITYQVXGDS-SSDOTTSWSA-N 1 0 202.348 2.157 20 70 BEIDRO CCn1ccnc1C[NH2+]C[C@H]1CC1(C)C ZINC000217806282 363128989 /nfs/dbraw/zinc/12/89/89/363128989.db2.gz XEHLJNNXBYUKOC-SNVBAGLBSA-N 1 0 207.321 2.039 20 70 BEIDRO c1coc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1 ZINC000159521931 188158106 /nfs/dbraw/zinc/15/81/06/188158106.db2.gz SVNSCYHANHXNSE-AVGNSLFASA-N 1 0 233.311 2.327 20 70 BEIDRO C[C@H](CCC(C)(C)C)NC(=O)C(C)(C)[NH3+] ZINC000161229171 188177904 /nfs/dbraw/zinc/17/79/04/188177904.db2.gz LSNLSKHJTZFRNE-SECBINFHSA-N 1 0 214.353 2.055 20 70 BEIDRO CCCC[C@@H](CC)CC(=O)N1CCC[NH2+]CC1 ZINC000160844786 353273263 /nfs/dbraw/zinc/27/32/63/353273263.db2.gz LMVPCZSZRIXYLT-CYBMUJFWSA-N 1 0 240.391 2.415 20 70 BEIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)C2CCCCCC2)C1 ZINC000161312547 364472368 /nfs/dbraw/zinc/47/23/68/364472368.db2.gz SCPCYBWKRQCNKO-QWHCGFSZSA-N 1 0 238.375 2.343 20 70 BEIDRO [NH3+][C@H]1CCC[C@H](NC(=O)C2CCCCCC2)C1 ZINC000161312647 364475668 /nfs/dbraw/zinc/47/56/68/364475668.db2.gz SCPCYBWKRQCNKO-STQMWFEESA-N 1 0 238.375 2.343 20 70 BEIDRO CCCC[C@@H](CC)CC(=O)NCC(C)(C)[NH3+] ZINC000160006068 168955232 /nfs/dbraw/zinc/95/52/32/168955232.db2.gz QQDNCYOWQWRPLW-LLVKDONJSA-N 1 0 228.380 2.446 20 70 BEIDRO OCC[C@@H]1CCCC[N@@H+]1[C@H]1C=CCCC1 ZINC000161159018 183092737 /nfs/dbraw/zinc/09/27/37/183092737.db2.gz WCEYKTYJEBEYEV-STQMWFEESA-N 1 0 209.333 2.332 20 70 BEIDRO CCC[NH2+]CCNCc1cccc(Cl)c1 ZINC000161342972 169259757 /nfs/dbraw/zinc/25/97/57/169259757.db2.gz RHAFZGFCAFXDHE-UHFFFAOYSA-N 1 0 226.751 2.429 20 70 BEIDRO c1ccc(C[NH2+][C@H]2[C@H]3CCO[C@@H]3C23CCC3)nc1 ZINC000159621421 384346469 /nfs/dbraw/zinc/34/64/69/384346469.db2.gz HCQALCFCCICVSB-RDBSUJKOSA-N 1 0 244.338 2.129 20 70 BEIDRO Cc1cc(C)c(C(=O)NCC2([NH3+])CCCCC2)[nH]1 ZINC000159646073 384348848 /nfs/dbraw/zinc/34/88/48/384348848.db2.gz ZHQOBRZESNDASU-UHFFFAOYSA-N 1 0 249.358 2.023 20 70 BEIDRO CC(C)([NH3+])C(=O)N[C@H]1CCC[C@@H]1c1ccccc1 ZINC000159713963 384351975 /nfs/dbraw/zinc/35/19/75/384351975.db2.gz ZFGDNDLAJQBGGF-OLZOCXBDSA-N 1 0 246.354 2.176 20 70 BEIDRO Cc1ccc([C@@H]2CCCCN2C(=O)[C@@H](C)[NH3+])cc1 ZINC000159912439 384369196 /nfs/dbraw/zinc/36/91/96/384369196.db2.gz OTBCGZLXTKVIKI-OCCSQVGLSA-N 1 0 246.354 2.396 20 70 BEIDRO COC(C[N@@H+]1CCC[C@@H]1c1ccccc1)OC ZINC000160356313 384402085 /nfs/dbraw/zinc/40/20/85/384402085.db2.gz QWTIVEKDCJGFGG-CYBMUJFWSA-N 1 0 235.327 2.442 20 70 BEIDRO CC(C)[C@H]([NH3+])C(=O)N[C@H](C)[C@H](C)c1ccccc1 ZINC000160894149 384447047 /nfs/dbraw/zinc/44/70/47/384447047.db2.gz KYDXVOMPPKTLMN-SCRDCRAPSA-N 1 0 248.370 2.278 20 70 BEIDRO CCCC[N@H+](CC)CCCS(=O)(=O)C(C)C ZINC000160764766 384433705 /nfs/dbraw/zinc/43/37/05/384433705.db2.gz BARIMODLYXQJQL-UHFFFAOYSA-N 1 0 249.420 2.322 20 70 BEIDRO CCCCC[NH+]1CCN(Cc2ccncc2)CC1 ZINC000161139704 384466317 /nfs/dbraw/zinc/46/63/17/384466317.db2.gz MKEOSLVKJVMQNB-UHFFFAOYSA-N 1 0 247.386 2.389 20 70 BEIDRO Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]CCO ZINC000159683088 384473244 /nfs/dbraw/zinc/47/32/44/384473244.db2.gz JQNIUQGUJLNZQK-MRVPVSSYSA-N 1 0 228.361 2.218 20 70 BEIDRO Cc1ccc(CN(C)C[C@H]2CCC[N@H+](C)C2)o1 ZINC000161289966 384480465 /nfs/dbraw/zinc/48/04/65/384480465.db2.gz BUWVMTGGUTXDLX-ZDUSSCGKSA-N 1 0 236.359 2.362 20 70 BEIDRO COC(C[N@@H+]1CC[C@H](c2ccccc2)[C@H]1C)OC ZINC000161486800 384494634 /nfs/dbraw/zinc/49/46/34/384494634.db2.gz VJWSJLKWJLBTEK-OCCSQVGLSA-N 1 0 249.354 2.483 20 70 BEIDRO COC(=O)[C@H](C)[N@H+](C)CCC1CCCCC1 ZINC000160193315 384657933 /nfs/dbraw/zinc/65/79/33/384657933.db2.gz AMDDEHKCITZJDZ-NSHDSACASA-N 1 0 227.348 2.450 20 70 BEIDRO CCC(O)(CC)C[NH2+][C@H](C)c1cscn1 ZINC000161179360 384883337 /nfs/dbraw/zinc/88/33/37/384883337.db2.gz UMEZGWVWGRCUOK-SECBINFHSA-N 1 0 228.361 2.345 20 70 BEIDRO C[C@@H](CC[NH+](C)C)N[C@@H](C)c1cscn1 ZINC000161178232 384885173 /nfs/dbraw/zinc/88/51/73/384885173.db2.gz YBSZRLQZLWKSLI-UWVGGRQHSA-N 1 0 227.377 2.134 20 70 BEIDRO C[NH+](C)C[C@@H]1CCN(C(=O)CCC(C)(C)C)C1 ZINC000160275687 384844481 /nfs/dbraw/zinc/84/44/81/384844481.db2.gz HWCYSUCWSCXNBW-LBPRGKRZSA-N 1 0 240.391 2.223 20 70 BEIDRO COC[C@H](C)C[NH2+][C@@H](C)c1cscn1 ZINC000161168531 384865581 /nfs/dbraw/zinc/86/55/81/384865581.db2.gz VHCTWBWKFQKPOG-BDAKNGLRSA-N 1 0 214.334 2.076 20 70 BEIDRO COC[C@@H](C)C[NH2+][C@@H](C)c1cscn1 ZINC000161168415 384866410 /nfs/dbraw/zinc/86/64/10/384866410.db2.gz VHCTWBWKFQKPOG-IUCAKERBSA-N 1 0 214.334 2.076 20 70 BEIDRO [NH3+]C[C@@H]1CCCCN1C(=O)/C=C\c1ccccc1 ZINC000217594372 384914240 /nfs/dbraw/zinc/91/42/40/384914240.db2.gz FUJWUMLXLMECTG-CMUBDUJZSA-N 1 0 244.338 2.040 20 70 BEIDRO C[C@H](CCC(C)(C)C)NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000161231350 386729074 /nfs/dbraw/zinc/72/90/74/386729074.db2.gz MNFQUWHMFZXMGW-VXGBXAGGSA-N 1 0 240.391 2.317 20 70 BEIDRO COC[C@@H]([NH2+][C@H](C)c1cscn1)C(C)C ZINC000161211453 387151037 /nfs/dbraw/zinc/15/10/37/387151037.db2.gz HXKMGMQGRVZSBW-NXEZZACHSA-N 1 0 228.361 2.465 20 70 BEIDRO COCCC[N@H+](CCc1nccs1)C(C)C ZINC000159782887 388031653 /nfs/dbraw/zinc/03/16/53/388031653.db2.gz IJNIAQUMXJJADV-UHFFFAOYSA-N 1 0 242.388 2.433 20 70 BEIDRO CCc1ccc(C[NH2+]C(C)(C)[C@@H](C)O)o1 ZINC000160603131 388078716 /nfs/dbraw/zinc/07/87/16/388078716.db2.gz FGUJBXIBJLNDFK-SECBINFHSA-N 1 0 211.305 2.091 20 70 BEIDRO CCC[NH+](CCC)CCCS(=O)(=O)C(C)C ZINC000160764080 388086798 /nfs/dbraw/zinc/08/67/98/388086798.db2.gz AGEYYZPURFVRKT-UHFFFAOYSA-N 1 0 249.420 2.322 20 70 BEIDRO CCCC[C@@H](C(=O)OC)[NH+](CC)CC ZINC000160796873 388091226 /nfs/dbraw/zinc/09/12/26/388091226.db2.gz LHEPJBJMGVIHSH-JTQLQIEISA-N 1 0 201.310 2.060 20 70 BEIDRO CCCC[C@@H](C(=O)OC)[N@@H+]1CCC[C@@H](C)C1 ZINC000218201238 388577886 /nfs/dbraw/zinc/57/78/86/388577886.db2.gz JNNSVYXHZSQXIO-NEPJUHHUSA-N 1 0 227.348 2.450 20 70 BEIDRO CC(C)NC(=O)C[NH2+][C@H]1c2ccccc2C[C@@H]1C ZINC000160937604 133510894 /nfs/dbraw/zinc/51/08/94/133510894.db2.gz JILVBKKDPVNSRR-XHDPSFHLSA-N 1 0 246.354 2.034 20 70 BEIDRO C[C@H](CCO)C[NH2+]C/C=C\c1ccccc1 ZINC000218033343 134251624 /nfs/dbraw/zinc/25/16/24/134251624.db2.gz YYRLVSBLRXHPSE-DMTLFAOVSA-N 1 0 219.328 2.308 20 70 BEIDRO CCCc1nnc(SCCn2ccnc2)o1 ZINC000160181425 397768787 /nfs/dbraw/zinc/76/87/87/397768787.db2.gz KIZZFSRNFODFEF-UHFFFAOYSA-N 1 0 238.316 2.011 20 70 BEIDRO CC[C@]1(C)C[C@H]1C(=O)NCC1([NH3+])CCCCC1 ZINC000159590600 397948347 /nfs/dbraw/zinc/94/83/47/397948347.db2.gz ZRLKOKKTBVVSRS-WCQYABFASA-N 1 0 238.375 2.200 20 70 BEIDRO CC[C@H](C)N(C)CC[NH2+][C@@H]1CS[C@@H](C)C1 ZINC000217749608 411532451 /nfs/dbraw/zinc/53/24/51/411532451.db2.gz UNIGSKGMPQBISM-SRVKXCTJSA-N 1 0 230.421 2.200 20 70 BEIDRO CC[NH2+]CCNCc1cccc(C)c1C ZINC000161287283 170115660 /nfs/dbraw/zinc/11/56/60/170115660.db2.gz WRQPHTMKZSPDNP-UHFFFAOYSA-N 1 0 206.333 2.003 20 70 BEIDRO C[NH2+][C@@H]1CCN(C(=O)C[C@H](C)c2ccccc2)C1 ZINC000160597509 173435373 /nfs/dbraw/zinc/43/53/73/173435373.db2.gz XAOFZDRFZDZWCP-GXTWGEPZSA-N 1 0 246.354 2.001 20 70 BEIDRO CS[C@@H](C)C[NH2+]Cc1cc(O)cc(F)c1 ZINC000159616006 175543627 /nfs/dbraw/zinc/54/36/27/175543627.db2.gz QXGLYTUCXCFBTN-QMMMGPOBSA-N 1 0 229.320 2.372 20 70 BEIDRO C[C@@H](O)C[N@H+](C)[C@@H](C)c1ccc(F)cc1F ZINC000159565436 176016028 /nfs/dbraw/zinc/01/60/28/176016028.db2.gz IXNAYEJFHBJHHZ-BDAKNGLRSA-N 1 0 229.270 2.338 20 70 BEIDRO C[C@@H]1CC[N@H+](Cc2cc(O)cc(F)c2)C1 ZINC000159822356 176173485 /nfs/dbraw/zinc/17/34/85/176173485.db2.gz LVZKDJMRQADJPO-SECBINFHSA-N 1 0 209.264 2.373 20 70 BEIDRO C[C@@H]1C[C@@H](C)[N@H+](Cc2cccc(N)c2)C1 ZINC000160518009 176362799 /nfs/dbraw/zinc/36/27/99/176362799.db2.gz FGHFUURMSVFHRF-GHMZBOCLSA-N 1 0 204.317 2.499 20 70 BEIDRO C[C@@](O)(C[NH2+][C@@H]1CCSC1)c1ccsc1 ZINC000159893769 176518931 /nfs/dbraw/zinc/51/89/31/176518931.db2.gz ACDSZGAIAKKONP-GHMZBOCLSA-N 1 0 243.397 2.051 20 70 BEIDRO C[C@H]1C[C@H](c2ccccc2)CN1C(=O)C(C)(C)[NH3+] ZINC000160902904 177375699 /nfs/dbraw/zinc/37/56/99/177375699.db2.gz DKFMDNXGWFYDQV-AAEUAGOBSA-N 1 0 246.354 2.128 20 70 BEIDRO C[C@H]1[NH2+]CCC[C@H]1Nc1ccc(Cl)cn1 ZINC000160544009 177396383 /nfs/dbraw/zinc/39/63/83/177396383.db2.gz MCHQXMKKLMBYDB-PSASIEDQSA-N 1 0 225.723 2.287 20 70 BEIDRO CC(C)C[C@H]1CCN(C(=O)CC[NH2+]C(C)C)C1 ZINC000159610679 323040385 /nfs/dbraw/zinc/04/03/85/323040385.db2.gz MSOZXBWKVPGZBH-CYBMUJFWSA-N 1 0 240.391 2.269 20 70 BEIDRO CCN(CC)C(=O)C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000159654448 323042527 /nfs/dbraw/zinc/04/25/27/323042527.db2.gz WYTMNFILUCTCAU-STQMWFEESA-N 1 0 238.375 2.119 20 70 BEIDRO Cn1ccnc1C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000160874876 323137810 /nfs/dbraw/zinc/13/78/10/323137810.db2.gz IASQIBHUDRRASL-AWEZNQCLSA-N 1 0 241.338 2.410 20 70 BEIDRO CC(C)[NH2+]CCC(=O)N1C[C@@H](C)CCC[C@@H]1C ZINC000160935303 323139531 /nfs/dbraw/zinc/13/95/31/323139531.db2.gz DJYYUVFOMLTIOJ-STQMWFEESA-N 1 0 240.391 2.412 20 70 BEIDRO CCCn1c(C)nnc1C[N@@H+]1CC[C@@H](CC)C1 ZINC000160942065 323139772 /nfs/dbraw/zinc/13/97/72/323139772.db2.gz ABOUCLSILMEQHW-GFCCVEGCSA-N 1 0 236.363 2.228 20 70 BEIDRO Cc1ccnc(N[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000161184116 323151150 /nfs/dbraw/zinc/15/11/50/323151150.db2.gz UIFIFYRFPFHOTL-NEPJUHHUSA-N 1 0 219.332 2.285 20 70 BEIDRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1CC1(C)C ZINC000161328087 323497659 /nfs/dbraw/zinc/49/76/59/323497659.db2.gz AXCXBTJMWPZHQJ-RYUDHWBXSA-N 1 0 240.391 2.125 20 70 BEIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)CCc2ccccc2)C1 ZINC000161198303 487484747 /nfs/dbraw/zinc/48/47/47/487484747.db2.gz BGJAMGDICSASRC-ZIAGYGMSSA-N 1 0 246.354 2.005 20 70 BEIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)CCC2CCCC2)C1 ZINC000161198812 487484955 /nfs/dbraw/zinc/48/49/55/487484955.db2.gz FTOOYBCZMBNPCX-CHWSQXEVSA-N 1 0 238.375 2.343 20 70 BEIDRO CC(C)(C)CCC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000161455069 487497457 /nfs/dbraw/zinc/49/74/57/487497457.db2.gz KVSILEKEQCTIHE-MNOVXSKESA-N 1 0 226.364 2.199 20 70 BEIDRO CCC(CC)CC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000161448515 487497505 /nfs/dbraw/zinc/49/75/05/487497505.db2.gz IURRWQHZRVLHMT-NWDGAFQWSA-N 1 0 226.364 2.199 20 70 BEIDRO Cc1ccc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c(C)c1 ZINC000160974691 488183433 /nfs/dbraw/zinc/18/34/33/488183433.db2.gz YHGHGJGHTMWOEP-QWHCGFSZSA-N 1 0 246.354 2.303 20 70 BEIDRO CCCC[C@H](CC)CC(=O)N1CC[C@H]([NH2+]C)C1 ZINC000160589232 491078784 /nfs/dbraw/zinc/07/87/84/491078784.db2.gz OQLAAWSEBMRILD-STQMWFEESA-N 1 0 240.391 2.413 20 70 BEIDRO CCC(CC)(CO)C[NH2+]C1CCSCC1 ZINC000159657273 534990930 /nfs/dbraw/zinc/99/09/30/534990930.db2.gz ZZESKWOMFRXVMU-UHFFFAOYSA-N 1 0 231.405 2.270 20 70 BEIDRO C[N@H+](CCN1CCCC1)CC1CCCC1 ZINC000161503560 536371699 /nfs/dbraw/zinc/37/16/99/536371699.db2.gz CTCVZZDJFRYSJQ-UHFFFAOYSA-N 1 0 210.365 2.204 20 70 BEIDRO CC[C@@H](C(=O)Nc1ncc(Cl)s1)[NH+](C)C ZINC000161246226 538914786 /nfs/dbraw/zinc/91/47/86/538914786.db2.gz IFUHVFGEPCSCSC-LURJTMIESA-N 1 0 247.751 2.075 20 70 BEIDRO CC[C@@H]1CCCC[N@@H+]1CCCCS(C)(=O)=O ZINC000161076553 538913989 /nfs/dbraw/zinc/91/39/89/538913989.db2.gz VDVKMCIOSIAFPS-GFCCVEGCSA-N 1 0 247.404 2.076 20 70 BEIDRO CC[C@H](C)C[C@H](CC)[NH2+][C@@H](C)CC(N)=O ZINC000160680871 342889641 /nfs/dbraw/zinc/88/96/41/342889641.db2.gz QLMCZMAEBMTMPP-DCAQKATOSA-N 1 0 214.353 2.055 20 70 BEIDRO C[C@@H]([NH2+]CC1CCC(C)CC1)[C@H](C)CO ZINC000160706490 342908593 /nfs/dbraw/zinc/90/85/93/342908593.db2.gz DVESHVUWEQEECB-QZQSVVMZSA-N 1 0 213.365 2.419 20 70 BEIDRO COC[C@@H]([NH2+]C[C@@](C)(O)CCC(C)C)C1CC1 ZINC000159445355 345434249 /nfs/dbraw/zinc/43/42/49/345434249.db2.gz KONXEGFIHJMPNH-KGLIPLIRSA-N 1 0 243.391 2.188 20 70 BEIDRO C(C[NH+]1CCN(C2CC2)CC1)C1CCCC1 ZINC000159717706 345503438 /nfs/dbraw/zinc/50/34/38/345503438.db2.gz HCZHSTWCSLDOFI-UHFFFAOYSA-N 1 0 222.376 2.347 20 70 BEIDRO CC(C)(C)CCCNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000160539728 345504437 /nfs/dbraw/zinc/50/44/37/345504437.db2.gz IHPSMOJAFWYRQW-NSHDSACASA-N 1 0 226.364 2.071 20 70 BEIDRO COC(=O)CC[N@@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000159872365 345576639 /nfs/dbraw/zinc/57/66/39/345576639.db2.gz JOBYGROLACRJMA-CYBMUJFWSA-N 1 0 248.326 2.090 20 70 BEIDRO Cc1cccc([C@H](C)C(=O)N2CCC[C@@H]2C[NH3+])c1 ZINC000160149289 345805787 /nfs/dbraw/zinc/80/57/87/345805787.db2.gz GKPVHOMTKCDSHN-GXTWGEPZSA-N 1 0 246.354 2.048 20 70 BEIDRO CC[N@@H+](Cc1ccc(CO)o1)CC(C)C ZINC000161158551 346029565 /nfs/dbraw/zinc/02/95/65/346029565.db2.gz ZJDICICMJRONCD-UHFFFAOYSA-N 1 0 211.305 2.250 20 70 BEIDRO CC[C@@](C)(O)C[N@@H+]1CCC2(CCCC2)C1 ZINC000161318570 346168800 /nfs/dbraw/zinc/16/88/00/346168800.db2.gz LFOHKXDVYJSZEE-GFCCVEGCSA-N 1 0 211.349 2.414 20 70 BEIDRO CCN1CCCC[C@H]1C[NH2+][C@@H](COC)C(C)C ZINC000161199061 346479582 /nfs/dbraw/zinc/47/95/82/346479582.db2.gz FEWPJTRIXNVPAI-KBPBESRZSA-N 1 0 242.407 2.121 20 70 BEIDRO CC(C)C[C@H]1CCC[N@@H+]1Cc1nccn1C ZINC000160886243 323137566 /nfs/dbraw/zinc/13/75/66/323137566.db2.gz ONMVDHFXFNOSEN-GFCCVEGCSA-N 1 0 221.348 2.431 20 70 BEIDRO Cc1ccnc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000161182943 179456450 /nfs/dbraw/zinc/45/64/50/179456450.db2.gz VYTDINQWXPKYPK-CHWSQXEVSA-N 1 0 231.343 2.429 20 70 BEIDRO C[C@@H]([NH3+])C(=O)N[C@@H](C)CCC1CCCCC1 ZINC000160914458 349338398 /nfs/dbraw/zinc/33/83/98/349338398.db2.gz SZFLCAHTFIWDDR-WDEREUQCSA-N 1 0 226.364 2.199 20 70 BEIDRO CCN1CCCC[C@@H]1C[NH2+][C@@H](COC)C(C)C ZINC000161198933 349409598 /nfs/dbraw/zinc/40/95/98/349409598.db2.gz FEWPJTRIXNVPAI-KGLIPLIRSA-N 1 0 242.407 2.121 20 70 BEIDRO CC1(C)CCC[N@@H+]1Cc1ccc(CO)o1 ZINC000161166727 349382320 /nfs/dbraw/zinc/38/23/20/349382320.db2.gz RHBLTGJRAQMQBR-UHFFFAOYSA-N 1 0 209.289 2.146 20 70 BEIDRO CC(C)C[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000161395584 349428571 /nfs/dbraw/zinc/42/85/71/349428571.db2.gz DEWBUTGVGKGNGR-GFCCVEGCSA-N 1 0 248.374 2.060 20 70 BEIDRO CC[C@@H](CSC)[NH2+]CC1(O)CCCC1 ZINC000217329803 357846283 /nfs/dbraw/zinc/84/62/83/357846283.db2.gz OJMWJPNYPNNKIX-JTQLQIEISA-N 1 0 217.378 2.023 20 70 BEIDRO [NH3+]C1(C(=O)N2CCC3(CCC3)C2)CCCCC1 ZINC000160627067 181325030 /nfs/dbraw/zinc/32/50/30/181325030.db2.gz VTOZDDVANPKDNJ-UHFFFAOYSA-N 1 0 236.359 2.051 20 70 BEIDRO Cc1csc(-c2nc3c(s2)C[NH2+]CC3)n1 ZINC000159645096 361275604 /nfs/dbraw/zinc/27/56/04/361275604.db2.gz OTPLNBHEKSOHFZ-UHFFFAOYSA-N 1 0 237.353 2.221 20 70 BEIDRO CC1(C)C[C@@H]([NH2+]C2CCSCC2)CCO1 ZINC000160538934 361318110 /nfs/dbraw/zinc/31/81/10/361318110.db2.gz OQDIHADNVZWDAS-NSHDSACASA-N 1 0 229.389 2.429 20 70 BEIDRO Cc1ccccc1C[NH2+]C(C)(C)[C@H](C)O ZINC000160610541 361320710 /nfs/dbraw/zinc/32/07/10/361320710.db2.gz DCSMWGSCDOTRGR-NSHDSACASA-N 1 0 207.317 2.244 20 70 BEIDRO C[C@@H]([NH2+]CCO)c1nc(-c2ccccc2)cs1 ZINC000159714577 384350429 /nfs/dbraw/zinc/35/04/29/384350429.db2.gz FUSPLHMKJRHMRY-SNVBAGLBSA-N 1 0 248.351 2.453 20 70 BEIDRO C[C@H]([NH2+]CCO)c1nc(-c2ccccc2)cs1 ZINC000159714462 384350915 /nfs/dbraw/zinc/35/09/15/384350915.db2.gz FUSPLHMKJRHMRY-JTQLQIEISA-N 1 0 248.351 2.453 20 70 BEIDRO CC[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@H]1c1ccccc1 ZINC000159722803 384351191 /nfs/dbraw/zinc/35/11/91/384351191.db2.gz KWMQODOZKGMKHI-MELADBBJSA-N 1 0 246.354 2.176 20 70 BEIDRO CC(C)[C@H](c1ccccc1)N(C)C(=O)[C@H](C)[NH3+] ZINC000159755485 384354674 /nfs/dbraw/zinc/35/46/74/384354674.db2.gz ODZSFYKHIRUEKN-WCQYABFASA-N 1 0 234.343 2.189 20 70 BEIDRO CC[C@H]([NH3+])C(=O)N1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000160905285 384446764 /nfs/dbraw/zinc/44/67/64/384446764.db2.gz NSIRORIJSMHRKF-UBHSHLNASA-N 1 0 246.354 2.128 20 70 BEIDRO COC(C[N@H+](C)Cc1ccc(C)s1)OC ZINC000160880650 384443319 /nfs/dbraw/zinc/44/33/19/384443319.db2.gz UALCPULMLQOSOD-UHFFFAOYSA-N 1 0 229.345 2.107 20 70 BEIDRO COC(C[N@@H+]1C[C@H](c2ccccc2)C[C@@H]1C)OC ZINC000161129132 384466224 /nfs/dbraw/zinc/46/62/24/384466224.db2.gz GIBINJGIGLOFIE-GXTWGEPZSA-N 1 0 249.354 2.483 20 70 BEIDRO CC[C@H]([NH3+])C(=O)NC(C)(C)c1cccc(C)c1 ZINC000161162413 384469740 /nfs/dbraw/zinc/46/97/40/384469740.db2.gz OXWXBZHHXBJKBU-LBPRGKRZSA-N 1 0 234.343 2.084 20 70 BEIDRO COC(C[N@@H+]1CC[C@H](Cc2ccccc2)C1)OC ZINC000161233016 384477814 /nfs/dbraw/zinc/47/78/14/384477814.db2.gz FSMXJDYYJDBBEQ-CQSZACIVSA-N 1 0 249.354 2.170 20 70 BEIDRO C[N@@H+](CCc1ccc(F)cc1)CCn1ccnc1 ZINC000161452655 384491125 /nfs/dbraw/zinc/49/11/25/384491125.db2.gz LNUZRXFNNLZQAY-UHFFFAOYSA-N 1 0 247.317 2.197 20 70 BEIDRO CC[C@H](CSC)[NH2+]Cc1ncc(Cl)n1C ZINC000217329693 384585472 /nfs/dbraw/zinc/58/54/72/384585472.db2.gz BXWJHXPKYOFYRU-MRVPVSSYSA-N 1 0 247.795 2.305 20 70 BEIDRO C[C@H]([NH2+]CCC(C)(C)O)[C@@H]1COc2ccccc21 ZINC000160154687 384644554 /nfs/dbraw/zinc/64/45/54/384644554.db2.gz QETSCAFKHHMBQT-AAEUAGOBSA-N 1 0 249.354 2.302 20 70 BEIDRO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)c1cscn1 ZINC000161154897 384851395 /nfs/dbraw/zinc/85/13/95/384851395.db2.gz WQWOEWQMCUONAP-QXEWZRGKSA-N 1 0 226.345 2.361 20 70 BEIDRO C[C@@H]1CCC[C@@H](C[NH2+]C2(CO)CCC2)C1 ZINC000161250577 384951495 /nfs/dbraw/zinc/95/14/95/384951495.db2.gz PTEXGYCDUADCRI-VXGBXAGGSA-N 1 0 211.349 2.317 20 70 BEIDRO COc1ncccc1CNc1cc[nH+]c(C)c1 ZINC000160917016 385925623 /nfs/dbraw/zinc/92/56/23/385925623.db2.gz WKWZEDRIARGWLO-UHFFFAOYSA-N 1 0 229.283 2.406 20 70 BEIDRO CCC[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH2+]2)C1 ZINC000161443530 386034499 /nfs/dbraw/zinc/03/44/99/386034499.db2.gz MBRSIGKDYHQFAM-CHWSQXEVSA-N 1 0 238.375 2.167 20 70 BEIDRO CSC[C@@H](CCO)[NH2+][C@H](C)C1CCCC1 ZINC000160380303 386461801 /nfs/dbraw/zinc/46/18/01/386461801.db2.gz BAUFFKRCFNWUDY-ZYHUDNBSSA-N 1 0 231.405 2.269 20 70 BEIDRO C[C@H](CCC1CCCCC1)NC(=O)[C@H](C)[NH3+] ZINC000160914082 386540173 /nfs/dbraw/zinc/54/01/73/386540173.db2.gz SZFLCAHTFIWDDR-MNOVXSKESA-N 1 0 226.364 2.199 20 70 BEIDRO CCC([NH3+])(CC)CNC(=O)[C@@H]1C[C@@]1(C)CC ZINC000160484346 387096933 /nfs/dbraw/zinc/09/69/33/387096933.db2.gz JPDQPDTTXZRNEY-CMPLNLGQSA-N 1 0 226.364 2.056 20 70 BEIDRO CCC([NH3+])(CC)CNC(=O)C[C@@H]1CC[C@@H](C)C1 ZINC000160503868 387101679 /nfs/dbraw/zinc/10/16/79/387101679.db2.gz AGDAILRYGGGIMD-VXGBXAGGSA-N 1 0 240.391 2.446 20 70 BEIDRO CCCN(CCOCC1CC1)CC(F)F ZINC000159915427 388037926 /nfs/dbraw/zinc/03/79/26/388037926.db2.gz CJYIBUJMPPHNCR-UHFFFAOYSA-N 1 0 221.291 2.390 20 70 BEIDRO Cc1cnc(C(C)(C)[NH2+]CCC(C)(C)O)s1 ZINC000159818401 388031857 /nfs/dbraw/zinc/03/18/57/388031857.db2.gz HCXAGXLZGRAXBD-UHFFFAOYSA-N 1 0 242.388 2.437 20 70 BEIDRO Cc1ccc(C[NH2+]C(C)(C)[C@H](C)O)cc1 ZINC000160605189 388078523 /nfs/dbraw/zinc/07/85/23/388078523.db2.gz NFEJQIWHFLMOFY-NSHDSACASA-N 1 0 207.317 2.244 20 70 BEIDRO C[C@@H](O)C(C)(C)[NH2+]Cc1ccc(F)cc1 ZINC000160622914 388080225 /nfs/dbraw/zinc/08/02/25/388080225.db2.gz ZHIHJXTZVKDKMR-SECBINFHSA-N 1 0 211.280 2.075 20 70 BEIDRO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccnn1CC ZINC000160131762 388048186 /nfs/dbraw/zinc/04/81/86/388048186.db2.gz YZWQBVASDLGLJK-MNOVXSKESA-N 1 0 209.337 2.427 20 70 BEIDRO CCc1ccccc1C(=O)NC1CC[NH+](C)CC1 ZINC000160692264 397771988 /nfs/dbraw/zinc/77/19/88/397771988.db2.gz TXORGJCQSDEAIF-UHFFFAOYSA-N 1 0 246.354 2.073 20 70 BEIDRO C[C@@H]([NH2+][C@H](CCO)c1ccccc1)[C@H]1CCOC1 ZINC000160973625 397772839 /nfs/dbraw/zinc/77/28/39/397772839.db2.gz XXIJCGRCYYMBED-VHDGCEQUSA-N 1 0 249.354 2.125 20 70 BEIDRO C[NH+]1CCN(Cc2ccc3occc3c2)CC1 ZINC000218007714 398098889 /nfs/dbraw/zinc/09/88/89/398098889.db2.gz YKHAYRIGUNZYJF-UHFFFAOYSA-N 1 0 230.311 2.180 20 70 BEIDRO CC[NH2+]CCNCc1c(F)cccc1Cl ZINC000161320427 170115268 /nfs/dbraw/zinc/11/52/68/170115268.db2.gz MJCPBRWSHMSNAU-UHFFFAOYSA-N 1 0 230.714 2.178 20 70 BEIDRO CC[NH2+]CCNCc1cccc(Cl)c1F ZINC000161303539 170115537 /nfs/dbraw/zinc/11/55/37/170115537.db2.gz HPKGPLLFVYGDMD-UHFFFAOYSA-N 1 0 230.714 2.178 20 70 BEIDRO CC[NH2+]CCNCc1ccc(Cl)cc1F ZINC000161307639 170115885 /nfs/dbraw/zinc/11/58/85/170115885.db2.gz RQBHNMXGKKPJTL-UHFFFAOYSA-N 1 0 230.714 2.178 20 70 BEIDRO CCOCC[N@H+](CC)Cc1cnc2ccccn12 ZINC000160240751 170396463 /nfs/dbraw/zinc/39/64/63/170396463.db2.gz LLUXWKCMQPOGAV-UHFFFAOYSA-N 1 0 247.342 2.193 20 70 BEIDRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccnn1CC ZINC000160131497 170774352 /nfs/dbraw/zinc/77/43/52/170774352.db2.gz YZWQBVASDLGLJK-GHMZBOCLSA-N 1 0 209.337 2.427 20 70 BEIDRO CC[C@@]1(C)CCCN(C(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000160777780 171199584 /nfs/dbraw/zinc/19/95/84/171199584.db2.gz QIBKSHTZDOFFON-JSGCOSHPSA-N 1 0 238.375 2.025 20 70 BEIDRO CC[C@H](C)[C@H](C)[NH2+]Cc1ccnn1CC ZINC000160131879 171389918 /nfs/dbraw/zinc/38/99/18/171389918.db2.gz YZWQBVASDLGLJK-QWRGUYRKSA-N 1 0 209.337 2.427 20 70 BEIDRO C[C@@H]1CCC[C@@H](C)N(C(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000160936119 176114871 /nfs/dbraw/zinc/11/48/71/176114871.db2.gz FVGBALZWDWSBJH-JHJVBQTASA-N 1 0 238.375 2.023 20 70 BEIDRO C[C@H]1C[N@@H+](Cc2cnc(N)s2)CC[C@@H]1C ZINC000161284041 177167119 /nfs/dbraw/zinc/16/71/19/177167119.db2.gz DNBGBQMVPCFCBZ-IUCAKERBSA-N 1 0 225.361 2.203 20 70 BEIDRO CC(C)OC(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000160327602 323064851 /nfs/dbraw/zinc/06/48/51/323064851.db2.gz NPAHWUCBUSIULH-LBPRGKRZSA-N 1 0 242.363 2.386 20 70 BEIDRO CC[N@H+](CCc1ccccc1)Cc1nccn1C ZINC000160799529 323135897 /nfs/dbraw/zinc/13/58/97/323135897.db2.gz BCFIRTMMBBNCPU-UHFFFAOYSA-N 1 0 243.354 2.485 20 70 BEIDRO Cc1cscc1C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000161270037 487487377 /nfs/dbraw/zinc/48/73/77/487487377.db2.gz RUWFHRLLLLQRQQ-NXEZZACHSA-N 1 0 238.356 2.056 20 70 BEIDRO CCC(CC)CC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000161448643 487497113 /nfs/dbraw/zinc/49/71/13/487497113.db2.gz IURRWQHZRVLHMT-RYUDHWBXSA-N 1 0 226.364 2.199 20 70 BEIDRO CCCC[C@@H](CC)CC(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000160589361 491078802 /nfs/dbraw/zinc/07/88/02/491078802.db2.gz OQLAAWSEBMRILD-CHWSQXEVSA-N 1 0 240.391 2.413 20 70 BEIDRO CC[C@H]1CCCC[N@@H+]1CCCCS(C)(=O)=O ZINC000161076660 538913995 /nfs/dbraw/zinc/91/39/95/538913995.db2.gz VDVKMCIOSIAFPS-LBPRGKRZSA-N 1 0 247.404 2.076 20 70 BEIDRO NC(=O)C[C@@H]1CCCC[N@@H+]1CCC1CCCC1 ZINC000159857927 323050831 /nfs/dbraw/zinc/05/08/31/323050831.db2.gz YLZXJQVEBULRMG-ZDUSSCGKSA-N 1 0 238.375 2.297 20 70 BEIDRO CC[C@H](C(=O)N1CCCC(C)(C)CC1)[NH+](C)C ZINC000160047419 323058617 /nfs/dbraw/zinc/05/86/17/323058617.db2.gz VTEJYYYLWVUBID-GFCCVEGCSA-N 1 0 240.391 2.365 20 70 BEIDRO CCSCC[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000159430066 345433319 /nfs/dbraw/zinc/43/33/19/345433319.db2.gz NIXGRWSPQWDGAB-LLVKDONJSA-N 1 0 239.388 2.342 20 70 BEIDRO CCc1cccc(NC(=O)NC2CC[NH2+]CC2)c1 ZINC000218608208 345745067 /nfs/dbraw/zinc/74/50/67/345745067.db2.gz REAZRYSBFZBOMH-UHFFFAOYSA-N 1 0 247.342 2.123 20 70 BEIDRO OCCC[NH2+]C1CCC2(CCCC2)CC1 ZINC000161361281 346171014 /nfs/dbraw/zinc/17/10/14/346171014.db2.gz TWFMWGPJSVEJPY-UHFFFAOYSA-N 1 0 211.349 2.461 20 70 BEIDRO C[C@H](O)C[NH2+]C1CCC2(CCCC2)CC1 ZINC000161362750 346171369 /nfs/dbraw/zinc/17/13/69/346171369.db2.gz JEVRRFSHOYEJET-NSHDSACASA-N 1 0 211.349 2.460 20 70 BEIDRO CC(C)C[C@@H]1CCN(C(=O)CC[NH2+]C(C)C)C1 ZINC000159610541 346215751 /nfs/dbraw/zinc/21/57/51/346215751.db2.gz MSOZXBWKVPGZBH-ZDUSSCGKSA-N 1 0 240.391 2.269 20 70 BEIDRO Cc1cccc([C@@H](C)[NH2+]CC(=O)NC(C)C)c1C ZINC000160922767 179179942 /nfs/dbraw/zinc/17/99/42/179179942.db2.gz YEERGSQJCPEUSY-CYBMUJFWSA-N 1 0 248.370 2.479 20 70 BEIDRO Cn1ccnc1C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000160889166 349340838 /nfs/dbraw/zinc/34/08/38/349340838.db2.gz QNHFAIKOXMFUHZ-RYUDHWBXSA-N 1 0 219.332 2.185 20 70 BEIDRO Cc1ccc(C)c([C@H](C)N(C)C(=O)[C@H](C)[NH3+])c1 ZINC000161306885 349419372 /nfs/dbraw/zinc/41/93/72/349419372.db2.gz PIGJQFOAFLSWRD-RYUDHWBXSA-N 1 0 234.343 2.170 20 70 BEIDRO Cc1ncc(C[N@@H+]2CCCSCC2)s1 ZINC000161481514 180142018 /nfs/dbraw/zinc/14/20/18/180142018.db2.gz BDJIWYDOCGTUCT-UHFFFAOYSA-N 1 0 228.386 2.390 20 70 BEIDRO CC(C)([NH3+])CNC(=O)C(C)(C)Cc1ccccc1 ZINC000160004020 191117777 /nfs/dbraw/zinc/11/77/77/191117777.db2.gz KFSFATROZGMLPI-UHFFFAOYSA-N 1 0 248.370 2.109 20 70 BEIDRO C[C@H]([NH2+]C[C@@H]1CCCCO1)c1cscn1 ZINC000161171502 351122126 /nfs/dbraw/zinc/12/21/26/351122126.db2.gz YJUJIOGTQFYETN-UWVGGRQHSA-N 1 0 226.345 2.363 20 70 BEIDRO CC(C)[C@H]1CCCCN1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000160426516 187830056 /nfs/dbraw/zinc/83/00/56/187830056.db2.gz IGGRLCHMJQAFCD-CHWSQXEVSA-N 1 0 238.375 2.023 20 70 BEIDRO C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)C(C)(C)[NH3+] ZINC000160902777 188159849 /nfs/dbraw/zinc/15/98/49/188159849.db2.gz DKFMDNXGWFYDQV-YPMHNXCESA-N 1 0 246.354 2.128 20 70 BEIDRO CC[NH+](CC)CC(=O)NC1[C@@H](C)CCC[C@@H]1C ZINC000217422521 357260699 /nfs/dbraw/zinc/26/06/99/357260699.db2.gz RECKISPZICHUQW-RYUDHWBXSA-N 1 0 240.391 2.269 20 70 BEIDRO C[C@H]1CCC[C@@H](C[NH2+]C2(CO)CCC2)C1 ZINC000161250686 200710002 /nfs/dbraw/zinc/71/00/02/200710002.db2.gz PTEXGYCDUADCRI-NWDGAFQWSA-N 1 0 211.349 2.317 20 70 BEIDRO CCCC[C@@H](SCC[NH+](C)C)C(=O)OC ZINC000160998003 361335328 /nfs/dbraw/zinc/33/53/28/361335328.db2.gz CXYUBPKLLTXGNM-SNVBAGLBSA-N 1 0 233.377 2.013 20 70 BEIDRO CCC[NH+](CCC)Cc1nc(CC)cc(=O)[nH]1 ZINC000160764368 169150243 /nfs/dbraw/zinc/15/02/43/169150243.db2.gz JIQZGQCURBECHM-UHFFFAOYSA-N 1 0 237.347 2.367 20 70 BEIDRO c1cc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)ccn1 ZINC000159622208 183354067 /nfs/dbraw/zinc/35/40/67/183354067.db2.gz LWKSHOHKIAFUOL-IHRRRGAJSA-N 1 0 244.338 2.129 20 70 BEIDRO CCC[NH2+]CCNCc1ccccc1C ZINC000161358515 169259334 /nfs/dbraw/zinc/25/93/34/169259334.db2.gz JUJUIIGTPBFTSR-UHFFFAOYSA-N 1 0 206.333 2.084 20 70 BEIDRO COC[C@@H]([NH2+]CCC(C)(C)O)c1ccc(C)o1 ZINC000159672527 384348503 /nfs/dbraw/zinc/34/85/03/384348503.db2.gz UADVKDHUPXEYSH-LLVKDONJSA-N 1 0 241.331 2.026 20 70 BEIDRO CC(C)([NH3+])C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000159713815 384350238 /nfs/dbraw/zinc/35/02/38/384350238.db2.gz ZFGDNDLAJQBGGF-CHWSQXEVSA-N 1 0 246.354 2.176 20 70 BEIDRO COC[C@@H](C)[NH2+]CCC1Cc2ccccc2C1 ZINC000159731116 384351851 /nfs/dbraw/zinc/35/18/51/384351851.db2.gz BBHYCUHBVCNXOH-GFCCVEGCSA-N 1 0 233.355 2.416 20 70 BEIDRO C[C@@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1ccccn1 ZINC000159373396 384326219 /nfs/dbraw/zinc/32/62/19/384326219.db2.gz PQLLCPSLUQVKSB-UPJWGTAASA-N 1 0 234.343 2.283 20 70 BEIDRO CCSCCN1CCC([NH2+]C(C)C)CC1 ZINC000160497092 384415473 /nfs/dbraw/zinc/41/54/73/384415473.db2.gz FCUNDHDUWWTBHP-UHFFFAOYSA-N 1 0 230.421 2.202 20 70 BEIDRO C[N@H+](CCCC(=O)c1ccccc1)[C@@H]1CCOC1 ZINC000160046886 384382348 /nfs/dbraw/zinc/38/23/48/384382348.db2.gz KLQWWZAKHWBCBQ-CQSZACIVSA-N 1 0 247.338 2.370 20 70 BEIDRO CCCc1nc(Cn2cnc3c2CCCC3)no1 ZINC000160720804 384429672 /nfs/dbraw/zinc/42/96/72/384429672.db2.gz FAAYPMZRBIQNJD-UHFFFAOYSA-N 1 0 246.314 2.146 20 70 BEIDRO CCc1cc(=O)[nH]c(C[N@H+]2CCC[C@H](CC)C2)n1 ZINC000160819090 384437494 /nfs/dbraw/zinc/43/74/94/384437494.db2.gz FSHVVCJXNSRFMU-NSHDSACASA-N 1 0 249.358 2.367 20 70 BEIDRO COC(C[N@H+](C)[C@@H]1CCc2ccccc2C1)OC ZINC000161117962 384464916 /nfs/dbraw/zinc/46/49/16/384464916.db2.gz YWOCMRCDHREVLL-CQSZACIVSA-N 1 0 249.354 2.095 20 70 BEIDRO CC[C@@H](CSC)[NH2+]Cc1cncn1CC ZINC000217327739 384478699 /nfs/dbraw/zinc/47/86/99/384478699.db2.gz BLQZWHULJIOGDK-JTQLQIEISA-N 1 0 227.377 2.134 20 70 BEIDRO CC[C@H](CSC)[NH2+]Cc1cncn1CC ZINC000217327741 384479433 /nfs/dbraw/zinc/47/94/33/384479433.db2.gz BLQZWHULJIOGDK-SNVBAGLBSA-N 1 0 227.377 2.134 20 70 BEIDRO CN(CC[C@H]1CCC[N@@H+]1C)Cc1ccco1 ZINC000161292242 384480841 /nfs/dbraw/zinc/48/08/41/384480841.db2.gz YAVBXJOWCZIJRT-GFCCVEGCSA-N 1 0 222.332 2.196 20 70 BEIDRO C[N@H+](CCC[NH+]1CCCCC1)C1CCC1 ZINC000161270245 384481154 /nfs/dbraw/zinc/48/11/54/384481154.db2.gz BRGIJBOIEQUUPK-UHFFFAOYSA-N 1 0 210.365 2.347 20 70 BEIDRO CCCc1ccc(C(=O)NCC(C)(C)[NH3+])cc1 ZINC000160080120 384737104 /nfs/dbraw/zinc/73/71/04/384737104.db2.gz LTWZDDFNIZHWDH-UHFFFAOYSA-N 1 0 234.343 2.106 20 70 BEIDRO C[C@H]([NH2+]C[C@@H]1CCCOC1)c1cscn1 ZINC000161160063 384858137 /nfs/dbraw/zinc/85/81/37/384858137.db2.gz SBMABHBEKLGUGY-UWVGGRQHSA-N 1 0 226.345 2.220 20 70 BEIDRO C[C@H]([NH2+][C@H]1CCCC[C@@H]1O)c1cscn1 ZINC000161199083 384911135 /nfs/dbraw/zinc/91/11/35/384911135.db2.gz JQXBHYOYZBRUHQ-QXEWZRGKSA-N 1 0 226.345 2.097 20 70 BEIDRO CC(=O)NC1CCC([NH2+]CCC(C)C)CC1 ZINC000161215040 384924828 /nfs/dbraw/zinc/92/48/28/384924828.db2.gz IJDYDXKJYVIJKD-UHFFFAOYSA-N 1 0 226.364 2.069 20 70 BEIDRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)CCC(C)(C)C ZINC000161231745 384944690 /nfs/dbraw/zinc/94/46/90/384944690.db2.gz POEANHZTCQPQJR-QWRGUYRKSA-N 1 0 228.380 2.301 20 70 BEIDRO CC[C@@](C)(O)C[N@@H+]1CCS[C@H](C(C)C)C1 ZINC000161325585 384969212 /nfs/dbraw/zinc/96/92/12/384969212.db2.gz QWAOENLXTYWYLC-NWDGAFQWSA-N 1 0 231.405 2.221 20 70 BEIDRO C[C@H](NC(=O)CC[NH3+])c1ccc(F)cc1Cl ZINC000161150057 386596460 /nfs/dbraw/zinc/59/64/60/386596460.db2.gz GYYILUWXJUSLTB-ZETCQYMHSA-N 1 0 244.697 2.005 20 70 BEIDRO C[C@H]([NH3+])C(=O)N[C@@H](C)c1ccc(F)cc1Cl ZINC000161149821 386596490 /nfs/dbraw/zinc/59/64/90/386596490.db2.gz ZJSAIKJCTYHHAW-BQBZGAKWSA-N 1 0 244.697 2.004 20 70 BEIDRO C[C@@H](CCC(C)(C)C)NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000161231250 386608666 /nfs/dbraw/zinc/60/86/66/386608666.db2.gz MNFQUWHMFZXMGW-NWDGAFQWSA-N 1 0 240.391 2.317 20 70 BEIDRO CC[C@H](O)C[N@H+](CCc1nccs1)C(C)C ZINC000159888977 388036701 /nfs/dbraw/zinc/03/67/01/388036701.db2.gz OTGCVQJNAMOXSK-NSHDSACASA-N 1 0 242.388 2.167 20 70 BEIDRO CCCn1ccc2ccc(NC(=O)[C@@H](C)[NH3+])cc21 ZINC000161281526 388659428 /nfs/dbraw/zinc/65/94/28/388659428.db2.gz LWKURIDTLPLSMN-SNVBAGLBSA-N 1 0 245.326 2.337 20 70 BEIDRO CC[C@H](C)C[N@H+](C)C[C@@H](O)C(C)(C)C ZINC000216913223 134177758 /nfs/dbraw/zinc/17/77/58/134177758.db2.gz GFJIRHHIOIRCIY-WDEREUQCSA-N 1 0 201.354 2.371 20 70 BEIDRO CC[C@]1(C)C[C@@H]1C(=O)NCC1([NH3+])CCCCC1 ZINC000159590330 397948323 /nfs/dbraw/zinc/94/83/23/397948323.db2.gz ZRLKOKKTBVVSRS-DGCLKSJQSA-N 1 0 238.375 2.200 20 70 BEIDRO C(=C\c1ccccc1)\CN1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000217599929 411454681 /nfs/dbraw/zinc/45/46/81/411454681.db2.gz JIMPYGJQOHUFNY-UILWWFOHSA-N 1 0 228.339 2.136 20 70 BEIDRO CC[N@@H+]1CC[C@H](NCc2ccc(C)nc2)[C@H](C)C1 ZINC000161278653 170021699 /nfs/dbraw/zinc/02/16/99/170021699.db2.gz JEIPPBRCHRQRJN-DOMZBBRYSA-N 1 0 247.386 2.210 20 70 BEIDRO CC[NH2+]CC1CCN(C(=O)C2(C)CCC2)CC1 ZINC000161074291 170111066 /nfs/dbraw/zinc/11/10/66/170111066.db2.gz ADSFVFJVNTZFPP-UHFFFAOYSA-N 1 0 238.375 2.025 20 70 BEIDRO CCc1ccc(C[NH2+][C@H]2CCC[C@@H]2O)s1 ZINC000217823504 411553197 /nfs/dbraw/zinc/55/31/97/411553197.db2.gz IIFASPMNIJOFLD-RYUDHWBXSA-N 1 0 225.357 2.314 20 70 BEIDRO CO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000217967948 411594692 /nfs/dbraw/zinc/59/46/92/411594692.db2.gz JSIHGAWPPBUQRZ-QNWHQSFQSA-N 1 0 227.348 2.101 20 70 BEIDRO C[C@@H](O)C[N@H+](C)[C@@H](C)c1cc(F)ccc1F ZINC000159505634 176013587 /nfs/dbraw/zinc/01/35/87/176013587.db2.gz GAGGATKOUBUHCV-BDAKNGLRSA-N 1 0 229.270 2.338 20 70 BEIDRO C[C@@H]1C[C@@H]1C[NH2+]Cc1cc(O)cc(F)c1 ZINC000159614602 176396746 /nfs/dbraw/zinc/39/67/46/176396746.db2.gz LITRFSQJZWOCAO-PSASIEDQSA-N 1 0 209.264 2.277 20 70 BEIDRO C[C@H](c1ccco1)[N@H+](C)CCn1ccnc1 ZINC000161500324 177047868 /nfs/dbraw/zinc/04/78/68/177047868.db2.gz WNUYPMSACGBIKE-LLVKDONJSA-N 1 0 219.288 2.169 20 70 BEIDRO C[C@@H]1C[C@H](C)C[N@H+]1Cc1cccc(N)c1 ZINC000160518138 177319000 /nfs/dbraw/zinc/31/90/00/177319000.db2.gz FGHFUURMSVFHRF-WDEREUQCSA-N 1 0 204.317 2.499 20 70 BEIDRO C[C@H]1[NH2+]CCC[C@@H]1Nc1ccc(Cl)cn1 ZINC000160544233 177394953 /nfs/dbraw/zinc/39/49/53/177394953.db2.gz MCHQXMKKLMBYDB-SCZZXKLOSA-N 1 0 225.723 2.287 20 70 BEIDRO CC(C)CC(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000160606851 323073691 /nfs/dbraw/zinc/07/36/91/323073691.db2.gz IOFIBEYCLNVHJA-CYBMUJFWSA-N 1 0 240.391 2.269 20 70 BEIDRO CC[C@H]([NH3+])C(=O)NCC1(CC(C)C)CCC1 ZINC000160677354 323102665 /nfs/dbraw/zinc/10/26/65/323102665.db2.gz XNZXRVBOSHXZHU-NSHDSACASA-N 1 0 226.364 2.056 20 70 BEIDRO Cn1cnnc1C[N@@H+]1CCC[C@H]1C1CCCCC1 ZINC000160813396 323136249 /nfs/dbraw/zinc/13/62/49/323136249.db2.gz CLJGOGUJSKTCQT-ZDUSSCGKSA-N 1 0 248.374 2.360 20 70 BEIDRO Cc1ccc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)s1 ZINC000161419593 487494360 /nfs/dbraw/zinc/49/43/60/487494360.db2.gz BRKJBLPAFQKTBV-VHSXEESVSA-N 1 0 238.356 2.056 20 70 BEIDRO Cc1ccsc1C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000160965155 488183061 /nfs/dbraw/zinc/18/30/61/488183061.db2.gz UHEYAGJJMAWSBZ-ZJUUUORDSA-N 1 0 238.356 2.056 20 70 BEIDRO COc1ccc(OCC[N@H+]2CC=CCC2)cc1 ZINC000216819666 490411512 /nfs/dbraw/zinc/41/15/12/490411512.db2.gz VJDLVYQZTTXOSQ-UHFFFAOYSA-N 1 0 233.311 2.336 20 70 BEIDRO CC(C)([NH3+])CNC(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000159945597 535206698 /nfs/dbraw/zinc/20/66/98/535206698.db2.gz XNGVITZDUFYWJC-NEPJUHHUSA-N 1 0 238.375 2.056 20 70 BEIDRO CC[C@H](C)[C@@H]([NH3+])C(=O)NCc1ccc(C)cc1C ZINC000216638739 535848619 /nfs/dbraw/zinc/84/86/19/535848619.db2.gz SSWLPGXGVLWYOS-SMDDNHRTSA-N 1 0 248.370 2.293 20 70 BEIDRO C[NH+](C)C[C@H]1CCN(C(=O)CCC(C)(C)C)C1 ZINC000160275563 535961152 /nfs/dbraw/zinc/96/11/52/535961152.db2.gz HWCYSUCWSCXNBW-GFCCVEGCSA-N 1 0 240.391 2.223 20 70 BEIDRO CCC(CC)(CO)C[NH2+]Cc1cncs1 ZINC000159657121 168328815 /nfs/dbraw/zinc/32/88/15/168328815.db2.gz ZFLCDAMNLAEVEC-UHFFFAOYSA-N 1 0 228.361 2.031 20 70 BEIDRO COC[C@H]([NH2+]C[C@](C)(O)CCC(C)C)C(C)C ZINC000159410996 136214225 /nfs/dbraw/zinc/21/42/25/136214225.db2.gz MXLUVMQSGBDBOX-UONOGXRCSA-N 1 0 245.407 2.434 20 70 BEIDRO CSC[C@H](CCO)[NH2+][C@H](C)C1CCCC1 ZINC000160380126 201712084 /nfs/dbraw/zinc/71/20/84/201712084.db2.gz BAUFFKRCFNWUDY-PWSUYJOCSA-N 1 0 231.405 2.269 20 70 BEIDRO C1CCC([NH2+][C@@H]2CCN3CCCC[C@@H]23)C1 ZINC000217647392 136278024 /nfs/dbraw/zinc/27/80/24/136278024.db2.gz UUCHMYHNJBPUCU-OLZOCXBDSA-N 1 0 208.349 2.145 20 70 BEIDRO CC(C)[N@H+](Cc1cnnn1C)C1CCCCC1 ZINC000159767528 323047535 /nfs/dbraw/zinc/04/75/35/323047535.db2.gz VDVOMWRUUBGLAN-UHFFFAOYSA-N 1 0 236.363 2.358 20 70 BEIDRO Cc1ccc(C[NH2+]C(C)(C)[C@@H](C)O)s1 ZINC000160608527 178600391 /nfs/dbraw/zinc/60/03/91/178600391.db2.gz AEJJSWFQFDZQOR-SECBINFHSA-N 1 0 213.346 2.306 20 70 BEIDRO COC[C@H]([NH2+]C[C@@](C)(O)CCC(C)C)C1CC1 ZINC000159445101 345434554 /nfs/dbraw/zinc/43/45/54/345434554.db2.gz KONXEGFIHJMPNH-KBPBESRZSA-N 1 0 243.391 2.188 20 70 BEIDRO CC(C)(C)CCCNC(=O)C[C@H]1CCC[NH2+]1 ZINC000160539857 345504203 /nfs/dbraw/zinc/50/42/03/345504203.db2.gz IHPSMOJAFWYRQW-LLVKDONJSA-N 1 0 226.364 2.071 20 70 BEIDRO CC[C@H](C)N(C)CC[NH2+][C@@H](C)C1CCOCC1 ZINC000160150850 345805419 /nfs/dbraw/zinc/80/54/19/345805419.db2.gz DSUAJKPDKDQHQN-STQMWFEESA-N 1 0 242.407 2.121 20 70 BEIDRO CCCC[NH+](CCCC)C[C@@H]1COCCO1 ZINC000217510496 345933007 /nfs/dbraw/zinc/93/30/07/345933007.db2.gz FWSHQDVTBXZMLE-CYBMUJFWSA-N 1 0 229.364 2.304 20 70 BEIDRO OC1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1C=CCCC1 ZINC000161164940 346031785 /nfs/dbraw/zinc/03/17/85/346031785.db2.gz CQQCWEMEPYGNNX-FKJOKYEKSA-N 1 0 207.317 2.083 20 70 BEIDRO CC1(C)C[N@H+](Cc2cnc(N)s2)CCS1 ZINC000161287499 346168112 /nfs/dbraw/zinc/16/81/12/346168112.db2.gz DKWPMHJSUNKZBB-UHFFFAOYSA-N 1 0 243.401 2.053 20 70 BEIDRO COC(C[N@H+]1CC=C(c2ccccc2)CC1)OC ZINC000160521207 349064388 /nfs/dbraw/zinc/06/43/88/349064388.db2.gz KLLDZHNTYSIEKL-UHFFFAOYSA-N 1 0 247.338 2.395 20 70 BEIDRO COC[C@@H]([NH2+][C@H](CCO)c1ccccc1)C1CC1 ZINC000161107342 349375209 /nfs/dbraw/zinc/37/52/09/349375209.db2.gz KGNOUSHUCSQJIG-HUUCEWRRSA-N 1 0 249.354 2.125 20 70 BEIDRO CC[N@@H+]1CCCC[C@H]1CN[C@@H](C)c1cnccn1 ZINC000161179681 349385191 /nfs/dbraw/zinc/38/51/91/349385191.db2.gz YKHNEDCWEBYWAH-STQMWFEESA-N 1 0 248.374 2.002 20 70 BEIDRO CCOCCN(C)Cc1nc2ccccc2[nH]1 ZINC000161251496 349415802 /nfs/dbraw/zinc/41/58/02/349415802.db2.gz DKNFHQWGGPIRDN-UHFFFAOYSA-N 1 0 233.315 2.031 20 70 BEIDRO Cc1ncc(C[N@H+](C)CCOCC2CC2)s1 ZINC000159370670 180137441 /nfs/dbraw/zinc/13/74/41/180137441.db2.gz PVTQXDCRXMJVMB-UHFFFAOYSA-N 1 0 240.372 2.310 20 70 BEIDRO Cc1ccc(C[C@@H]([NH2+]CCN)C(C)C)cc1 ZINC000218278298 363129845 /nfs/dbraw/zinc/12/98/45/363129845.db2.gz NPQOWTVRAUZBBW-CQSZACIVSA-N 1 0 220.360 2.110 20 70 BEIDRO CCCc1ccc(C(=O)N2CC[C@@H]([NH2+]C)C2)cc1 ZINC000160736531 188159870 /nfs/dbraw/zinc/15/98/70/188159870.db2.gz LHFZVIUMJDJURV-CQSZACIVSA-N 1 0 246.354 2.073 20 70 BEIDRO CC(C)C[C@@H](CO)[NH2+][C@H](C)c1cscn1 ZINC000161163924 188177879 /nfs/dbraw/zinc/17/78/79/188177879.db2.gz ACYHWHWHTWHNBD-ZJUUUORDSA-N 1 0 228.361 2.201 20 70 BEIDRO CO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1cscn1 ZINC000218237184 357921758 /nfs/dbraw/zinc/92/17/58/357921758.db2.gz LTZGBLJPKMEQJC-IQJOONFLSA-N 1 0 226.345 2.361 20 70 BEIDRO C[C@@H]1CC[N@H+](CC2(O)CCCC2)C[C@@H]1C ZINC000160979448 361335506 /nfs/dbraw/zinc/33/55/06/361335506.db2.gz QCLJQZGHBHOKSH-NEPJUHHUSA-N 1 0 211.349 2.269 20 70 BEIDRO c1cc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)ccn1 ZINC000159622092 183354069 /nfs/dbraw/zinc/35/40/69/183354069.db2.gz LWKSHOHKIAFUOL-MJBXVCDLSA-N 1 0 244.338 2.129 20 70 BEIDRO CCC[NH2+]CCNCc1ccc(Cl)cc1 ZINC000161332634 169259183 /nfs/dbraw/zinc/25/91/83/169259183.db2.gz MPZVJDOGNICWDL-UHFFFAOYSA-N 1 0 226.751 2.429 20 70 BEIDRO CCC[C@@H]1CCCN(C(=O)[C@H]2CC[C@H]([NH3+])C2)C1 ZINC000161444563 169416522 /nfs/dbraw/zinc/41/65/22/169416522.db2.gz MOPZSRLYHAQJKL-AGIUHOORSA-N 1 0 238.375 2.153 20 70 BEIDRO CC[C@@H](C(=O)NCC1(CC)CCCC1)[NH+](C)C ZINC000159406283 384066239 /nfs/dbraw/zinc/06/62/39/384066239.db2.gz KSVRAYQCXNSPDI-LBPRGKRZSA-N 1 0 240.391 2.413 20 70 BEIDRO c1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)nc1 ZINC000159621305 384345138 /nfs/dbraw/zinc/34/51/38/384345138.db2.gz HCQALCFCCICVSB-MCIONIFRSA-N 1 0 244.338 2.129 20 70 BEIDRO c1cncc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1 ZINC000159661022 384348892 /nfs/dbraw/zinc/34/88/92/384348892.db2.gz FUKRSAMWHQDBHZ-MJBXVCDLSA-N 1 0 244.338 2.129 20 70 BEIDRO CC(C)[C@@H](c1ccccc1)N(C)C(=O)[C@H](C)[NH3+] ZINC000159755607 384353614 /nfs/dbraw/zinc/35/36/14/384353614.db2.gz ODZSFYKHIRUEKN-AAEUAGOBSA-N 1 0 234.343 2.189 20 70 BEIDRO C[C@H](O)C[N@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC000159365483 384325635 /nfs/dbraw/zinc/32/56/35/384325635.db2.gz JOCOCKDZRYQLJY-UWVGGRQHSA-N 1 0 211.280 2.199 20 70 BEIDRO C[NH2+][C@H]1CCN(C(=O)C[C@H](C)c2ccccc2)C1 ZINC000160597304 384423431 /nfs/dbraw/zinc/42/34/31/384423431.db2.gz XAOFZDRFZDZWCP-JSGCOSHPSA-N 1 0 246.354 2.001 20 70 BEIDRO CC[C@@H](CC(=O)NCCC[NH3+])c1ccccc1 ZINC000160149246 384388434 /nfs/dbraw/zinc/38/84/34/384388434.db2.gz LXWVRNWYGAFUSV-LBPRGKRZSA-N 1 0 234.343 2.035 20 70 BEIDRO CC(C)C[N@H+](Cc1nccn1C)C1CC1 ZINC000160759354 384433405 /nfs/dbraw/zinc/43/34/05/384433405.db2.gz NAWKLGSEHYNEID-UHFFFAOYSA-N 1 0 207.321 2.041 20 70 BEIDRO CCc1cc(=O)[nH]c(C[N@H+](CC(C)C)C2CC2)n1 ZINC000160755896 384435007 /nfs/dbraw/zinc/43/50/07/384435007.db2.gz NWTZSLWTHQOMJW-UHFFFAOYSA-N 1 0 249.358 2.365 20 70 BEIDRO CCCC[N@H+](CC)Cc1nc(CC)cc(=O)[nH]1 ZINC000160765456 384435112 /nfs/dbraw/zinc/43/51/12/384435112.db2.gz NHZPWONSEYJPDP-UHFFFAOYSA-N 1 0 237.347 2.367 20 70 BEIDRO Cc1ccc(C[N@@H+](C)CC2=CCCOC2)o1 ZINC000160870290 384443895 /nfs/dbraw/zinc/44/38/95/384443895.db2.gz YXXUADSPXTWDGN-UHFFFAOYSA-N 1 0 221.300 2.367 20 70 BEIDRO C[C@@H](N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1cnccn1 ZINC000161063520 384460319 /nfs/dbraw/zinc/46/03/19/384460319.db2.gz QQDSBLFLJQPERH-UPJWGTAASA-N 1 0 248.374 2.000 20 70 BEIDRO Cc1ccnc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000161183059 384473386 /nfs/dbraw/zinc/47/33/86/384473386.db2.gz VYTDINQWXPKYPK-QWHCGFSZSA-N 1 0 231.343 2.429 20 70 BEIDRO COC(C[N@@H+]1CC[C@@H](c2ccccc2)[C@H]1C)OC ZINC000161486548 384495857 /nfs/dbraw/zinc/49/58/57/384495857.db2.gz VJWSJLKWJLBTEK-TZMCWYRMSA-N 1 0 249.354 2.483 20 70 BEIDRO C[C@@H]([NH2+]CCc1nccs1)c1cscn1 ZINC000161180355 384882028 /nfs/dbraw/zinc/88/20/28/384882028.db2.gz BCRFZZCHVRJERP-MRVPVSSYSA-N 1 0 239.369 2.493 20 70 BEIDRO COCC[C@H](C)[NH2+][C@@H](C)c1cscn1 ZINC000161181201 384884861 /nfs/dbraw/zinc/88/48/61/384884861.db2.gz BBQLAXCODXENAE-IUCAKERBSA-N 1 0 214.334 2.219 20 70 BEIDRO CC[C@H](CCO)C[NH2+][C@@H](C)c1cscn1 ZINC000161221316 384926459 /nfs/dbraw/zinc/92/64/59/384926459.db2.gz YEMOIERIDUNENU-VHSXEESVSA-N 1 0 228.361 2.202 20 70 BEIDRO CC[C@@H](CCO)C[NH2+][C@@H](C)c1cscn1 ZINC000161221200 384927358 /nfs/dbraw/zinc/92/73/58/384927358.db2.gz YEMOIERIDUNENU-UWVGGRQHSA-N 1 0 228.361 2.202 20 70 BEIDRO CCC[C@@H]1CCCN(C(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000161448470 386050778 /nfs/dbraw/zinc/05/07/78/386050778.db2.gz VMJUVFKUDRQMDC-CHWSQXEVSA-N 1 0 238.375 2.167 20 70 BEIDRO CCCC[NH2+]CC(CC)(CC)C(=O)OC ZINC000159681388 388027243 /nfs/dbraw/zinc/02/72/43/388027243.db2.gz WKCGEFDBRYOFOQ-UHFFFAOYSA-N 1 0 215.337 2.356 20 70 BEIDRO CC(C)[C@H]1CCCCN1C(=O)[C@H]1CCC[NH2+]C1 ZINC000160426774 388065550 /nfs/dbraw/zinc/06/55/50/388065550.db2.gz IGGRLCHMJQAFCD-QWHCGFSZSA-N 1 0 238.375 2.023 20 70 BEIDRO CCc1cc(=O)[nH]c(C[NH+]2CCCCCC2)n1 ZINC000160460961 388066438 /nfs/dbraw/zinc/06/64/38/388066438.db2.gz CESPSMLDZVMDRR-UHFFFAOYSA-N 1 0 235.331 2.121 20 70 BEIDRO CCCC[C@H](C(=O)OC)[N@H+](C)CCCC ZINC000160796736 388091500 /nfs/dbraw/zinc/09/15/00/388091500.db2.gz GGPLKGGSPSWMSW-LLVKDONJSA-N 1 0 215.337 2.450 20 70 BEIDRO CCC[C@H]([NH3+])C(=O)N[C@@H](C)CCC(C)(C)C ZINC000161230773 388415107 /nfs/dbraw/zinc/41/51/07/388415107.db2.gz QHHNRYFLDKSPPM-QWRGUYRKSA-N 1 0 228.380 2.445 20 70 BEIDRO CO[C@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)c1ccccc1 ZINC000218011340 388575414 /nfs/dbraw/zinc/57/54/14/388575414.db2.gz RZRZBYPIWJSVLN-ZNMIVQPWSA-N 1 0 249.354 2.267 20 70 BEIDRO CO[C@H]1CCCC[C@H]1[NH2+]C[C@@H](O)c1ccccc1 ZINC000218011512 388575457 /nfs/dbraw/zinc/57/54/57/388575457.db2.gz RZRZBYPIWJSVLN-KFWWJZLASA-N 1 0 249.354 2.267 20 70 BEIDRO CC(C)C1CCC(NC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000159386764 134773480 /nfs/dbraw/zinc/77/34/80/134773480.db2.gz XZHAPQGPRQEIHU-WXRRBKDZSA-N 1 0 238.375 2.069 20 70 BEIDRO CC[NH2+]Cc1cnc(C(F)(F)F)s1 ZINC000159600213 134782406 /nfs/dbraw/zinc/78/24/06/134782406.db2.gz GXJPNZBWWNBJNV-UHFFFAOYSA-N 1 0 210.224 2.271 20 70 BEIDRO CCC[C@H]([NH3+])C(=O)N1CC[C@H](CC(C)C)C1 ZINC000159611710 397948370 /nfs/dbraw/zinc/94/83/70/397948370.db2.gz CQLICJFRIVETHI-NEPJUHHUSA-N 1 0 226.364 2.008 20 70 BEIDRO C[N@H+](CCC1CCCC1)[C@@H]1CCCCNC1=O ZINC000160297393 487614497 /nfs/dbraw/zinc/61/44/97/487614497.db2.gz RIGJMMMMJZUFFS-CYBMUJFWSA-N 1 0 238.375 2.167 20 70 BEIDRO CC[NH2+]CCNCc1ccc(F)c(Cl)c1 ZINC000161311302 170115876 /nfs/dbraw/zinc/11/58/76/170115876.db2.gz OJZISNUMCZNQRK-UHFFFAOYSA-N 1 0 230.714 2.178 20 70 BEIDRO CC[C@@H]1C[N@H+](Cc2cnc(N)s2)CCS1 ZINC000161287222 171091233 /nfs/dbraw/zinc/09/12/33/171091233.db2.gz NDRNUFMTRZLWMY-MRVPVSSYSA-N 1 0 243.401 2.053 20 70 BEIDRO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccnn1CC ZINC000160131628 171365410 /nfs/dbraw/zinc/36/54/10/171365410.db2.gz YZWQBVASDLGLJK-WDEREUQCSA-N 1 0 209.337 2.427 20 70 BEIDRO CCc1ccc([C@@H](C)[NH2+]CC(C)(C)O)o1 ZINC000160659834 171830213 /nfs/dbraw/zinc/83/02/13/171830213.db2.gz GHLMGAAMQZISMJ-SECBINFHSA-N 1 0 211.305 2.264 20 70 BEIDRO C[NH2+]CCNCc1cc(Cl)ccc1Cl ZINC000161262128 173355580 /nfs/dbraw/zinc/35/55/80/173355580.db2.gz UENHDUAIFWUBNU-UHFFFAOYSA-N 1 0 233.142 2.302 20 70 BEIDRO C[C@@H]1CCC[C@H](C)N(C(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000160935915 177113944 /nfs/dbraw/zinc/11/39/44/177113944.db2.gz FVGBALZWDWSBJH-FRRDWIJNSA-N 1 0 238.375 2.023 20 70 BEIDRO C[C@H]1C[C@H](C)[N@H+](Cc2cccc(N)c2)C1 ZINC000160517873 177359299 /nfs/dbraw/zinc/35/92/99/177359299.db2.gz FGHFUURMSVFHRF-QWRGUYRKSA-N 1 0 204.317 2.499 20 70 BEIDRO CC(C)[C@@H]([NH2+]CCCN1CCCC1=O)C1CC1 ZINC000159574056 323038319 /nfs/dbraw/zinc/03/83/19/323038319.db2.gz SGELYNLBKUXSPA-CQSZACIVSA-N 1 0 238.375 2.023 20 70 BEIDRO C[C@@H]1C[N@H+](Cc2cnc3ccccn23)CCS1 ZINC000159795747 323048114 /nfs/dbraw/zinc/04/81/14/323048114.db2.gz ZVVNXPMWNODKDI-LLVKDONJSA-N 1 0 247.367 2.272 20 70 BEIDRO CC[C@H]([NH3+])C(=O)NC1(c2ccccc2)CCCC1 ZINC000160049329 323058734 /nfs/dbraw/zinc/05/87/34/323058734.db2.gz XHOQHYOTNBWIAD-ZDUSSCGKSA-N 1 0 246.354 2.309 20 70 BEIDRO C/C(=C/c1ccccc1)C[N@@H+]1CCC[C@@H]1C(N)=O ZINC000160342407 323064981 /nfs/dbraw/zinc/06/49/81/323064981.db2.gz BMCWZDGDNXPLMY-GAJOTYCWSA-N 1 0 244.338 2.040 20 70 BEIDRO CC(C)[NH2+]CCC(=O)N1CCCC[C@H]1C(C)C ZINC000160424225 323066328 /nfs/dbraw/zinc/06/63/28/323066328.db2.gz FPNFSZMEQCGHMI-ZDUSSCGKSA-N 1 0 240.391 2.412 20 70 BEIDRO CCCn1c(C)nnc1C[N@@H+]1CC[C@@H](C)[C@@H]1C ZINC000160605634 323073582 /nfs/dbraw/zinc/07/35/82/323073582.db2.gz ARGPDIJNTXYZQJ-MNOVXSKESA-N 1 0 236.363 2.227 20 70 BEIDRO Cn1cnnc1C[N@@H+]1CCC[C@@H]1C1CCCCC1 ZINC000160813248 323136270 /nfs/dbraw/zinc/13/62/70/323136270.db2.gz CLJGOGUJSKTCQT-CYBMUJFWSA-N 1 0 248.374 2.360 20 70 BEIDRO Cn1ccnc1C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000160875013 323137829 /nfs/dbraw/zinc/13/78/29/323137829.db2.gz IASQIBHUDRRASL-CQSZACIVSA-N 1 0 241.338 2.410 20 70 BEIDRO C[C@H]1CCC[N@@H+]1Cc1cnc2ccccn12 ZINC000160891950 323137851 /nfs/dbraw/zinc/13/78/51/323137851.db2.gz GIJZDODSLPCNJY-NSHDSACASA-N 1 0 215.300 2.319 20 70 BEIDRO CC(C)[NH2+]CCC(=O)N1C[C@H](C)CCC[C@H]1C ZINC000160935423 323139514 /nfs/dbraw/zinc/13/95/14/323139514.db2.gz DJYYUVFOMLTIOJ-CHWSQXEVSA-N 1 0 240.391 2.412 20 70 BEIDRO COc1cccc(C[NH2+]CC2CC2)c1F ZINC000160459583 488134835 /nfs/dbraw/zinc/13/48/35/488134835.db2.gz UXTIGUWATOOSKI-UHFFFAOYSA-N 1 0 209.264 2.334 20 70 BEIDRO CCC[N@H+](Cc1ccc(CO)o1)C(C)C ZINC000161320904 487491265 /nfs/dbraw/zinc/49/12/65/487491265.db2.gz SMUAFGAHMNOMAO-UHFFFAOYSA-N 1 0 211.305 2.392 20 70 BEIDRO CC(C)(C)CCC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000161454957 487496523 /nfs/dbraw/zinc/49/65/23/487496523.db2.gz KVSILEKEQCTIHE-GHMZBOCLSA-N 1 0 226.364 2.199 20 70 BEIDRO C[NH2+]CCCOc1cccc(Cl)c1F ZINC000159761318 487521704 /nfs/dbraw/zinc/52/17/04/487521704.db2.gz PNGWTSXZRLSKFC-UHFFFAOYSA-N 1 0 217.671 2.467 20 70 BEIDRO C[C@@H]([NH2+]CC1(O)CCCC1)c1cscn1 ZINC000161196246 538914801 /nfs/dbraw/zinc/91/48/01/538914801.db2.gz CJJSJKFCGRQYDD-SECBINFHSA-N 1 0 226.345 2.099 20 70 BEIDRO C[C@H](CO)C[NH+]1CCC(C(C)(C)C)CC1 ZINC000160952024 538913420 /nfs/dbraw/zinc/91/34/20/538913420.db2.gz SNSRJAKCNIZUDW-NSHDSACASA-N 1 0 213.365 2.373 20 70 BEIDRO C[C@H]([NH2+]CCCN1CCCC1=O)C1CCCC1 ZINC000159568953 323037381 /nfs/dbraw/zinc/03/73/81/323037381.db2.gz BGZLMYWLIZESCW-LBPRGKRZSA-N 1 0 238.375 2.167 20 70 BEIDRO CC(C)(C)NC(=O)C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000159654723 345457937 /nfs/dbraw/zinc/45/79/37/345457937.db2.gz DYDUQJNPIKIVSJ-RYUDHWBXSA-N 1 0 238.375 2.166 20 70 BEIDRO CC(C)NC(=O)CC[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000159694007 345470082 /nfs/dbraw/zinc/47/00/82/345470082.db2.gz BUMVBTRZWJLXGN-STQMWFEESA-N 1 0 238.375 2.166 20 70 BEIDRO CCCCNC(=O)C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000159655028 345471514 /nfs/dbraw/zinc/47/15/14/345471514.db2.gz KEARYIPJLNMBPK-STQMWFEESA-N 1 0 238.375 2.167 20 70 BEIDRO C[C@H]([NH2+]C1CCC(O)CC1)c1cscn1 ZINC000161130822 323148671 /nfs/dbraw/zinc/14/86/71/323148671.db2.gz FZJQJIFPNXGLQO-IDKOKCKLSA-N 1 0 226.345 2.097 20 70 BEIDRO CCCC1(CNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC000160570776 349232110 /nfs/dbraw/zinc/23/21/10/349232110.db2.gz UUVFZNAOTSQBKT-LBPRGKRZSA-N 1 0 240.391 2.269 20 70 BEIDRO CCCCCCC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160730163 349314855 /nfs/dbraw/zinc/31/48/55/349314855.db2.gz QNDZZMNYWDJUSH-BETUJISGSA-N 1 0 238.375 2.310 20 70 BEIDRO COC[C@@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)C(C)C ZINC000161105449 349374979 /nfs/dbraw/zinc/37/49/79/349374979.db2.gz GAFVXZXCPXCIJJ-MELADBBJSA-N 1 0 242.407 2.120 20 70 BEIDRO COC[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)C(C)C ZINC000161105571 349375060 /nfs/dbraw/zinc/37/50/60/349375060.db2.gz GAFVXZXCPXCIJJ-IHRRRGAJSA-N 1 0 242.407 2.120 20 70 BEIDRO CC(C)([NH3+])C(=O)N[C@H]1CCC[C@H]1c1ccccc1 ZINC000159714203 191117549 /nfs/dbraw/zinc/11/75/49/191117549.db2.gz ZFGDNDLAJQBGGF-STQMWFEESA-N 1 0 246.354 2.176 20 70 BEIDRO C[NH+](C)C1CCN(C(=O)CCC(C)(C)C)CC1 ZINC000159535846 350880574 /nfs/dbraw/zinc/88/05/74/350880574.db2.gz IABDPLUFNTUMTG-UHFFFAOYSA-N 1 0 240.391 2.365 20 70 BEIDRO Cn1ccc(C[NH2+]CC2CCSCC2)c1 ZINC000160684379 180699247 /nfs/dbraw/zinc/69/92/47/180699247.db2.gz VAKOOWHHTBXDJD-UHFFFAOYSA-N 1 0 224.373 2.258 20 70 BEIDRO CC(C)(O)C[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000160591849 188159448 /nfs/dbraw/zinc/15/94/48/188159448.db2.gz XRHYVNUVMODRKY-CQSZACIVSA-N 1 0 233.355 2.368 20 70 BEIDRO CC(C)C[C@H]1CCCCCN1C(=O)CC[NH3+] ZINC000161297493 188580475 /nfs/dbraw/zinc/58/04/75/188580475.db2.gz MIDCLLZSURRSKV-GFCCVEGCSA-N 1 0 226.364 2.153 20 70 BEIDRO CCn1ccnc1C[NH+]1CCC(C)CC1 ZINC000160679601 357168711 /nfs/dbraw/zinc/16/87/11/357168711.db2.gz QYJNPJFOXNRYOO-UHFFFAOYSA-N 1 0 207.321 2.135 20 70 BEIDRO CCn1ccnc1C[NH2+][C@@H](C)C1CCC1 ZINC000160175868 538883281 /nfs/dbraw/zinc/88/32/81/538883281.db2.gz CVPNYKYBXKOPIE-JTQLQIEISA-N 1 0 207.321 2.181 20 70 BEIDRO C[C@@H](CCC(C)(C)C)NC(=O)[C@@H]1CCCC[NH2+]1 ZINC000159770727 361288673 /nfs/dbraw/zinc/28/86/73/361288673.db2.gz FTMRKTMBMLTEND-RYUDHWBXSA-N 1 0 240.391 2.460 20 70 BEIDRO C[C@@H](CCC(C)(C)C)NC(=O)C[C@H]1CCC[NH2+]1 ZINC000159773980 361289733 /nfs/dbraw/zinc/28/97/33/361289733.db2.gz RYUOCXPXTWVVEW-NWDGAFQWSA-N 1 0 240.391 2.460 20 70 BEIDRO CCCC[C@H](C(=O)OC)[N@H+](C)CC(C)C ZINC000160798641 361328076 /nfs/dbraw/zinc/32/80/76/361328076.db2.gz IOIASFWPFBKLKY-LLVKDONJSA-N 1 0 215.337 2.306 20 70 BEIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)C2CCCCCC2)C1 ZINC000161312723 364475486 /nfs/dbraw/zinc/47/54/86/364475486.db2.gz SCPCYBWKRQCNKO-CHWSQXEVSA-N 1 0 238.375 2.343 20 70 BEIDRO CCC[NH2+]CCNCc1cccc(C)c1 ZINC000161363933 169258989 /nfs/dbraw/zinc/25/89/89/169258989.db2.gz RUUSDXIAJTVLCX-UHFFFAOYSA-N 1 0 206.333 2.084 20 70 BEIDRO COC[C@H]([NH2+]CCC(C)(C)O)c1ccc(C)o1 ZINC000159672657 384348719 /nfs/dbraw/zinc/34/87/19/384348719.db2.gz UADVKDHUPXEYSH-NSHDSACASA-N 1 0 241.331 2.026 20 70 BEIDRO CC(C)(C)CCC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159674147 384349421 /nfs/dbraw/zinc/34/94/21/384349421.db2.gz CYEWFLBXLLWRIQ-TXEJJXNPSA-N 1 0 238.375 2.166 20 70 BEIDRO CCC(CC)C[N@@H+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000159686363 384349576 /nfs/dbraw/zinc/34/95/76/384349576.db2.gz CUAKHORMXRFZFK-JQWIXIFHSA-N 1 0 226.364 2.008 20 70 BEIDRO COC(C[N@@H+]1CCc2ccccc2[C@H]1C)OC ZINC000160999670 384456309 /nfs/dbraw/zinc/45/63/09/384456309.db2.gz MZUQXKASGSQAJR-LLVKDONJSA-N 1 0 235.327 2.225 20 70 BEIDRO C[C@@H](N[C@H]1CCC[C@H]([NH+](C)C)C1)c1cnccn1 ZINC000161063759 384461809 /nfs/dbraw/zinc/46/18/09/384461809.db2.gz QQDSBLFLJQPERH-AGIUHOORSA-N 1 0 248.374 2.000 20 70 BEIDRO COC(C[N@H+](C)Cc1cc2ccccc2o1)OC ZINC000161369896 384482993 /nfs/dbraw/zinc/48/29/93/384482993.db2.gz MBRUTGWELXAKET-UHFFFAOYSA-N 1 0 249.310 2.484 20 70 BEIDRO CCN1CCCC[C@H]1C[NH2+][C@@H](C)C(C)C ZINC000161170856 384865672 /nfs/dbraw/zinc/86/56/72/384865672.db2.gz NGSGKWJZYLBGOK-STQMWFEESA-N 1 0 212.381 2.495 20 70 BEIDRO C[C@@H]1CCC[C@H](C[NH2+]C2(CO)CCC2)C1 ZINC000161250340 384950529 /nfs/dbraw/zinc/95/05/29/384950529.db2.gz PTEXGYCDUADCRI-NEPJUHHUSA-N 1 0 211.349 2.317 20 70 BEIDRO CCCC(C)(C)[NH2+]Cc1cn(C)nc1C ZINC000160145153 385957620 /nfs/dbraw/zinc/95/76/20/385957620.db2.gz KHCGKAYVJPOCSP-UHFFFAOYSA-N 1 0 209.337 2.397 20 70 BEIDRO C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)CCC[NH3+] ZINC000160907842 386539736 /nfs/dbraw/zinc/53/97/36/386539736.db2.gz WJDKTSQJFJUBQJ-TZMCWYRMSA-N 1 0 246.354 2.130 20 70 BEIDRO CC[C@H]1CC[N@H+](Cc2ccc(C(=O)OC)cn2)C1 ZINC000160603871 387110476 /nfs/dbraw/zinc/11/04/76/387110476.db2.gz LHOXSKQCVYLWGH-NSHDSACASA-N 1 0 248.326 2.100 20 70 BEIDRO CC(C)[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000161226603 387155611 /nfs/dbraw/zinc/15/56/11/387155611.db2.gz XBKJDLSDTUUHPJ-VIFPVBQESA-N 1 0 225.254 2.030 20 70 BEIDRO CCCn1c(C)nnc1C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000161224215 387155864 /nfs/dbraw/zinc/15/58/64/387155864.db2.gz CSYXIUTWZVPJTA-PHIMTYICSA-N 1 0 236.363 2.369 20 70 BEIDRO COC(C)(C)C[NH2+][C@H](C)c1cscn1 ZINC000161226565 387156286 /nfs/dbraw/zinc/15/62/86/387156286.db2.gz AXFFOUHWDSWLCG-MRVPVSSYSA-N 1 0 214.334 2.219 20 70 BEIDRO CC[C@H]1CCCC[C@H]1[NH2+]Cc1nnnn1C1CC1 ZINC000161430158 387210051 /nfs/dbraw/zinc/21/00/51/387210051.db2.gz AFPBHBSQWAHLCQ-CMPLNLGQSA-N 1 0 249.362 2.066 20 70 BEIDRO CC(C)[N@H+](CCCCO)CCc1nccs1 ZINC000159908084 388037653 /nfs/dbraw/zinc/03/76/53/388037653.db2.gz QZTKOGRPFWGZQT-UHFFFAOYSA-N 1 0 242.388 2.169 20 70 BEIDRO C[C@](O)(C[NH2+][C@@H]1CCSC1)c1ccsc1 ZINC000159893893 388037936 /nfs/dbraw/zinc/03/79/36/388037936.db2.gz ACDSZGAIAKKONP-MNOVXSKESA-N 1 0 243.397 2.051 20 70 BEIDRO C[C@H]([NH2+]CCC(C)(C)O)[C@H]1COc2ccccc21 ZINC000160154921 134800321 /nfs/dbraw/zinc/80/03/21/134800321.db2.gz QETSCAFKHHMBQT-WCQYABFASA-N 1 0 249.354 2.302 20 70 BEIDRO CCCC[NH2+][C@@](C)(CO)c1ccccc1 ZINC000161158012 398107418 /nfs/dbraw/zinc/10/74/18/398107418.db2.gz PFHVEWSQMSZQFQ-ZDUSSCGKSA-N 1 0 207.317 2.284 20 70 BEIDRO CC1CC([NH2+]Cc2cc(O)cc(F)c2)C1 ZINC000159616502 168146423 /nfs/dbraw/zinc/14/64/23/168146423.db2.gz KGXRQFNWPCXUGC-UHFFFAOYSA-N 1 0 209.264 2.419 20 70 BEIDRO CCNC(=O)c1cccc(C[NH2+][C@@H](C)CC)c1 ZINC000160188571 170103868 /nfs/dbraw/zinc/10/38/68/170103868.db2.gz ZLLWESUFZQURSP-NSHDSACASA-N 1 0 234.343 2.324 20 70 BEIDRO CC[NH2+]CCNCc1ccc(Cl)c(C)c1 ZINC000161292511 170115776 /nfs/dbraw/zinc/11/57/76/170115776.db2.gz FELJJHRUQIJJBB-UHFFFAOYSA-N 1 0 226.751 2.348 20 70 BEIDRO COc1cc(NC2CC[NH+](C)CC2)ccc1F ZINC000159938150 175001871 /nfs/dbraw/zinc/00/18/71/175001871.db2.gz RXGHCMFNDKFUSL-UHFFFAOYSA-N 1 0 238.306 2.340 20 70 BEIDRO C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)CCC[NH3+] ZINC000160907977 177338327 /nfs/dbraw/zinc/33/83/27/177338327.db2.gz WJDKTSQJFJUBQJ-GXTWGEPZSA-N 1 0 246.354 2.130 20 70 BEIDRO CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)C1CC1 ZINC000159574543 323038389 /nfs/dbraw/zinc/03/83/89/323038389.db2.gz KTIJFCSGRVPNCP-UHFFFAOYSA-N 1 0 246.354 2.373 20 70 BEIDRO CC(C)[NH+](CCNC(=O)C1(C)CC1)C(C)C ZINC000159627421 323040824 /nfs/dbraw/zinc/04/08/24/323040824.db2.gz VIAFXUCBCQKRIV-UHFFFAOYSA-N 1 0 226.364 2.022 20 70 BEIDRO COC[C@@H](C)[NH2+]C[C@H](C1CCCCC1)N(C)C ZINC000160421033 323066272 /nfs/dbraw/zinc/06/62/72/323066272.db2.gz XGGYMGGOFZDACE-TZMCWYRMSA-N 1 0 242.407 2.121 20 70 BEIDRO CCCC1(C[NH2+][C@H](C(N)=O)c2ccccc2)CC1 ZINC000160774249 323134791 /nfs/dbraw/zinc/13/47/91/323134791.db2.gz CMKMYERFHVEDOT-ZDUSSCGKSA-N 1 0 246.354 2.383 20 70 BEIDRO C[N@H+](Cc1cnc2ccccn12)C1CCC1 ZINC000160800188 323135885 /nfs/dbraw/zinc/13/58/85/323135885.db2.gz CHRAFJAAHNUZIT-UHFFFAOYSA-N 1 0 215.300 2.319 20 70 BEIDRO CC(C)[NH2+]CCC(=O)N1C[C@H](C)CCC[C@@H]1C ZINC000160935166 323139440 /nfs/dbraw/zinc/13/94/40/323139440.db2.gz DJYYUVFOMLTIOJ-OLZOCXBDSA-N 1 0 240.391 2.412 20 70 BEIDRO CCC[C@]1(C)CCCN(C(=O)[C@@H]([NH3+])CC)C1 ZINC000160934378 323139508 /nfs/dbraw/zinc/13/95/08/323139508.db2.gz SCKJRQVYFIWNJW-WCQYABFASA-N 1 0 226.364 2.153 20 70 BEIDRO Cc1n[nH]cc1CN(C)Cc1ccc(F)cc1 ZINC000161152287 323149330 /nfs/dbraw/zinc/14/93/30/323149330.db2.gz LCPGUSRVZNMRAO-UHFFFAOYSA-N 1 0 233.290 2.489 20 70 BEIDRO CC[C@H]([NH3+])C(=O)N1CCc2ccccc2[C@@H]1CC ZINC000160133917 488108824 /nfs/dbraw/zinc/10/88/24/488108824.db2.gz QJQDUNZRYBLJHO-KBPBESRZSA-N 1 0 246.354 2.260 20 70 BEIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)CCc2ccccc2)C1 ZINC000161198106 487484014 /nfs/dbraw/zinc/48/40/14/487484014.db2.gz BGJAMGDICSASRC-UONOGXRCSA-N 1 0 246.354 2.005 20 70 BEIDRO CCC[C@H]1CCCN(C(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000161448612 398282285 /nfs/dbraw/zinc/28/22/85/398282285.db2.gz VMJUVFKUDRQMDC-QWHCGFSZSA-N 1 0 238.375 2.167 20 70 BEIDRO CCC[C@H](C)[NH2+][C@@H]1CCN2CCCC[C@@H]12 ZINC000217670629 136277851 /nfs/dbraw/zinc/27/78/51/136277851.db2.gz XCYGECZFOVREQK-XQQFMLRXSA-N 1 0 210.365 2.391 20 70 BEIDRO C1CCC([NH2+][C@H]2CCN3CCCC[C@@H]23)C1 ZINC000217647464 136278080 /nfs/dbraw/zinc/27/80/80/136278080.db2.gz UUCHMYHNJBPUCU-STQMWFEESA-N 1 0 208.349 2.145 20 70 BEIDRO CCCC[C@H](C(=O)OC)[N@H+](CC)CCC ZINC000161012779 344459188 /nfs/dbraw/zinc/45/91/88/344459188.db2.gz SCCRTAHUBOORCF-LLVKDONJSA-N 1 0 215.337 2.450 20 70 BEIDRO CCCC[C@H](CC)CC(=O)N1CC[NH2+]CC1 ZINC000159379109 345429423 /nfs/dbraw/zinc/42/94/23/345429423.db2.gz QYFHPSYUULJEDZ-LBPRGKRZSA-N 1 0 226.364 2.025 20 70 BEIDRO CCc1nnc(C[N@@H+]2CC[C@H](C)C[C@H](C)C2)[nH]1 ZINC000159472379 345436586 /nfs/dbraw/zinc/43/65/86/345436586.db2.gz VOFCUFXRBUUVOB-QWRGUYRKSA-N 1 0 236.363 2.235 20 70 BEIDRO CC[C@@H](O)C[N@@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000159703932 345494598 /nfs/dbraw/zinc/49/45/98/345494598.db2.gz HMDFLBMVRGBPQU-OCCSQVGLSA-N 1 0 234.343 2.298 20 70 BEIDRO c1cnn(CC[N@@H+]2CC[C@@H]3CCCC[C@@H]32)c1 ZINC000159703115 345494625 /nfs/dbraw/zinc/49/46/25/345494625.db2.gz ICVFXYLNVKHTTE-STQMWFEESA-N 1 0 219.332 2.148 20 70 BEIDRO CC[C@@H](c1ccccc1)[N@H+](C)C[C@@H](C)O ZINC000159366873 346419392 /nfs/dbraw/zinc/41/93/92/346419392.db2.gz RRHSSXHJWHVFQX-YPMHNXCESA-N 1 0 207.317 2.450 20 70 BEIDRO CC[N@H+](Cc1ccccc1)CC1(O)CCOCC1 ZINC000159454264 346421173 /nfs/dbraw/zinc/42/11/73/346421173.db2.gz AHLYBGOTVOBVII-UHFFFAOYSA-N 1 0 249.354 2.050 20 70 BEIDRO Cc1ccccc1[C@@H](C)[N@@H+](C)C[C@@H](C)O ZINC000159376066 179318830 /nfs/dbraw/zinc/31/88/30/179318830.db2.gz YPBXWKCPFXEZMY-VXGBXAGGSA-N 1 0 207.317 2.369 20 70 BEIDRO CC(C)[C@H]1C(=O)NCC[N@H+]1CCC1CCCC1 ZINC000160451206 348300519 /nfs/dbraw/zinc/30/05/19/348300519.db2.gz HEKZFCJOQSACHN-ZDUSSCGKSA-N 1 0 238.375 2.023 20 70 BEIDRO Cc1cnccc1C[NH2+]Cc1ccco1 ZINC000160598736 179703031 /nfs/dbraw/zinc/70/30/31/179703031.db2.gz SCBLDEHKHVAHIJ-UHFFFAOYSA-N 1 0 202.257 2.273 20 70 BEIDRO CCC(CC)[NH2+][C@H]1CCN2CCCC[C@@H]12 ZINC000217680343 535082920 /nfs/dbraw/zinc/08/29/20/535082920.db2.gz CHGDKWVCPMPNOV-STQMWFEESA-N 1 0 210.365 2.391 20 70 BEIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)C1CCCC1)CC2 ZINC000160535981 349113962 /nfs/dbraw/zinc/11/39/62/349113962.db2.gz QWJNMKXZFDEWMH-ZWNOBZJWSA-N 1 0 248.374 2.070 20 70 BEIDRO C[C@@H](CCC(C)(C)C)NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000159773717 350365076 /nfs/dbraw/zinc/36/50/76/350365076.db2.gz RYUOCXPXTWVVEW-RYUDHWBXSA-N 1 0 240.391 2.460 20 70 BEIDRO CC[C@H](CSC)[NH2+]CC1(O)CCCC1 ZINC000217329804 357845929 /nfs/dbraw/zinc/84/59/29/357845929.db2.gz OJMWJPNYPNNKIX-SNVBAGLBSA-N 1 0 217.378 2.023 20 70 BEIDRO COc1ccc(N[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cn1 ZINC000217903985 134251237 /nfs/dbraw/zinc/25/12/37/134251237.db2.gz KYXPJSARERREHK-GMXVVIOVSA-N 1 0 249.358 2.231 20 70 BEIDRO C[C@@H](CCO)C[NH2+]C/C=C\c1ccccc1 ZINC000218033241 134251020 /nfs/dbraw/zinc/25/10/20/134251020.db2.gz YYRLVSBLRXHPSE-UJZCVKTISA-N 1 0 219.328 2.308 20 70 BEIDRO CCn1ccnc1C[N@H+](C)[C@H](C)C1CC1 ZINC000160854404 358969309 /nfs/dbraw/zinc/96/93/09/358969309.db2.gz CVVLKOMFDHNEPM-SNVBAGLBSA-N 1 0 207.321 2.133 20 70 BEIDRO [NH3+]CCCC(=O)N[C@H]1CCC[C@H]1c1ccccc1 ZINC000159724637 181372537 /nfs/dbraw/zinc/37/25/37/181372537.db2.gz DCAGXLBTOCKCAA-KBPBESRZSA-N 1 0 246.354 2.178 20 70 BEIDRO CCc1cc(=O)[nH]c(C[NH+]2C[C@@H](C)C[C@H](C)C2)n1 ZINC000160478233 384004745 /nfs/dbraw/zinc/00/47/45/384004745.db2.gz FOYYILZLOSPVDQ-QWRGUYRKSA-N 1 0 249.358 2.223 20 70 BEIDRO Cn1cccc1C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000159641487 384346222 /nfs/dbraw/zinc/34/62/22/384346222.db2.gz HSKFYXDNTJFDAP-MCIONIFRSA-N 1 0 246.354 2.072 20 70 BEIDRO CN(Cc1ccnn1C)Cc1cccc(F)c1 ZINC000160466872 384413671 /nfs/dbraw/zinc/41/36/71/384413671.db2.gz JAQNIXYELQHXIN-UHFFFAOYSA-N 1 0 233.290 2.191 20 70 BEIDRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)[C@H](C)c1ccccc1 ZINC000160894035 384444961 /nfs/dbraw/zinc/44/49/61/384444961.db2.gz KYDXVOMPPKTLMN-OBJOEFQTSA-N 1 0 248.370 2.278 20 70 BEIDRO C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)C(C)(C)[NH3+] ZINC000160903032 384445904 /nfs/dbraw/zinc/44/59/04/384445904.db2.gz DKFMDNXGWFYDQV-DGCLKSJQSA-N 1 0 246.354 2.128 20 70 BEIDRO c1nc2c(n1Cc1noc(C3CC3)n1)CCCC2 ZINC000160720144 384430636 /nfs/dbraw/zinc/43/06/36/384430636.db2.gz XODRYABCCVMXRW-UHFFFAOYSA-N 1 0 244.298 2.071 20 70 BEIDRO CC[C@H]([NH3+])C(=O)N[C@@H](C)c1cccc(C)c1C ZINC000160834905 384440973 /nfs/dbraw/zinc/44/09/73/384440973.db2.gz MFPHHCGMEVFVPJ-AAEUAGOBSA-N 1 0 234.343 2.218 20 70 BEIDRO CN(CCC[NH+]1CCCC1)Cc1cscn1 ZINC000161459723 384489972 /nfs/dbraw/zinc/48/99/72/384489972.db2.gz GOJHXTRUAULCPE-UHFFFAOYSA-N 1 0 239.388 2.061 20 70 BEIDRO CN(CC[C@H]1CCC[N@@H+]1C)Cc1cscn1 ZINC000161458467 384490461 /nfs/dbraw/zinc/49/04/61/384490461.db2.gz FFVWAKWGBSKQRB-GFCCVEGCSA-N 1 0 239.388 2.059 20 70 BEIDRO Cc1nccn1CCCC[N@@H+](C)C1CC1 ZINC000161470485 384492547 /nfs/dbraw/zinc/49/25/47/384492547.db2.gz AXHSCHOMGZKSED-UHFFFAOYSA-N 1 0 207.321 2.066 20 70 BEIDRO CC[C@@H](C)N(C)CC[NH2+][C@@H](C)C1CCOCC1 ZINC000160150717 384640807 /nfs/dbraw/zinc/64/08/07/384640807.db2.gz DSUAJKPDKDQHQN-OLZOCXBDSA-N 1 0 242.407 2.121 20 70 BEIDRO COC(=O)[C@@H](C)[N@H+](C)CCC1CCCCC1 ZINC000160193461 384657775 /nfs/dbraw/zinc/65/77/75/384657775.db2.gz AMDDEHKCITZJDZ-LLVKDONJSA-N 1 0 227.348 2.450 20 70 BEIDRO COC[C@H](C)C[NH2+][C@H](C)c1cscn1 ZINC000161168772 384864958 /nfs/dbraw/zinc/86/49/58/384864958.db2.gz VHCTWBWKFQKPOG-RKDXNWHRSA-N 1 0 214.334 2.076 20 70 BEIDRO C[C@H]1CCC[C@H](C[NH2+]C2(CO)CCC2)C1 ZINC000161250467 384951485 /nfs/dbraw/zinc/95/14/85/384951485.db2.gz PTEXGYCDUADCRI-RYUDHWBXSA-N 1 0 211.349 2.317 20 70 BEIDRO Cc1c(C[NH2+][C@@H](C)C2(C)CC2)cnn1C ZINC000161232835 384945086 /nfs/dbraw/zinc/94/50/86/384945086.db2.gz CCGIZEDNHSOJCL-JTQLQIEISA-N 1 0 207.321 2.007 20 70 BEIDRO CC[C@@H]1CCCC[C@@H]1[NH2+]CCCNC(C)=O ZINC000161409602 385016961 /nfs/dbraw/zinc/01/69/61/385016961.db2.gz FQEMLBQJJYINHU-OLZOCXBDSA-N 1 0 226.364 2.071 20 70 BEIDRO C[C@@H]1SCC[N@H+](Cc2cnc(N)s2)[C@H]1C ZINC000161286827 385656244 /nfs/dbraw/zinc/65/62/44/385656244.db2.gz WNMWYWUSLQKLDE-YUMQZZPRSA-N 1 0 243.401 2.051 20 70 BEIDRO CC[C@H]1C[N@H+](Cc2cnc(N)s2)CCS1 ZINC000161287347 385662426 /nfs/dbraw/zinc/66/24/26/385662426.db2.gz NDRNUFMTRZLWMY-QMMMGPOBSA-N 1 0 243.401 2.053 20 70 BEIDRO Cc1cnccc1C[NH2+]C1CCSCC1 ZINC000160594684 385673333 /nfs/dbraw/zinc/67/33/33/385673333.db2.gz CGPKDLONCWQCJO-UHFFFAOYSA-N 1 0 222.357 2.375 20 70 BEIDRO CCc1ccc(C[NH2+]C(C)(C)[C@H](C)O)o1 ZINC000160603262 385679163 /nfs/dbraw/zinc/67/91/63/385679163.db2.gz FGUJBXIBJLNDFK-VIFPVBQESA-N 1 0 211.305 2.091 20 70 BEIDRO CC[C@]1(C)CCCN(C(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000160777661 386028709 /nfs/dbraw/zinc/02/87/09/386028709.db2.gz QIBKSHTZDOFFON-GXTWGEPZSA-N 1 0 238.375 2.025 20 70 BEIDRO C[C@@H](CCC(C)(C)C)NC(=O)[C@H]1CCC[NH2+]C1 ZINC000161231464 386730939 /nfs/dbraw/zinc/73/09/39/386730939.db2.gz MNFQUWHMFZXMGW-RYUDHWBXSA-N 1 0 240.391 2.317 20 70 BEIDRO CC(C)[C@@H]1CCCCN1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000160426389 386925217 /nfs/dbraw/zinc/92/52/17/386925217.db2.gz IGGRLCHMJQAFCD-OLZOCXBDSA-N 1 0 238.375 2.023 20 70 BEIDRO C[C@H](CC(=O)NCC(C)(C)[NH3+])C1CCCCC1 ZINC000160093586 387040807 /nfs/dbraw/zinc/04/08/07/387040807.db2.gz MAQLWNWVWOSRTE-LLVKDONJSA-N 1 0 240.391 2.446 20 70 BEIDRO CC[C@H](COC)[NH2+][C@@H](C)c1cscn1 ZINC000161206603 387149369 /nfs/dbraw/zinc/14/93/69/387149369.db2.gz GBOSCALCVYZZHM-DTWKUNHWSA-N 1 0 214.334 2.219 20 70 BEIDRO C[C@@H]([NH2+]C[C@@]1(C)CCCO1)c1cscn1 ZINC000161222027 387161127 /nfs/dbraw/zinc/16/11/27/387161127.db2.gz NWNOOQGDQISKKF-MWLCHTKSSA-N 1 0 226.345 2.363 20 70 BEIDRO CC[C@]1(C)CCCN(C(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000160777405 387578184 /nfs/dbraw/zinc/57/81/84/387578184.db2.gz QIBKSHTZDOFFON-TZMCWYRMSA-N 1 0 238.375 2.025 20 70 BEIDRO CCOCC[NH2+][C@@H](C)c1ncc(C)s1 ZINC000159770530 388029899 /nfs/dbraw/zinc/02/98/99/388029899.db2.gz JMZMACADAPCARP-VIFPVBQESA-N 1 0 214.334 2.139 20 70 BEIDRO Cc1ccc(C[NH2+]C(C)(C)[C@@H](C)O)cc1 ZINC000160605048 388078026 /nfs/dbraw/zinc/07/80/26/388078026.db2.gz NFEJQIWHFLMOFY-LLVKDONJSA-N 1 0 207.317 2.244 20 70 BEIDRO CCCC[C@@H](C(=O)OC)[N@H+](C)CCC ZINC000160798790 388091729 /nfs/dbraw/zinc/09/17/29/388091729.db2.gz QXIHLTNPYZBOGL-JTQLQIEISA-N 1 0 201.310 2.060 20 70 BEIDRO Clc1ccc(CC[NH2+]Cc2ncc[nH]2)s1 ZINC000218241741 388578936 /nfs/dbraw/zinc/57/89/36/388578936.db2.gz SLLCNSBVTJBYRZ-UHFFFAOYSA-N 1 0 241.747 2.457 20 70 BEIDRO C[C@@]1(C(=O)Nc2ccsc2)CCCC[NH2+]1 ZINC000159582050 397948398 /nfs/dbraw/zinc/94/83/98/397948398.db2.gz NFZXZRAFUFJNNQ-NSHDSACASA-N 1 0 224.329 2.219 20 70 BEIDRO CC[C@H](O)C[N@@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000159780213 410466379 /nfs/dbraw/zinc/46/63/79/410466379.db2.gz HMDFLBMVRGBPQU-GXTWGEPZSA-N 1 0 234.343 2.298 20 70 BEIDRO CC[NH2+]CCNCc1ccc(C)cc1C ZINC000161313167 170115567 /nfs/dbraw/zinc/11/55/67/170115567.db2.gz IJOMXTSUKOVBKG-UHFFFAOYSA-N 1 0 206.333 2.003 20 70 BEIDRO CCOCC[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000159825721 170389429 /nfs/dbraw/zinc/38/94/29/170389429.db2.gz ZVMWKWKRDQTNRT-UHFFFAOYSA-N 1 0 236.359 2.221 20 70 BEIDRO CC[C@@](C)(O)C[N@H+](C)Cc1ccc(Cl)nc1 ZINC000161417038 171178223 /nfs/dbraw/zinc/17/82/23/171178223.db2.gz HHESSUMFCYDCRN-GFCCVEGCSA-N 1 0 242.750 2.328 20 70 BEIDRO C[C@H]1[NH2+]CCC[C@@H]1Nc1ccncc1Cl ZINC000160559219 177394907 /nfs/dbraw/zinc/39/49/07/177394907.db2.gz NZDXKPBVQXQUJY-SCZZXKLOSA-N 1 0 225.723 2.287 20 70 BEIDRO C[C@H]1C[N@@H+](CN2CC(C)(C)OC2=O)CC[C@@H]1C ZINC000159920594 323053988 /nfs/dbraw/zinc/05/39/88/323053988.db2.gz MPRGXZNCOPYKDU-QWRGUYRKSA-N 1 0 240.347 2.153 20 70 BEIDRO CCCNC(=O)[C@H](C)[N@H+](CC)C[C@@H](C)CC ZINC000160522606 323069966 /nfs/dbraw/zinc/06/99/66/323069966.db2.gz GASZUZHTCHFXIF-RYUDHWBXSA-N 1 0 228.380 2.269 20 70 BEIDRO CC(C)[C@@H]([NH3+])C(=O)NCCCCC1CCCC1 ZINC000160901074 323075735 /nfs/dbraw/zinc/07/57/35/323075735.db2.gz JKUXOZZPUGSLCU-CYBMUJFWSA-N 1 0 240.391 2.446 20 70 BEIDRO C[C@@H]1CCC[N@@H+]1Cc1cnc2ccccn12 ZINC000160891815 323137937 /nfs/dbraw/zinc/13/79/37/323137937.db2.gz GIJZDODSLPCNJY-LLVKDONJSA-N 1 0 215.300 2.319 20 70 BEIDRO CC[N@H+](CC=C(C)C)Cc1cnn(C)c1 ZINC000161100308 323146357 /nfs/dbraw/zinc/14/63/57/323146357.db2.gz XVIPYHJQUROMFD-UHFFFAOYSA-N 1 0 207.321 2.208 20 70 BEIDRO C([C@@H]1CCCO1)[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000159585400 488068038 /nfs/dbraw/zinc/06/80/38/488068038.db2.gz HBCUDYWYNPXAMH-AVGNSLFASA-N 1 0 209.333 2.430 20 70 BEIDRO CCc1noc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)n1 ZINC000159697760 488075212 /nfs/dbraw/zinc/07/52/12/488075212.db2.gz IQUUJBZUKPNHPY-QWRGUYRKSA-N 1 0 235.331 2.397 20 70 BEIDRO Cc1cscc1C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000161269915 487487187 /nfs/dbraw/zinc/48/71/87/487487187.db2.gz RUWFHRLLLLQRQQ-UWVGGRQHSA-N 1 0 238.356 2.056 20 70 BEIDRO CCC[C@H]1CCCN(C(=O)[C@H]([NH3+])CC(C)C)C1 ZINC000161443151 487497226 /nfs/dbraw/zinc/49/72/26/487497226.db2.gz YBFUMRXUHNHRIJ-QWHCGFSZSA-N 1 0 240.391 2.399 20 70 BEIDRO CC(C)(C)CCC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000161454692 487497312 /nfs/dbraw/zinc/49/73/12/487497312.db2.gz KVSILEKEQCTIHE-WDEREUQCSA-N 1 0 226.364 2.199 20 70 BEIDRO CC(C)N(C(=O)CC1([NH3+])CCC1)C1CCC1 ZINC000160562241 488143907 /nfs/dbraw/zinc/14/39/07/488143907.db2.gz NLWDQBSHVJUPPV-UHFFFAOYSA-N 1 0 224.348 2.047 20 70 BEIDRO Cc1ccsc1C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000160964886 488182487 /nfs/dbraw/zinc/18/24/87/488182487.db2.gz UHEYAGJJMAWSBZ-VHSXEESVSA-N 1 0 238.356 2.056 20 70 BEIDRO CCCC[C@@H](CC)CC(=O)N1CC[C@H]([NH2+]C)C1 ZINC000160589112 491078810 /nfs/dbraw/zinc/07/88/10/491078810.db2.gz OQLAAWSEBMRILD-OLZOCXBDSA-N 1 0 240.391 2.413 20 70 BEIDRO CC(C)([NH3+])CNC(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000159945696 535206623 /nfs/dbraw/zinc/20/66/23/535206623.db2.gz XNGVITZDUFYWJC-NWDGAFQWSA-N 1 0 238.375 2.056 20 70 BEIDRO CC[N@@H+](Cc1cccs1)C[C@H](C)CO ZINC000160907602 538913220 /nfs/dbraw/zinc/91/32/20/538913220.db2.gz NHSRLAAEQYTKCM-JTQLQIEISA-N 1 0 213.346 2.198 20 70 BEIDRO C[C@@H](CO)C[N@@H+]1CCc2sccc2[C@H]1C ZINC000160910047 538913447 /nfs/dbraw/zinc/91/34/47/538913447.db2.gz CVGSBIXHWPUVDK-NXEZZACHSA-N 1 0 225.357 2.296 20 70 BEIDRO C[C@@H]([NH2+]CC[C@@H]1CCCO1)c1cscn1 ZINC000161152770 538914336 /nfs/dbraw/zinc/91/43/36/538914336.db2.gz SOQYGRULYKBEHS-ZJUUUORDSA-N 1 0 226.345 2.363 20 70 BEIDRO CCSCc1cccc(NC(=O)[C@H](C)[NH3+])c1 ZINC000161479961 349456285 /nfs/dbraw/zinc/45/62/85/349456285.db2.gz VAQKPDJTHUTYDE-VIFPVBQESA-N 1 0 238.356 2.225 20 70 BEIDRO COC[C@@H]([NH2+]C[C@](C)(O)CCC(C)C)C(C)C ZINC000159411267 136214288 /nfs/dbraw/zinc/21/42/88/136214288.db2.gz MXLUVMQSGBDBOX-ZIAGYGMSSA-N 1 0 245.407 2.434 20 70 BEIDRO CCC(CC)CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000161044688 345214250 /nfs/dbraw/zinc/21/42/50/345214250.db2.gz LJXSGYFZESWWSN-CYBMUJFWSA-N 1 0 210.365 2.203 20 70 BEIDRO C[C@@H](Cn1cccn1)[NH2+]CCc1ccc(F)cc1 ZINC000159550251 345442214 /nfs/dbraw/zinc/44/22/14/345442214.db2.gz OAGHGEIZKJWUAN-LBPRGKRZSA-N 1 0 247.317 2.243 20 70 BEIDRO CC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000159703792 345494664 /nfs/dbraw/zinc/49/46/64/345494664.db2.gz HMDFLBMVRGBPQU-TZMCWYRMSA-N 1 0 234.343 2.298 20 70 BEIDRO CCCC[NH+](CCCC)C[C@H]1COCCO1 ZINC000217510594 345933564 /nfs/dbraw/zinc/93/35/64/345933564.db2.gz FWSHQDVTBXZMLE-ZDUSSCGKSA-N 1 0 229.364 2.304 20 70 BEIDRO CC(C)NC(=O)C[NH2+][C@H]1c2ccccc2C[C@H]1C ZINC000160937485 349340419 /nfs/dbraw/zinc/34/04/19/349340419.db2.gz JILVBKKDPVNSRR-IAQYHMDHSA-N 1 0 246.354 2.034 20 70 BEIDRO COC(=O)C[N@H+](CC(C)C)C1CCCCC1 ZINC000159647740 350960595 /nfs/dbraw/zinc/96/05/95/350960595.db2.gz VPNQSHKSKCIMCO-UHFFFAOYSA-N 1 0 227.348 2.450 20 70 BEIDRO CC(C)C[C@H](CO)[NH2+][C@@H](C)c1cscn1 ZINC000161163792 188178261 /nfs/dbraw/zinc/17/82/61/188178261.db2.gz ACYHWHWHTWHNBD-VHSXEESVSA-N 1 0 228.361 2.201 20 70 BEIDRO c1coc(C[NH2+][C@H]2[C@H]3CCO[C@@H]3C23CCC3)c1 ZINC000159522195 188517494 /nfs/dbraw/zinc/51/74/94/188517494.db2.gz SVNSCYHANHXNSE-AGIUHOORSA-N 1 0 233.311 2.327 20 70 BEIDRO CC1(C)C[C@H]([NH2+][C@@H]2CCCSC2)CCO1 ZINC000159991039 535368203 /nfs/dbraw/zinc/36/82/03/535368203.db2.gz YGNGQIMTZSDKKQ-GHMZBOCLSA-N 1 0 229.389 2.429 20 70 BEIDRO CC1(C)C[C@@H]([NH2+][C@H]2CCCSC2)CCO1 ZINC000159991404 361297735 /nfs/dbraw/zinc/29/77/35/361297735.db2.gz YGNGQIMTZSDKKQ-QWRGUYRKSA-N 1 0 229.389 2.429 20 70 BEIDRO CCC[C@@H]([NH3+])C(=O)N1CC[C@H](CC(C)C)C1 ZINC000159611852 361258761 /nfs/dbraw/zinc/25/87/61/361258761.db2.gz CQLICJFRIVETHI-VXGBXAGGSA-N 1 0 226.364 2.008 20 70 BEIDRO CCC[C@@H](C)CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160245172 169354872 /nfs/dbraw/zinc/35/48/72/169354872.db2.gz FPZAIJWAXPBKOI-UPJWGTAASA-N 1 0 238.375 2.166 20 70 BEIDRO CCC[C@@H](CCc1ccccc1)NC(=O)C[NH2+]C ZINC000160937346 169382591 /nfs/dbraw/zinc/38/25/91/169382591.db2.gz UFVVWVVDCIASKL-AWEZNQCLSA-N 1 0 248.370 2.124 20 70 BEIDRO CCC[C@@H]([NH3+])C(=O)N[C@@H](C)[C@@H](C)c1ccccc1 ZINC000160892849 169390949 /nfs/dbraw/zinc/39/09/49/169390949.db2.gz BFBPXSJJVGGNAM-MBNYWOFBSA-N 1 0 248.370 2.422 20 70 BEIDRO CCC[C@@H]([NH3+])C(=O)N[C@@H](C)CCC(C)(C)C ZINC000161230885 169391075 /nfs/dbraw/zinc/39/10/75/169391075.db2.gz QHHNRYFLDKSPPM-WDEREUQCSA-N 1 0 228.380 2.445 20 70 BEIDRO CC(C)S(=O)(=O)CCC[N@@H+]1CCCC[C@H]1C ZINC000160496920 384088235 /nfs/dbraw/zinc/08/82/35/384088235.db2.gz AANOHBVRWCPZOM-GFCCVEGCSA-N 1 0 247.404 2.074 20 70 BEIDRO c1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)nc1 ZINC000159621121 384345079 /nfs/dbraw/zinc/34/50/79/384345079.db2.gz HCQALCFCCICVSB-MJBXVCDLSA-N 1 0 244.338 2.129 20 70 BEIDRO CCc1ccc([C@H](C)[NH2+]CC(C)(C)O)o1 ZINC000160659963 384368240 /nfs/dbraw/zinc/36/82/40/384368240.db2.gz GHLMGAAMQZISMJ-VIFPVBQESA-N 1 0 211.305 2.264 20 70 BEIDRO Cc1ccc([C@H]2CCCCN2C(=O)[C@@H](C)[NH3+])cc1 ZINC000159912598 384370144 /nfs/dbraw/zinc/37/01/44/384370144.db2.gz OTBCGZLXTKVIKI-TZMCWYRMSA-N 1 0 246.354 2.396 20 70 BEIDRO C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)CCC[NH3+] ZINC000160907586 384444983 /nfs/dbraw/zinc/44/49/83/384444983.db2.gz WJDKTSQJFJUBQJ-OCCSQVGLSA-N 1 0 246.354 2.130 20 70 BEIDRO COC(C[N@@H+]1CCc2ccccc2[C@@H]1C)OC ZINC000160999784 384455514 /nfs/dbraw/zinc/45/55/14/384455514.db2.gz MZUQXKASGSQAJR-NSHDSACASA-N 1 0 235.327 2.225 20 70 BEIDRO CCCc1noc(Cn2cnc3c2CCCC3)n1 ZINC000160722693 384429405 /nfs/dbraw/zinc/42/94/05/384429405.db2.gz VILBLYMRVHOTMT-UHFFFAOYSA-N 1 0 246.314 2.146 20 70 BEIDRO CCc1ccccc1C(=O)NCC(C)(C)[NH+](C)C ZINC000160787264 384437262 /nfs/dbraw/zinc/43/72/62/384437262.db2.gz OBRABNKMIDWFQH-UHFFFAOYSA-N 1 0 248.370 2.319 20 70 BEIDRO COC(C[N@@H+]1CC[C@@H](Cc2ccccc2)C1)OC ZINC000161233143 384477391 /nfs/dbraw/zinc/47/73/91/384477391.db2.gz FSMXJDYYJDBBEQ-AWEZNQCLSA-N 1 0 249.354 2.170 20 70 BEIDRO CN(CC[C@@H]1CCC[N@@H+]1C)Cc1ccco1 ZINC000161292344 384478804 /nfs/dbraw/zinc/47/88/04/384478804.db2.gz YAVBXJOWCZIJRT-LBPRGKRZSA-N 1 0 222.332 2.196 20 70 BEIDRO C[C@@H]1C[C@H](C)C[N@H+]1Cc1ccc(CO)o1 ZINC000161296283 384480618 /nfs/dbraw/zinc/48/06/18/384480618.db2.gz DHHLIJIHLWKXAW-VHSXEESVSA-N 1 0 209.289 2.002 20 70 BEIDRO C[C@H]([NH3+])C(=O)Nc1ccc(CC(F)(F)F)cc1 ZINC000160298611 384676114 /nfs/dbraw/zinc/67/61/14/384676114.db2.gz NSJLZAUVBWZUQZ-ZETCQYMHSA-N 1 0 246.232 2.077 20 70 BEIDRO C[C@H]([NH2+]C[C@H]1CCCOC1)c1cscn1 ZINC000161160273 384856894 /nfs/dbraw/zinc/85/68/94/384856894.db2.gz SBMABHBEKLGUGY-VHSXEESVSA-N 1 0 226.345 2.220 20 70 BEIDRO C[C@H]([NH2+][C@@H](C)[C@@H]1CCOC1)c1cscn1 ZINC000161212240 384926420 /nfs/dbraw/zinc/92/64/20/384926420.db2.gz SUBGUORJTNCTKH-LPEHRKFASA-N 1 0 226.345 2.219 20 70 BEIDRO CC[C@H]1CCCC[C@H]1[NH2+]CCCNC(C)=O ZINC000161410012 385016785 /nfs/dbraw/zinc/01/67/85/385016785.db2.gz FQEMLBQJJYINHU-QWHCGFSZSA-N 1 0 226.364 2.071 20 70 BEIDRO C[C@@H]1[C@H](C)SCC[N@@H+]1Cc1cnc(N)s1 ZINC000161286704 385656598 /nfs/dbraw/zinc/65/65/98/385656598.db2.gz WNMWYWUSLQKLDE-SFYZADRCSA-N 1 0 243.401 2.051 20 70 BEIDRO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+][C@@H](C)COC ZINC000160120754 386036585 /nfs/dbraw/zinc/03/65/85/386036585.db2.gz SBYSBTCPBNZYGM-SDDRHHMPSA-N 1 0 229.364 2.205 20 70 BEIDRO COC[C@H]([NH2+][C@H](C)c1cscn1)C(C)C ZINC000161211575 387151737 /nfs/dbraw/zinc/15/17/37/387151737.db2.gz HXKMGMQGRVZSBW-ZJUUUORDSA-N 1 0 228.361 2.465 20 70 BEIDRO CC(C)S(=O)(=O)CCC[NH+]1CCCCCC1 ZINC000160460500 388067247 /nfs/dbraw/zinc/06/72/47/388067247.db2.gz TWEWQBCDZOTCTK-UHFFFAOYSA-N 1 0 247.404 2.076 20 70 BEIDRO CC[C@@H](C)N(C)CC[NH2+][C@@H](C)C1(C)CC1 ZINC000160136079 388046193 /nfs/dbraw/zinc/04/61/93/388046193.db2.gz PHXDHPWVIGYQRI-NEPJUHHUSA-N 1 0 212.381 2.495 20 70 BEIDRO [NH3+]C[C@H]1CCCCN1C(=O)/C=C\c1ccccc1 ZINC000217594463 256841604 /nfs/dbraw/zinc/84/16/04/256841604.db2.gz FUJWUMLXLMECTG-CFYYFVFUSA-N 1 0 244.338 2.040 20 70 BEIDRO CCCC[C@H](C(=O)OC)[N@@H+]1CCC[C@@H](C)C1 ZINC000218201327 256846312 /nfs/dbraw/zinc/84/63/12/256846312.db2.gz JNNSVYXHZSQXIO-VXGBXAGGSA-N 1 0 227.348 2.450 20 70 BEIDRO CCCn1ccc2ccc(NC(=O)[C@H](C)[NH3+])cc21 ZINC000161281128 388658221 /nfs/dbraw/zinc/65/82/21/388658221.db2.gz LWKURIDTLPLSMN-JTQLQIEISA-N 1 0 245.326 2.337 20 70 BEIDRO COC(C[N@H+](C)CCCc1ccccc1)OC ZINC000160561387 487597516 /nfs/dbraw/zinc/59/75/16/487597516.db2.gz LECDXISVMPAGRQ-UHFFFAOYSA-N 1 0 237.343 2.170 20 70 BEIDRO CC[NH2+]CCNCc1ccc(SC)cc1 ZINC000161289628 170115557 /nfs/dbraw/zinc/11/55/57/170115557.db2.gz ZRAHMSONTHYXAI-UHFFFAOYSA-N 1 0 224.373 2.108 20 70 BEIDRO CC[C@@]1(C)CCCN(C(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000160777543 171199486 /nfs/dbraw/zinc/19/94/86/171199486.db2.gz QIBKSHTZDOFFON-OCCSQVGLSA-N 1 0 238.375 2.025 20 70 BEIDRO CC[C@H](C(=O)Nc1cccc2[nH]ccc21)[NH+](C)C ZINC000160270181 171234946 /nfs/dbraw/zinc/23/49/46/171234946.db2.gz YROOMSFNQIVOJJ-CYBMUJFWSA-N 1 0 245.326 2.447 20 70 BEIDRO C[NH2+]CCNCc1csc2ccccc12 ZINC000161253777 173355993 /nfs/dbraw/zinc/35/59/93/173355993.db2.gz GRHNKSKPHLSGRG-UHFFFAOYSA-N 1 0 220.341 2.210 20 70 BEIDRO COC(C[N@@H+]1C[C@@H](c2ccccc2)C[C@H]1C)OC ZINC000161128797 173961144 /nfs/dbraw/zinc/96/11/44/173961144.db2.gz GIBINJGIGLOFIE-OCCSQVGLSA-N 1 0 249.354 2.483 20 70 BEIDRO C[C@@H]1C[C@@H](C)C[NH+](C[C@@H](O)C(C)(C)C)C1 ZINC000216870695 176361865 /nfs/dbraw/zinc/36/18/65/176361865.db2.gz PFLAESIFHOKWKB-IJLUTSLNSA-N 1 0 213.365 2.371 20 70 BEIDRO C[C@H]1C[C@H](c2ccccc2)CN1C(=O)CCC[NH3+] ZINC000160907712 177375626 /nfs/dbraw/zinc/37/56/26/177375626.db2.gz WJDKTSQJFJUBQJ-JSGCOSHPSA-N 1 0 246.354 2.130 20 70 BEIDRO CCc1nn(C)c(CC)c1C[NH2+][C@H](C)C1CC1 ZINC000159622529 323040700 /nfs/dbraw/zinc/04/07/00/323040700.db2.gz AJQVVYRCYWLOCB-SNVBAGLBSA-N 1 0 235.375 2.433 20 70 BEIDRO CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccccc2C)C1 ZINC000159814528 323049126 /nfs/dbraw/zinc/04/91/26/323049126.db2.gz YBRIYVHEYDHPHI-TZMCWYRMSA-N 1 0 246.354 2.266 20 70 BEIDRO CC[C@@H](C(=O)N1CCCC(C)(C)CC1)[NH+](C)C ZINC000160047278 323058655 /nfs/dbraw/zinc/05/86/55/323058655.db2.gz VTEJYYYLWVUBID-LBPRGKRZSA-N 1 0 240.391 2.365 20 70 BEIDRO CC(C)OC(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000160327458 323064772 /nfs/dbraw/zinc/06/47/72/323064772.db2.gz NPAHWUCBUSIULH-GFCCVEGCSA-N 1 0 242.363 2.386 20 70 BEIDRO CC(C)OC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000160557217 323071664 /nfs/dbraw/zinc/07/16/64/323071664.db2.gz XYVOCZCURZKBEH-LBPRGKRZSA-N 1 0 240.347 2.092 20 70 BEIDRO CC[C@H]([NH3+])C(=O)N(C)[C@H](C)Cc1ccc(C)cc1 ZINC000161156980 323149526 /nfs/dbraw/zinc/14/95/26/323149526.db2.gz JDAPHINFOUZABJ-OCCSQVGLSA-N 1 0 248.370 2.122 20 70 BEIDRO C[C@@H]([NH2+]C[C@]1(C)CCCO1)c1cscn1 ZINC000161221785 323471991 /nfs/dbraw/zinc/47/19/91/323471991.db2.gz NWNOOQGDQISKKF-KOLCDFICSA-N 1 0 226.345 2.363 20 70 BEIDRO [NH3+][C@H]1CCC[C@H](NC(=O)CCC2CCCC2)C1 ZINC000161198694 487484422 /nfs/dbraw/zinc/48/44/22/487484422.db2.gz FTOOYBCZMBNPCX-STQMWFEESA-N 1 0 238.375 2.343 20 70 BEIDRO Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)s1 ZINC000161419868 487494408 /nfs/dbraw/zinc/49/44/08/487494408.db2.gz BRKJBLPAFQKTBV-NXEZZACHSA-N 1 0 238.356 2.056 20 70 BEIDRO CC(C)(C)CCCNC(=O)CC1([NH3+])CCC1 ZINC000160540148 488142745 /nfs/dbraw/zinc/14/27/45/488142745.db2.gz WBROMTCCRRICOJ-UHFFFAOYSA-N 1 0 226.364 2.200 20 70 BEIDRO CC[C@@H](C)[N@H+](C)CCNc1nccs1 ZINC000217366122 592106379 /nfs/dbraw/zinc/10/63/79/592106379.db2.gz SVZJTPMURQQCFN-SECBINFHSA-N 1 0 213.350 2.285 20 70 BEIDRO C[C@@H]([NH2+]CC[C@H]1CCCO1)c1cscn1 ZINC000161153022 538914388 /nfs/dbraw/zinc/91/43/88/538914388.db2.gz SOQYGRULYKBEHS-NXEZZACHSA-N 1 0 226.345 2.363 20 70 BEIDRO CN(CCC[NH+]1CCCCC1)Cc1cccnc1 ZINC000161455379 349453146 /nfs/dbraw/zinc/45/31/46/349453146.db2.gz ZFIGIOQADWVVMQ-UHFFFAOYSA-N 1 0 247.386 2.389 20 70 BEIDRO Cc1n[nH]cc1CCCNc1cc[nH+]c(C)c1 ZINC000160916532 178159642 /nfs/dbraw/zinc/15/96/42/178159642.db2.gz XLRTUBSNTCSOLH-UHFFFAOYSA-N 1 0 230.315 2.466 20 70 BEIDRO CCC(CC)C[NH2+]Cc1cnn(C)c1C ZINC000160143795 168362052 /nfs/dbraw/zinc/36/20/52/168362052.db2.gz CRRNMBFLHVFTKX-UHFFFAOYSA-N 1 0 209.337 2.254 20 70 BEIDRO CC[C@H](C)C[NH2+][C@H]1CCN2CCCC[C@@H]12 ZINC000217634019 136277803 /nfs/dbraw/zinc/27/78/03/136277803.db2.gz KQQHOWAEAOROFD-AVGNSLFASA-N 1 0 210.365 2.249 20 70 BEIDRO CC(C)[C@H](C)[NH2+][C@H]1CCN2CCCC[C@@H]12 ZINC000217674711 534973207 /nfs/dbraw/zinc/97/32/07/534973207.db2.gz VVKIWVAPNZKHNN-AVGNSLFASA-N 1 0 210.365 2.247 20 70 BEIDRO CC(C)C1CCC(NC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000159386642 345429515 /nfs/dbraw/zinc/42/95/15/345429515.db2.gz XZHAPQGPRQEIHU-BPCQOVAHSA-N 1 0 238.375 2.069 20 70 BEIDRO CCCC[C@@H](CC)CC(=O)N1CC[NH2+]CC1 ZINC000159378968 345429815 /nfs/dbraw/zinc/42/98/15/345429815.db2.gz QYFHPSYUULJEDZ-GFCCVEGCSA-N 1 0 226.364 2.025 20 70 BEIDRO CCSCC[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000159429929 345433505 /nfs/dbraw/zinc/43/35/05/345433505.db2.gz NIXGRWSPQWDGAB-NSHDSACASA-N 1 0 239.388 2.342 20 70 BEIDRO COCC[N@@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000159729602 345508880 /nfs/dbraw/zinc/50/88/80/345508880.db2.gz UUJVCFPZWATFGD-ZDUSSCGKSA-N 1 0 220.316 2.173 20 70 BEIDRO CC[C@@H]([NH2+]CCC(C)(C)O)c1c(C)noc1C ZINC000159761322 345513668 /nfs/dbraw/zinc/51/36/68/345513668.db2.gz HEIAYYBRWSVFIC-LLVKDONJSA-N 1 0 240.347 2.493 20 70 BEIDRO CC(C)([NH3+])CNC(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000159945806 345705346 /nfs/dbraw/zinc/70/53/46/345705346.db2.gz XNGVITZDUFYWJC-RYUDHWBXSA-N 1 0 238.375 2.056 20 70 BEIDRO Cc1ccc(C[N@H+](C)C[C@@H]2CCCOC2)nc1 ZINC000160095318 345797515 /nfs/dbraw/zinc/79/75/15/345797515.db2.gz LWWXSVUHIPQVRA-ZDUSSCGKSA-N 1 0 234.343 2.248 20 70 BEIDRO CC(C)(C)C1CCC(C[NH2+]CCO)CC1 ZINC000161140384 346012564 /nfs/dbraw/zinc/01/25/64/346012564.db2.gz PXYXBHZLTOCZGO-UHFFFAOYSA-N 1 0 213.365 2.421 20 70 BEIDRO C[C@@H]1C[C@H](C)[N@H+](Cc2ccc(CO)o2)C1 ZINC000161295962 346167053 /nfs/dbraw/zinc/16/70/53/346167053.db2.gz DHHLIJIHLWKXAW-ZJUUUORDSA-N 1 0 209.289 2.002 20 70 BEIDRO C[C@H]1C[C@H](C)[N@H+](Cc2ccc(CO)o2)C1 ZINC000161296122 346167408 /nfs/dbraw/zinc/16/74/08/346167408.db2.gz DHHLIJIHLWKXAW-UWVGGRQHSA-N 1 0 209.289 2.002 20 70 BEIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)C1CCCC1)CC2 ZINC000160535716 349113484 /nfs/dbraw/zinc/11/34/84/349113484.db2.gz QWJNMKXZFDEWMH-GXFFZTMASA-N 1 0 248.374 2.070 20 70 BEIDRO CCCO[C@@H]1CCC[N@H+](C[C@](C)(O)CC)CC1 ZINC000161027056 349363917 /nfs/dbraw/zinc/36/39/17/349363917.db2.gz XEOFHVZCUGXWOB-ZIAGYGMSSA-N 1 0 243.391 2.429 20 70 BEIDRO COC[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)C(C)C ZINC000161105320 349375186 /nfs/dbraw/zinc/37/51/86/349375186.db2.gz GAFVXZXCPXCIJJ-RDBSUJKOSA-N 1 0 242.407 2.120 20 70 BEIDRO C[C@H](C[NH+](C)C)Nc1cccc(C(F)(F)F)n1 ZINC000161115962 349377204 /nfs/dbraw/zinc/37/72/04/349377204.db2.gz DNDVXIDEYCDFCR-MRVPVSSYSA-N 1 0 247.264 2.462 20 70 BEIDRO CC(C)[N@H+](C)CCNC(=O)CCC(C)(C)C ZINC000160179514 353376730 /nfs/dbraw/zinc/37/67/30/353376730.db2.gz ZDCIXKZNZOJEEI-UHFFFAOYSA-N 1 0 228.380 2.269 20 70 BEIDRO CCc1ccc(C[NH2+][C@@H]2CCC[C@H]2O)s1 ZINC000217823580 357911890 /nfs/dbraw/zinc/91/18/90/357911890.db2.gz IIFASPMNIJOFLD-VXGBXAGGSA-N 1 0 225.357 2.314 20 70 BEIDRO CC1(C)C[C@@H]([NH2+][C@@H]2CCCSC2)CCO1 ZINC000159991151 361297063 /nfs/dbraw/zinc/29/70/63/361297063.db2.gz YGNGQIMTZSDKKQ-WDEREUQCSA-N 1 0 229.389 2.429 20 70 BEIDRO CC[C@H](C[C@@H](C)CC)[NH2+][C@@H](C)CC(N)=O ZINC000160680622 361323484 /nfs/dbraw/zinc/32/34/84/361323484.db2.gz QLMCZMAEBMTMPP-GARJFASQSA-N 1 0 214.353 2.055 20 70 BEIDRO [NH3+]CCCC(=O)NCCCCC1CCCC1 ZINC000160901469 181371273 /nfs/dbraw/zinc/37/12/73/181371273.db2.gz JIRUTLVLHIHSCK-UHFFFAOYSA-N 1 0 226.364 2.202 20 70 BEIDRO [NH3+]CCCC(=O)N[C@H]1CCC[C@@H]1c1ccccc1 ZINC000159724779 181372377 /nfs/dbraw/zinc/37/23/77/181372377.db2.gz DCAGXLBTOCKCAA-KGLIPLIRSA-N 1 0 246.354 2.178 20 70 BEIDRO CCCC[C@@H](CC)CC(=O)NCCC[NH3+] ZINC000160064800 168955912 /nfs/dbraw/zinc/95/59/12/168955912.db2.gz PDKWBDKFXFDNTN-LLVKDONJSA-N 1 0 214.353 2.058 20 70 BEIDRO CCC[C@H](C)CC(=O)NCC([NH3+])(CC)CC ZINC000160483677 169477284 /nfs/dbraw/zinc/47/72/84/169477284.db2.gz SDZORSFPRNVGEB-NSHDSACASA-N 1 0 228.380 2.446 20 70 BEIDRO CCC[C@H]([NH3+])C(=O)N[C@@H](C)[C@@H](C)c1ccccc1 ZINC000160892721 169502745 /nfs/dbraw/zinc/50/27/45/169502745.db2.gz BFBPXSJJVGGNAM-DYEKYZERSA-N 1 0 248.370 2.422 20 70 BEIDRO CC[N@H+](C)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000159461095 384205434 /nfs/dbraw/zinc/20/54/34/384205434.db2.gz ZDIURVDBDRBVQU-LLVKDONJSA-N 1 0 242.363 2.195 20 70 BEIDRO C[C@@H](O)C[N@H+](C)[C@@H]1CCCc2ccccc21 ZINC000159538681 384337746 /nfs/dbraw/zinc/33/77/46/384337746.db2.gz CSADSUUKONBMHO-BXUZGUMPSA-N 1 0 219.328 2.377 20 70 BEIDRO Cn1cccc1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000159641225 384344727 /nfs/dbraw/zinc/34/47/27/384344727.db2.gz HSKFYXDNTJFDAP-MJBXVCDLSA-N 1 0 246.354 2.072 20 70 BEIDRO CCC(CC)CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159665814 384347339 /nfs/dbraw/zinc/34/73/39/384347339.db2.gz TVQFJOBHZXPOCP-BETUJISGSA-N 1 0 238.375 2.166 20 70 BEIDRO c1cncc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c1 ZINC000159661306 384348467 /nfs/dbraw/zinc/34/84/67/384348467.db2.gz FUKRSAMWHQDBHZ-MCIONIFRSA-N 1 0 244.338 2.129 20 70 BEIDRO CCC(CC)C[N@@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000159686225 384349633 /nfs/dbraw/zinc/34/96/33/384349633.db2.gz CUAKHORMXRFZFK-CMPLNLGQSA-N 1 0 226.364 2.008 20 70 BEIDRO CC[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000159719723 384351300 /nfs/dbraw/zinc/35/13/00/384351300.db2.gz KWMQODOZKGMKHI-HZSPNIEDSA-N 1 0 246.354 2.176 20 70 BEIDRO C[C@H]([NH2+]CCO)c1cccc(OC(F)(F)F)c1 ZINC000159718965 384352298 /nfs/dbraw/zinc/35/22/98/384352298.db2.gz ZVSHMXMTPKIBEO-QMMMGPOBSA-N 1 0 249.232 2.228 20 70 BEIDRO Cc1ccc([C@H]2CCCCN2C(=O)[C@H](C)[NH3+])cc1 ZINC000159912272 384370356 /nfs/dbraw/zinc/37/03/56/384370356.db2.gz OTBCGZLXTKVIKI-GXTWGEPZSA-N 1 0 246.354 2.396 20 70 BEIDRO CCCc1ccc(C(=O)N2CC[C@H]([NH2+]C)C2)cc1 ZINC000160736399 384430085 /nfs/dbraw/zinc/43/00/85/384430085.db2.gz LHFZVIUMJDJURV-AWEZNQCLSA-N 1 0 246.354 2.073 20 70 BEIDRO COC(C[N@@H+]1C[C@H](c2ccccc2)C[C@H]1C)OC ZINC000161129019 384467041 /nfs/dbraw/zinc/46/70/41/384467041.db2.gz GIBINJGIGLOFIE-TZMCWYRMSA-N 1 0 249.354 2.483 20 70 BEIDRO C([NH2+][C@@H]1CCCOCC1)C1CCSCC1 ZINC000161444844 385053054 /nfs/dbraw/zinc/05/30/54/385053054.db2.gz AFKSLZCDLBIYRH-GFCCVEGCSA-N 1 0 229.389 2.288 20 70 BEIDRO CCSCc1cccc(NC(=O)[C@@H](C)[NH3+])c1 ZINC000161480389 386166249 /nfs/dbraw/zinc/16/62/49/386166249.db2.gz VAQKPDJTHUTYDE-SECBINFHSA-N 1 0 238.356 2.225 20 70 BEIDRO CC(C)(C)CCCC(=O)N1CCC[C@@H]1C[NH3+] ZINC000160390930 387085694 /nfs/dbraw/zinc/08/56/94/387085694.db2.gz CEQJBHOXTSQDKD-LLVKDONJSA-N 1 0 226.364 2.153 20 70 BEIDRO CC[C@@H](COC)[NH2+][C@@H](C)c1cscn1 ZINC000161206514 387149460 /nfs/dbraw/zinc/14/94/60/387149460.db2.gz GBOSCALCVYZZHM-IUCAKERBSA-N 1 0 214.334 2.219 20 70 BEIDRO CCCn1c(C)nnc1C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000161224331 387155984 /nfs/dbraw/zinc/15/59/84/387155984.db2.gz CSYXIUTWZVPJTA-QWRGUYRKSA-N 1 0 236.363 2.369 20 70 BEIDRO c1cn(CC[N@H+](C2CC2)C2CCCC2)cn1 ZINC000161378189 387196550 /nfs/dbraw/zinc/19/65/50/387196550.db2.gz BIVOFOLAPWDSTM-UHFFFAOYSA-N 1 0 219.332 2.290 20 70 BEIDRO CC1(C)C[C@H]1[NH2+]Cc1cc(O)cc(F)c1 ZINC000159598002 388022728 /nfs/dbraw/zinc/02/27/28/388022728.db2.gz MNBWLECASBVGKA-LLVKDONJSA-N 1 0 209.264 2.419 20 70 BEIDRO CCc1nnc(C[NH2+][C@@H](C)C2CCCCC2)[nH]1 ZINC000160288238 388056731 /nfs/dbraw/zinc/05/67/31/388056731.db2.gz PKBKYDFLWBUUSY-JTQLQIEISA-N 1 0 236.363 2.426 20 70 BEIDRO CCCC[C@@H](C(=O)OC)[N@H+](C)CCCC ZINC000160796590 388091046 /nfs/dbraw/zinc/09/10/46/388091046.db2.gz GGPLKGGSPSWMSW-NSHDSACASA-N 1 0 215.337 2.450 20 70 BEIDRO CCCC[C@H](C(=O)OC)[N@H+](C)CC1CC1 ZINC000160797261 388091830 /nfs/dbraw/zinc/09/18/30/388091830.db2.gz QQNPTAGHVJFESR-LLVKDONJSA-N 1 0 213.321 2.060 20 70 BEIDRO CCCC[C@H](C(=O)OC)[N@H+](C)CC1CCC1 ZINC000160799717 388091840 /nfs/dbraw/zinc/09/18/40/388091840.db2.gz BUXTYNXHHGFDAN-GFCCVEGCSA-N 1 0 227.348 2.450 20 70 BEIDRO CCCC[C@H](C(=O)OC)[N@H+](C)CCC ZINC000160798909 388091854 /nfs/dbraw/zinc/09/18/54/388091854.db2.gz QXIHLTNPYZBOGL-SNVBAGLBSA-N 1 0 201.310 2.060 20 70 BEIDRO CCC1([NH2+]Cc2cn(C)nc2C)CCC1 ZINC000160162256 388049583 /nfs/dbraw/zinc/04/95/83/388049583.db2.gz LJZLQQFBAXOCIQ-UHFFFAOYSA-N 1 0 207.321 2.151 20 70 BEIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)C2CCCCCC2)C1 ZINC000161312826 133513203 /nfs/dbraw/zinc/51/32/03/133513203.db2.gz SCPCYBWKRQCNKO-OLZOCXBDSA-N 1 0 238.375 2.343 20 70 BEIDRO CC[C@@H](C)[C@@H]([NH3+])C(=O)NCc1ccc(C)cc1C ZINC000216638689 134154110 /nfs/dbraw/zinc/15/41/10/134154110.db2.gz SSWLPGXGVLWYOS-BXUZGUMPSA-N 1 0 248.370 2.293 20 70 BEIDRO C[C@]1(C(=O)Nc2ccsc2)CCCC[NH2+]1 ZINC000159581919 397948438 /nfs/dbraw/zinc/94/84/38/397948438.db2.gz NFZXZRAFUFJNNQ-LLVKDONJSA-N 1 0 224.329 2.219 20 70 BEIDRO COc1ccccc1C[N@H+](C)CC1=CCCOC1 ZINC000160423330 175324222 /nfs/dbraw/zinc/32/42/22/175324222.db2.gz MLFWMWCOFCKNPV-UHFFFAOYSA-N 1 0 247.338 2.474 20 70 BEIDRO C[C@@H](CC(=O)NCC(C)(C)[NH3+])C1CCCCC1 ZINC000160093447 175641515 /nfs/dbraw/zinc/64/15/15/175641515.db2.gz MAQLWNWVWOSRTE-NSHDSACASA-N 1 0 240.391 2.446 20 70 BEIDRO C[C@H]([NH2+][C@H](CCO)c1ccccc1)[C@H]1CCOC1 ZINC000160973494 176916987 /nfs/dbraw/zinc/91/69/87/176916987.db2.gz XXIJCGRCYYMBED-AEGPPILISA-N 1 0 249.354 2.125 20 70 BEIDRO CC(C)[C@H]([NH2+]CCCN1CCCC1=O)C1CC1 ZINC000159573916 323038399 /nfs/dbraw/zinc/03/83/99/323038399.db2.gz SGELYNLBKUXSPA-AWEZNQCLSA-N 1 0 238.375 2.023 20 70 BEIDRO CCc1nn(C)c(CC)c1C[NH+]1CCCC1 ZINC000159663638 323043450 /nfs/dbraw/zinc/04/34/50/323043450.db2.gz BVXNFSDSEMMRBC-UHFFFAOYSA-N 1 0 221.348 2.141 20 70 BEIDRO COc1ccc(C[N@H+](C)CC2=CCCOC2)cc1 ZINC000159867826 323050940 /nfs/dbraw/zinc/05/09/40/323050940.db2.gz HFAKBPCRKLOVEV-UHFFFAOYSA-N 1 0 247.338 2.474 20 70 BEIDRO Cc1nn(C)cc1C[NH2+]CCCC1CC1 ZINC000160151168 323061248 /nfs/dbraw/zinc/06/12/48/323061248.db2.gz FKGKAZAEWBIDGA-UHFFFAOYSA-N 1 0 207.321 2.008 20 70 BEIDRO Cn1cnnc1C[N@@H+]1CCC[C@H]1CC(C)(C)C ZINC000160876390 323137822 /nfs/dbraw/zinc/13/78/22/323137822.db2.gz OCEPSTJKWRVUOP-NSHDSACASA-N 1 0 236.363 2.216 20 70 BEIDRO CC(C)[NH2+]CCC(=O)N1C[C@@H](C)CCC[C@H]1C ZINC000160935546 323139470 /nfs/dbraw/zinc/13/94/70/323139470.db2.gz DJYYUVFOMLTIOJ-QWHCGFSZSA-N 1 0 240.391 2.412 20 70 BEIDRO CCC[C@@]1(C)CCCN(C(=O)[C@@H]([NH3+])CC)C1 ZINC000160934500 323139488 /nfs/dbraw/zinc/13/94/88/323139488.db2.gz SCKJRQVYFIWNJW-AAEUAGOBSA-N 1 0 226.364 2.153 20 70 BEIDRO CC(C)[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000161226727 323469506 /nfs/dbraw/zinc/46/95/06/323469506.db2.gz XBKJDLSDTUUHPJ-SECBINFHSA-N 1 0 225.254 2.030 20 70 BEIDRO Cc1ccc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)s1 ZINC000161419734 487495780 /nfs/dbraw/zinc/49/57/80/487495780.db2.gz BRKJBLPAFQKTBV-UWVGGRQHSA-N 1 0 238.356 2.056 20 70 BEIDRO Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c(C)c1 ZINC000160974906 488184015 /nfs/dbraw/zinc/18/40/15/488184015.db2.gz YHGHGJGHTMWOEP-CHWSQXEVSA-N 1 0 246.354 2.303 20 70 BEIDRO Cc1ccc(C(=O)OCCC[NH+]2CCCC2)cn1 ZINC000217009815 592092860 /nfs/dbraw/zinc/09/28/60/592092860.db2.gz HXJHCQLLQSBLGZ-UHFFFAOYSA-N 1 0 248.326 2.033 20 70 BEIDRO FC(F)(F)SCC[NH2+]Cc1nccs1 ZINC000218121739 592152441 /nfs/dbraw/zinc/15/24/41/592152441.db2.gz BGYCFLNCTJQAOH-UHFFFAOYSA-N 1 0 242.291 2.486 20 70 BEIDRO CCCC[NH2+]CCCn1nc(C)cc1C ZINC000218722097 592176103 /nfs/dbraw/zinc/17/61/03/592176103.db2.gz IHRQCKAWAKUWBA-UHFFFAOYSA-N 1 0 209.337 2.280 20 70 BEIDRO