smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@H+](CC1CCOCC1)C[C@@H]1CCCNC1 ZINC000042783259 343452981 /nfs/dbraw/zinc/45/29/81/343452981.db2.gz MOODZKXNWUAEJL-CYBMUJFWSA-N 1 3 226.364 1.344 50 0 BDAAHO C[N@@H+](CC1CCOCC1)C[C@@H]1CCCNC1 ZINC000042783259 343452984 /nfs/dbraw/zinc/45/29/84/343452984.db2.gz MOODZKXNWUAEJL-CYBMUJFWSA-N 1 3 226.364 1.344 50 0 BDAAHO C1CC1N1CC[C@@H](N[C@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000061981411 537936659 /nfs/dbraw/zinc/93/66/59/537936659.db2.gz UMGSGAJJBJCECI-SNPRPXQTSA-N 1 3 249.402 1.440 50 0 BDAAHO C1CC1N1CC[C@@H](N[C@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000061981411 537936664 /nfs/dbraw/zinc/93/66/64/537936664.db2.gz UMGSGAJJBJCECI-SNPRPXQTSA-N 1 3 249.402 1.440 50 0 BDAAHO CC(C)c1ccc(NC(=N)NC(N)=[NH2+])cc1 ZINC000015924303 347136912 /nfs/dbraw/zinc/13/69/12/347136912.db2.gz XURIIYDJLZLJCU-UHFFFAOYSA-N 1 3 219.292 1.640 50 0 BDAAHO CC(C)c1ccc(NC(=[NH2+])NC(=N)N)cc1 ZINC000015924303 347136914 /nfs/dbraw/zinc/13/69/14/347136914.db2.gz XURIIYDJLZLJCU-UHFFFAOYSA-N 1 3 219.292 1.640 50 0 BDAAHO NC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000037374859 181343217 /nfs/dbraw/zinc/34/32/17/181343217.db2.gz WKCGEZCOLSQCQQ-UHFFFAOYSA-N 1 3 216.328 1.577 50 0 BDAAHO [NH3+]CC1CCN(Cc2cccc(F)c2)CC1 ZINC000011889002 181365428 /nfs/dbraw/zinc/36/54/28/181365428.db2.gz UMRYEROXGGYCBP-UHFFFAOYSA-N 1 3 222.307 1.996 50 0 BDAAHO [NH3+]CCCCCN1CCC(F)(F)CC1 ZINC000085652809 181375553 /nfs/dbraw/zinc/37/55/53/181375553.db2.gz TZIOXBKABZNTJA-UHFFFAOYSA-N 1 3 206.280 1.847 50 0 BDAAHO CCN1C[C@H](Nc2cc(C)[nH+]c(C)c2)[C@@H](OC)C1 ZINC000584884990 369033387 /nfs/dbraw/zinc/03/33/87/369033387.db2.gz QZAFGTLLNQGYIU-KBPBESRZSA-N 1 3 249.358 1.251 50 0 BDAAHO CC(C)CN1CCC([NH2+]C[C@H](C)CCO)CC1 ZINC000096478801 371497692 /nfs/dbraw/zinc/49/76/92/371497692.db2.gz YTPXAIGSIBBMHK-CYBMUJFWSA-N 1 3 242.407 1.715 50 0 BDAAHO C[NH+](C)C[C@H](CN)c1ccc(Cl)cc1 ZINC000041226748 384183578 /nfs/dbraw/zinc/18/35/78/384183578.db2.gz QKZQZLFNHGBKPY-JTQLQIEISA-N 1 3 212.724 1.944 50 0 BDAAHO CN(C)CCN(CCC[NH3+])Cc1cccs1 ZINC000045796281 384409639 /nfs/dbraw/zinc/40/96/39/384409639.db2.gz YHPWVXAEUWWEPK-UHFFFAOYSA-N 1 3 241.404 1.461 50 0 BDAAHO Cc1ccc2n[nH]cc2c1[C@H]1CC[C@H](C[NH3+])NC1 ZINC000757207398 582559271 /nfs/dbraw/zinc/55/92/71/582559271.db2.gz ATMMMKHAVVMEFZ-WDEREUQCSA-N 1 3 244.342 1.666 50 0 BDAAHO Cc1ccc2n[nH]cc2c1[C@H]1CNCC[C@H]1[NH3+] ZINC000757212099 586438893 /nfs/dbraw/zinc/43/88/93/586438893.db2.gz LPVODKCTTXHODT-GXSJLCMTSA-N 1 3 230.315 1.276 50 0 BDAAHO Cc1cc2c[nH]nc2cc1[C@@H]1CC[C@H](C[NH3+])NC1 ZINC000757213879 712583109 /nfs/dbraw/zinc/58/31/09/712583109.db2.gz RHINYONIMYGJGS-ZYHUDNBSSA-N 1 3 244.342 1.666 50 0 BDAAHO Cc1ccc2n[nH]cc2c1[C@@H]1CCNC[C@@H]1[NH3+] ZINC000757213843 712583140 /nfs/dbraw/zinc/58/31/40/712583140.db2.gz RHBKAVMFHZSMQX-KOLCDFICSA-N 1 3 230.315 1.276 50 0 BDAAHO CCN(CC)CC[N@H+](CC)C1CCN(C)CC1 ZINC000019637456 342952836 /nfs/dbraw/zinc/95/28/36/342952836.db2.gz LOJUJLKBSOJDRU-UHFFFAOYSA-N 1 3 241.423 1.744 50 0 BDAAHO CCN(CC)CC[N@@H+](CC)C1CCN(C)CC1 ZINC000019637456 342952838 /nfs/dbraw/zinc/95/28/38/342952838.db2.gz LOJUJLKBSOJDRU-UHFFFAOYSA-N 1 3 241.423 1.744 50 0 BDAAHO CC[NH+]1CCC(NC2CC(F)(F)C2)CC1 ZINC000335604827 345418388 /nfs/dbraw/zinc/41/83/88/345418388.db2.gz RQXPYRSGVJYBJZ-UHFFFAOYSA-N 1 3 218.291 1.858 50 0 BDAAHO C1CC1N1CC[C@H](N[C@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000250877484 541441361 /nfs/dbraw/zinc/44/13/61/541441361.db2.gz UMGSGAJJBJCECI-QEJZJMRPSA-N 1 3 249.402 1.440 50 0 BDAAHO C1CC1N1CC[C@H](N[C@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000250877484 541441364 /nfs/dbraw/zinc/44/13/64/541441364.db2.gz UMGSGAJJBJCECI-QEJZJMRPSA-N 1 3 249.402 1.440 50 0 BDAAHO NCC[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000022937612 181396800 /nfs/dbraw/zinc/39/68/00/181396800.db2.gz GUHJWZDGUNYHAL-UHFFFAOYSA-N 1 3 233.359 1.199 50 0 BDAAHO C[N@H+](C[C@@H]1CCCO1)[C@H]1CCCC[C@H]1N ZINC000250448908 369527210 /nfs/dbraw/zinc/52/72/10/369527210.db2.gz VEMLLQAIJFCAAS-TUAOUCFPSA-N 1 3 212.337 1.367 50 0 BDAAHO C[N@@H+](C[C@@H]1CCCO1)[C@H]1CCCC[C@H]1N ZINC000250448908 369527215 /nfs/dbraw/zinc/52/72/15/369527215.db2.gz VEMLLQAIJFCAAS-TUAOUCFPSA-N 1 3 212.337 1.367 50 0 BDAAHO C[NH2+][C@H]1CCCC[C@H]1N(C)C1CCN(C)CC1 ZINC000043815242 384304090 /nfs/dbraw/zinc/30/40/90/384304090.db2.gz SQXROZHTTFVFOL-UONOGXRCSA-N 1 3 239.407 1.543 50 0 BDAAHO Cc1cccc2c(N3CC[NH2+]CC3)ccnc12 ZINC000040175307 132347125 /nfs/dbraw/zinc/34/71/25/132347125.db2.gz ZQFCDVLJLMRUEH-UHFFFAOYSA-N 1 3 227.311 1.953 50 0 BDAAHO Cc1ccc([O-])c(C[NH+]2CCC([C@@H](C)[NH3+])CC2)n1 ZINC000091996121 398120156 /nfs/dbraw/zinc/12/01/56/398120156.db2.gz RBEGOPUINFJNEL-LLVKDONJSA-N 1 3 249.358 1.655 50 0 BDAAHO CCN1CCN(Cc2cccc(C(N)=[NH2+])c2)CC1 ZINC000019429896 169994825 /nfs/dbraw/zinc/99/48/25/169994825.db2.gz PTRLAMANIUYXBD-UHFFFAOYSA-N 1 3 246.358 1.108 50 0 BDAAHO CNCc1ccccc1OCCC[NH+](C)C ZINC000012370632 173390780 /nfs/dbraw/zinc/39/07/80/173390780.db2.gz PSLNWMDOKBMVNV-UHFFFAOYSA-N 1 3 222.332 1.737 50 0 BDAAHO Cc1cc2c[nH]nc2cc1[C@@H]1CCNC[C@H]1[NH3+] ZINC000757212158 586438745 /nfs/dbraw/zinc/43/87/45/586438745.db2.gz MEGAAEBYUSQOSI-CMPLNLGQSA-N 1 3 230.315 1.276 50 0 BDAAHO Cc1cc2c[nH]nc2cc1[C@H]1CCN[C@H](C[NH3+])C1 ZINC000757215136 586440207 /nfs/dbraw/zinc/44/02/07/586440207.db2.gz VAJUHQAFFJVQMU-JQWIXIFHSA-N 1 3 244.342 1.666 50 0 BDAAHO c1cnnc(CN2CCCC3(CC[NH2+]CC3)C2)c1 ZINC000257696435 634468529 /nfs/dbraw/zinc/46/85/29/634468529.db2.gz KFVCAKBYWWACOH-UHFFFAOYSA-N 1 3 246.358 1.442 50 0 BDAAHO C[C@H]1C[NH2+]CC[C@H]1NC1CSCCSC1 ZINC000426549175 635726523 /nfs/dbraw/zinc/72/65/23/635726523.db2.gz NKWKMKWLHMMUHU-GXSJLCMTSA-N 1 3 246.445 1.423 50 0 BDAAHO CN(CCC(C)(C)O)C[C@H]1CC[N@@H+](C)C1(C)C ZINC000823690490 968556282 /nfs/dbraw/zinc/55/62/82/968556282.db2.gz YLFHIRMBVLELPH-GFCCVEGCSA-N 1 3 242.407 1.810 50 0 BDAAHO CN1CC[C@H](C[N@H+](C)CCC(C)(C)O)C1(C)C ZINC000823690490 968556291 /nfs/dbraw/zinc/55/62/91/968556291.db2.gz YLFHIRMBVLELPH-GFCCVEGCSA-N 1 3 242.407 1.810 50 0 BDAAHO CN1CC[C@H](C[N@@H+](C)CCC(C)(C)O)C1(C)C ZINC000823690490 968556299 /nfs/dbraw/zinc/55/62/99/968556299.db2.gz YLFHIRMBVLELPH-GFCCVEGCSA-N 1 3 242.407 1.810 50 0 BDAAHO CN(CCC(C)(C)O)C[C@H]1CC[N@H+](C)C1(C)C ZINC000823690490 968556276 /nfs/dbraw/zinc/55/62/76/968556276.db2.gz YLFHIRMBVLELPH-GFCCVEGCSA-N 1 3 242.407 1.810 50 0 BDAAHO CC(C)N1CCN(c2cc[nH+]cc2CO)CC1 ZINC000126421331 343905520 /nfs/dbraw/zinc/90/55/20/343905520.db2.gz NPJMHQCCPYWWNX-UHFFFAOYSA-N 1 3 235.331 1.104 50 0 BDAAHO CCN1CCC([N@H+](CC)CCN(C)C)CC1 ZINC000019636881 347251933 /nfs/dbraw/zinc/25/19/33/347251933.db2.gz SNYRJEUOPLTRKK-UHFFFAOYSA-N 1 3 227.396 1.354 50 0 BDAAHO CCN1CCC([N@@H+](CC)CCN(C)C)CC1 ZINC000019636881 347251935 /nfs/dbraw/zinc/25/19/35/347251935.db2.gz SNYRJEUOPLTRKK-UHFFFAOYSA-N 1 3 227.396 1.354 50 0 BDAAHO N=C1NC(Nc2ccccc2)=[NH+]C2(CCCC2)N1 ZINC000005741096 181337607 /nfs/dbraw/zinc/33/76/07/181337607.db2.gz GALPIDQVWMEDBO-UHFFFAOYSA-N 1 3 243.314 1.643 50 0 BDAAHO [NH3+]CC1CCN(Cc2ccc(F)cc2)CC1 ZINC000004342626 181365239 /nfs/dbraw/zinc/36/52/39/181365239.db2.gz AHUXENJTFOMIKS-UHFFFAOYSA-N 1 3 222.307 1.996 50 0 BDAAHO [NH3+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000019852851 181376084 /nfs/dbraw/zinc/37/60/84/181376084.db2.gz CELVPVTXKMNJMA-UHFFFAOYSA-N 1 3 247.386 1.543 50 0 BDAAHO Cc1ccc(C[NH2+]C2CCNCC2)cc1 ZINC000038040599 368047307 /nfs/dbraw/zinc/04/73/07/368047307.db2.gz LYEDXGNBAGQCRO-UHFFFAOYSA-N 1 3 204.317 1.837 50 0 BDAAHO NC[C@H](C[NH+]1CCCC1)[C@@H](O)c1ccccc1 ZINC000020283101 384609965 /nfs/dbraw/zinc/60/99/65/384609965.db2.gz UZWVWBHOYQMCCA-KGLIPLIRSA-N 1 3 234.343 1.391 50 0 BDAAHO [NH3+]C[C@H](CN1CCCC1)[C@@H](O)c1ccccc1 ZINC000020283101 384609970 /nfs/dbraw/zinc/60/99/70/384609970.db2.gz UZWVWBHOYQMCCA-KGLIPLIRSA-N 1 3 234.343 1.391 50 0 BDAAHO c1cc(N2CCN(C[C@H]3CCOC3)CC2)cc[nH+]1 ZINC000089884964 388369776 /nfs/dbraw/zinc/36/97/76/388369776.db2.gz LUVTWYLMBAVPLR-CYBMUJFWSA-N 1 3 247.342 1.240 50 0 BDAAHO Cc1ccc(N2C(=[NH2+])NC(=N)NC2(C)C)cc1 ZINC000017040529 132324011 /nfs/dbraw/zinc/32/40/11/132324011.db2.gz IVICPTLSOMKNRU-UHFFFAOYSA-N 1 3 231.303 1.181 50 0 BDAAHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCCc1ccccn1 ZINC000036907787 176278583 /nfs/dbraw/zinc/27/85/83/176278583.db2.gz LXSCDXAHRNDHAW-UMVBOHGHSA-N 1 3 247.386 1.942 50 0 BDAAHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCCc1ccccn1 ZINC000036907787 176278584 /nfs/dbraw/zinc/27/85/84/176278584.db2.gz LXSCDXAHRNDHAW-UMVBOHGHSA-N 1 3 247.386 1.942 50 0 BDAAHO Cc1cc2c[nH]nc2cc1[C@@H]1[NH2+]C[C@@H](N)C[C@@H]1C ZINC000757209073 586437667 /nfs/dbraw/zinc/43/76/67/586437667.db2.gz FOMAYWCETVDHGL-NURSFMCSSA-N 1 3 244.342 1.869 50 0 BDAAHO Cc1cc2c[nH]nc2cc1[C@@H]1CCNC[C@@H]1[NH3+] ZINC000757212159 586438975 /nfs/dbraw/zinc/43/89/75/586438975.db2.gz MEGAAEBYUSQOSI-JQWIXIFHSA-N 1 3 230.315 1.276 50 0 BDAAHO Cc1ccc2n[nH]cc2c1[C@H]1CC[C@H](C[NH3+])CN1 ZINC000757211102 643371317 /nfs/dbraw/zinc/37/13/17/643371317.db2.gz JDHDSVVUIAAFRE-ZWNOBZJWSA-N 1 3 244.342 1.871 50 0 BDAAHO Cc1ccc2n[nH]cc2c1[C@@H]1CC[C@@H](C[NH3+])CN1 ZINC000757211097 643371730 /nfs/dbraw/zinc/37/17/30/643371730.db2.gz JDHDSVVUIAAFRE-GWCFXTLKSA-N 1 3 244.342 1.871 50 0 BDAAHO c1cn(CCCN2CCC[C@@]3(CC[NH2+]C3)C2)cn1 ZINC001506421014 988781851 /nfs/dbraw/zinc/78/18/51/988781851.db2.gz DCLLYSBWIDWBLX-AWEZNQCLSA-N 1 3 248.374 1.349 50 0 BDAAHO Cc1cccc(C)c1NC(=[NH2+])NC(=N)N ZINC000006071638 187248501 /nfs/dbraw/zinc/24/85/01/187248501.db2.gz HPDCRAOWFOIELP-UHFFFAOYSA-N 1 3 205.265 1.133 50 0 BDAAHO Cc1ccc(NC(=N)NC(N)=[NH2+])cc1Cl ZINC000000089482 187300991 /nfs/dbraw/zinc/30/09/91/187300991.db2.gz LIIRNJNGOKYCIP-UHFFFAOYSA-N 1 3 225.683 1.478 50 0 BDAAHO Cc1ccc(NC(=[NH2+])NC(=N)N)cc1Cl ZINC000000089482 187300993 /nfs/dbraw/zinc/30/09/93/187300993.db2.gz LIIRNJNGOKYCIP-UHFFFAOYSA-N 1 3 225.683 1.478 50 0 BDAAHO Cc1ccccc1C[N@@H+]1CCCNCC1 ZINC000022151064 179273037 /nfs/dbraw/zinc/27/30/37/179273037.db2.gz YZYWLUMZHQKNJJ-UHFFFAOYSA-N 1 3 204.317 1.790 50 0 BDAAHO Cc1ccccc1C[N@H+]1CCCNCC1 ZINC000022151064 179273039 /nfs/dbraw/zinc/27/30/39/179273039.db2.gz YZYWLUMZHQKNJJ-UHFFFAOYSA-N 1 3 204.317 1.790 50 0 BDAAHO C[N@H+](C[C@@H]1CCCO1)[C@@H]1CCCC[C@H]1N ZINC000040449157 350365043 /nfs/dbraw/zinc/36/50/43/350365043.db2.gz VEMLLQAIJFCAAS-QJPTWQEYSA-N 1 3 212.337 1.367 50 0 BDAAHO C[N@@H+](C[C@@H]1CCCO1)[C@@H]1CCCC[C@H]1N ZINC000040449157 350365047 /nfs/dbraw/zinc/36/50/47/350365047.db2.gz VEMLLQAIJFCAAS-QJPTWQEYSA-N 1 3 212.337 1.367 50 0 BDAAHO [NH3+]CC1CCN(Cc2ccncc2)CC1 ZINC000019843455 181364790 /nfs/dbraw/zinc/36/47/90/181364790.db2.gz QWYZQRGABBLMQB-UHFFFAOYSA-N 1 3 205.305 1.252 50 0 BDAAHO c1ccc2c(c1)CC[NH2+]C21CCNCC1 ZINC000038979799 384891571 /nfs/dbraw/zinc/89/15/71/384891571.db2.gz SSTCSQVWAMVDNW-UHFFFAOYSA-N 1 3 202.301 1.411 50 0 BDAAHO [NH3+]CCCCN1CCN(c2ccccc2)CC1 ZINC000011805323 132320705 /nfs/dbraw/zinc/32/07/05/132320705.db2.gz RWIRRGMFYMCBLH-UHFFFAOYSA-N 1 3 233.359 1.548 50 0 BDAAHO C[C@H]1C[C@@H](C[NH3+])CN1Cc1ccccc1 ZINC000082164333 177324511 /nfs/dbraw/zinc/32/45/11/177324511.db2.gz BIDKDUYMXXPICF-AAEUAGOBSA-N 1 3 204.317 1.856 50 0 BDAAHO C[C@H]1C[C@@H](CN)C[N@@H+]1Cc1ccccc1 ZINC000082164333 177324512 /nfs/dbraw/zinc/32/45/12/177324512.db2.gz BIDKDUYMXXPICF-AAEUAGOBSA-N 1 3 204.317 1.856 50 0 BDAAHO C[C@H]1C[C@@H](CN)C[N@H+]1Cc1ccccc1 ZINC000082164333 177324513 /nfs/dbraw/zinc/32/45/13/177324513.db2.gz BIDKDUYMXXPICF-AAEUAGOBSA-N 1 3 204.317 1.856 50 0 BDAAHO Cc1cc2c[nH]nc2cc1[C@H]1CC[C@H](C[NH3+])CN1 ZINC000757210021 586438487 /nfs/dbraw/zinc/43/84/87/586438487.db2.gz HCLMNDGTICJDNW-ZWNOBZJWSA-N 1 3 244.342 1.871 50 0 BDAAHO c1ccc(CN2C[C@H]3CC[NH2+]C[C@H]3C2)cc1 ZINC000006061233 342773350 /nfs/dbraw/zinc/77/33/50/342773350.db2.gz VZMAYQMDXZLZFZ-KGLIPLIRSA-N 1 3 216.328 1.728 50 0 BDAAHO c1ccc(C[N@@H+]2C[C@H]3CCNC[C@H]3C2)cc1 ZINC000006061233 342773351 /nfs/dbraw/zinc/77/33/51/342773351.db2.gz VZMAYQMDXZLZFZ-KGLIPLIRSA-N 1 3 216.328 1.728 50 0 BDAAHO c1ccc(C[N@H+]2C[C@H]3CCNC[C@H]3C2)cc1 ZINC000006061233 342773352 /nfs/dbraw/zinc/77/33/52/342773352.db2.gz VZMAYQMDXZLZFZ-KGLIPLIRSA-N 1 3 216.328 1.728 50 0 BDAAHO CC(C)[NH+]1CCC([C@H]2NCCc3nc[nH]c32)CC1 ZINC000065371414 187273589 /nfs/dbraw/zinc/27/35/89/187273589.db2.gz LVPBCLBQWICIHC-CYBMUJFWSA-N 1 3 248.374 1.717 50 0 BDAAHO CN(CCC[C@@H]1CCCO1)C1CC[NH2+]CC1 ZINC000067855727 383953042 /nfs/dbraw/zinc/95/30/42/383953042.db2.gz LVAMJBIFPIAFMK-CYBMUJFWSA-N 1 3 226.364 1.629 50 0 BDAAHO Cn1cccc1C[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000050595878 384102638 /nfs/dbraw/zinc/10/26/38/384102638.db2.gz NFEPGKWTVCGLMK-LBPRGKRZSA-N 1 3 233.359 1.599 50 0 BDAAHO CCC[C@H](N)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000262680875 384606642 /nfs/dbraw/zinc/60/66/42/384606642.db2.gz XGGPDQSXYNFCCM-WOPDTQHZSA-N 1 3 241.379 1.055 50 0 BDAAHO CCC[C@H](N)C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000262680875 384606645 /nfs/dbraw/zinc/60/66/45/384606645.db2.gz XGGPDQSXYNFCCM-WOPDTQHZSA-N 1 3 241.379 1.055 50 0 BDAAHO C[C@H]([NH3+])C1CCN(Cc2cccc(O)c2)CC1 ZINC000113207406 387114628 /nfs/dbraw/zinc/11/46/28/387114628.db2.gz HQUPZMSWMPHMLE-NSHDSACASA-N 1 3 234.343 1.951 50 0 BDAAHO [NH3+]C[C@@H]1CCCN(CCc2ccccc2)C1 ZINC000004384303 397925326 /nfs/dbraw/zinc/92/53/26/397925326.db2.gz UWOLTVQMHDWUBB-AWEZNQCLSA-N 1 3 218.344 1.900 50 0 BDAAHO NC[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000004384303 397925333 /nfs/dbraw/zinc/92/53/33/397925333.db2.gz UWOLTVQMHDWUBB-AWEZNQCLSA-N 1 3 218.344 1.900 50 0 BDAAHO NC[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000004384303 397925340 /nfs/dbraw/zinc/92/53/40/397925340.db2.gz UWOLTVQMHDWUBB-AWEZNQCLSA-N 1 3 218.344 1.900 50 0 BDAAHO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1 ZINC000062569201 177264358 /nfs/dbraw/zinc/26/43/58/177264358.db2.gz NGECKXKOOXAGCQ-LBPRGKRZSA-N 1 3 204.317 1.870 50 0 BDAAHO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1 ZINC000062569201 177264360 /nfs/dbraw/zinc/26/43/60/177264360.db2.gz NGECKXKOOXAGCQ-LBPRGKRZSA-N 1 3 204.317 1.870 50 0 BDAAHO C[C@@H]1C[C@@H](N(C)C(=O)CC(C)(C)[NH3+])CCN1C ZINC000237465640 487473859 /nfs/dbraw/zinc/47/38/59/487473859.db2.gz UUWIBNAAKXLHST-MNOVXSKESA-N 1 3 241.379 1.055 50 0 BDAAHO Cc1cc2c[nH]nc2cc1[C@H]1CNC[C@@H](C[NH3+])C1 ZINC000757207446 582559102 /nfs/dbraw/zinc/55/91/02/582559102.db2.gz BFHFLCYJVCBITP-GHMZBOCLSA-N 1 3 244.342 1.523 50 0 BDAAHO Cc1cc2c[nH]nc2cc1[C@H]1C[NH2+]C[C@@H](CN)C1 ZINC000757207446 582559105 /nfs/dbraw/zinc/55/91/05/582559105.db2.gz BFHFLCYJVCBITP-GHMZBOCLSA-N 1 3 244.342 1.523 50 0 BDAAHO Cc1cc2c[nH]nc2cc1[C@H]1CCNC[C@H]1[NH3+] ZINC000757212163 586438873 /nfs/dbraw/zinc/43/88/73/586438873.db2.gz MEGAAEBYUSQOSI-ZYHUDNBSSA-N 1 3 230.315 1.276 50 0 BDAAHO Cc1cc2c[nH]nc2cc1[C@@H]1CCN[C@H](C[NH3+])C1 ZINC000757215138 586440149 /nfs/dbraw/zinc/44/01/49/586440149.db2.gz VAJUHQAFFJVQMU-PWSUYJOCSA-N 1 3 244.342 1.666 50 0 BDAAHO Cc1cc2c[nH]nc2cc1[C@@H]1CCN[C@@H](C[NH3+])C1 ZINC000757215139 586440253 /nfs/dbraw/zinc/44/02/53/586440253.db2.gz VAJUHQAFFJVQMU-ZYHUDNBSSA-N 1 3 244.342 1.666 50 0 BDAAHO Cc1cc2c[nH]nc2cc1[C@H]1CNCC[C@H]1[NH3+] ZINC000757214391 586440463 /nfs/dbraw/zinc/44/04/63/586440463.db2.gz SEBDDRRLCRPNDR-VXGBXAGGSA-N 1 3 230.315 1.276 50 0 BDAAHO Cc1cc2c[nH]nc2cc1[C@H]1C[NH2+]CC[C@H]1N ZINC000757214391 586440464 /nfs/dbraw/zinc/44/04/64/586440464.db2.gz SEBDDRRLCRPNDR-VXGBXAGGSA-N 1 3 230.315 1.276 50 0 BDAAHO Cc1ccc2n[nH]cc2c1[C@H]1C[NH2+]C[C@H](CN)C1 ZINC000757216150 586440697 /nfs/dbraw/zinc/44/06/97/586440697.db2.gz YBEQNHUUCFGELZ-WDEREUQCSA-N 1 3 244.342 1.523 50 0 BDAAHO Cc1ccc2n[nH]cc2c1[C@H]1CNC[C@H](C[NH3+])C1 ZINC000757216150 586440699 /nfs/dbraw/zinc/44/06/99/586440699.db2.gz YBEQNHUUCFGELZ-WDEREUQCSA-N 1 3 244.342 1.523 50 0 BDAAHO CC[N@@H+]1CCC[C@@H]1CNc1cc(CN)nc(C)n1 ZINC000067739806 636780719 /nfs/dbraw/zinc/78/07/19/636780719.db2.gz WVKUJRGFMPCNHO-GFCCVEGCSA-N 1 3 249.362 1.140 50 0 BDAAHO CC[N@H+]1CCC[C@@H]1CNc1cc(CN)nc(C)n1 ZINC000067739806 636780728 /nfs/dbraw/zinc/78/07/28/636780728.db2.gz WVKUJRGFMPCNHO-GFCCVEGCSA-N 1 3 249.362 1.140 50 0 BDAAHO Cc1ccc(NC(=N)NC(N)=[NH2+])cc1C ZINC000000470763 342688226 /nfs/dbraw/zinc/68/82/26/342688226.db2.gz VFRGNRZIYZQAOC-UHFFFAOYSA-N 1 3 205.265 1.133 50 0 BDAAHO Cc1ccc(NC(=[NH2+])NC(=N)N)cc1C ZINC000000470763 342688227 /nfs/dbraw/zinc/68/82/27/342688227.db2.gz VFRGNRZIYZQAOC-UHFFFAOYSA-N 1 3 205.265 1.133 50 0 BDAAHO C[NH+]1CCC(N(CCO)Cc2ccccc2)CC1 ZINC000000757874 342692255 /nfs/dbraw/zinc/69/22/55/342692255.db2.gz ISOUJYYDRUUWMG-UHFFFAOYSA-N 1 3 248.370 1.575 50 0 BDAAHO CN(C)CCOc1ccc(CC[NH3+])cc1 ZINC000011799267 187250417 /nfs/dbraw/zinc/25/04/17/187250417.db2.gz DWBYXARWRLJDFK-UHFFFAOYSA-N 1 3 208.305 1.128 50 0 BDAAHO CCCSCC[NH2+]C1CCNCC1 ZINC000067975299 169339829 /nfs/dbraw/zinc/33/98/29/169339829.db2.gz ACFZFTFMJSZLMV-UHFFFAOYSA-N 1 3 202.367 1.471 50 0 BDAAHO CCCSCCNC1CC[NH2+]CC1 ZINC000067975299 169339831 /nfs/dbraw/zinc/33/98/31/169339831.db2.gz ACFZFTFMJSZLMV-UHFFFAOYSA-N 1 3 202.367 1.471 50 0 BDAAHO C[N@H+](Cc1ccccc1)C1CCNCC1 ZINC000000818596 383880692 /nfs/dbraw/zinc/88/06/92/383880692.db2.gz JQSWRIGANADNJD-UHFFFAOYSA-N 1 3 204.317 1.870 50 0 BDAAHO C[N@@H+](Cc1ccccc1)C1CCNCC1 ZINC000000818596 383880693 /nfs/dbraw/zinc/88/06/93/383880693.db2.gz JQSWRIGANADNJD-UHFFFAOYSA-N 1 3 204.317 1.870 50 0 BDAAHO c1nc(CN2CCCC3(CC[NH2+]CC3)CC2)c[nH]1 ZINC000067789068 383946554 /nfs/dbraw/zinc/94/65/54/383946554.db2.gz KSOWCHNXIXYGBU-UHFFFAOYSA-N 1 3 248.374 1.765 50 0 BDAAHO c1ncc(CN2CCCC3(CC[NH2+]CC3)CC2)[nH]1 ZINC000067789068 383946560 /nfs/dbraw/zinc/94/65/60/383946560.db2.gz KSOWCHNXIXYGBU-UHFFFAOYSA-N 1 3 248.374 1.765 50 0 BDAAHO Cc1ccc([C@H](O)CNC2CC[NH+](C)CC2)cc1 ZINC000084148703 384758748 /nfs/dbraw/zinc/75/87/48/384758748.db2.gz QDJXNFMVIOKPHV-OAHLLOKOSA-N 1 3 248.370 1.712 50 0 BDAAHO COCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000089410275 387379371 /nfs/dbraw/zinc/37/93/71/387379371.db2.gz PSODIZHFTMSKDU-UHFFFAOYSA-N 1 3 235.331 1.240 50 0 BDAAHO CCOC(=O)[C@H]1CCC[N@@H+](C2CCNCC2)C1 ZINC000004312830 170280265 /nfs/dbraw/zinc/28/02/65/170280265.db2.gz NCCMYMPJFQWVCO-NSHDSACASA-N 1 3 240.347 1.014 50 0 BDAAHO CCOC(=O)[C@H]1CCC[N@H+](C2CCNCC2)C1 ZINC000004312830 170280267 /nfs/dbraw/zinc/28/02/67/170280267.db2.gz NCCMYMPJFQWVCO-NSHDSACASA-N 1 3 240.347 1.014 50 0 BDAAHO CN1CCCN(c2ccccc2C[NH3+])CC1 ZINC000012370644 173018963 /nfs/dbraw/zinc/01/89/63/173018963.db2.gz YLJBTEMLBKZLIT-UHFFFAOYSA-N 1 3 219.332 1.287 50 0 BDAAHO C[NH2+]Cc1cccc(OCCN(C)C)c1 ZINC000019776972 173389571 /nfs/dbraw/zinc/38/95/71/173389571.db2.gz IRNGMQPGWPHNFO-UHFFFAOYSA-N 1 3 208.305 1.346 50 0 BDAAHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH3+] ZINC000026897155 177265063 /nfs/dbraw/zinc/26/50/63/177265063.db2.gz MGTFEKWKCLDVNN-AAEUAGOBSA-N 1 3 204.317 1.856 50 0 BDAAHO CC(C)[C@H]1CN(C2CCOCC2)C[C@@H]1[NH3+] ZINC000091665386 488057699 /nfs/dbraw/zinc/05/76/99/488057699.db2.gz QKMLZUVHFQFFAA-NEPJUHHUSA-N 1 3 212.337 1.081 50 0 BDAAHO Cc1cc2c[nH]nc2cc1[C@@H]1NCCC[C@@H]1C[NH3+] ZINC000757212121 586438989 /nfs/dbraw/zinc/43/89/89/586438989.db2.gz LZUFYKYGKBUOOE-QMTHXVAHSA-N 1 3 244.342 1.871 50 0 BDAAHO CN(CCC(C)(C)O)C[C@@H]1CC[N@H+](C)C1(C)C ZINC000823690491 968555143 /nfs/dbraw/zinc/55/51/43/968555143.db2.gz YLFHIRMBVLELPH-LBPRGKRZSA-N 1 3 242.407 1.810 50 0 BDAAHO CN(CCC(C)(C)O)C[C@@H]1CC[N@@H+](C)C1(C)C ZINC000823690491 968555149 /nfs/dbraw/zinc/55/51/49/968555149.db2.gz YLFHIRMBVLELPH-LBPRGKRZSA-N 1 3 242.407 1.810 50 0 BDAAHO CN1CC[C@@H](C[N@H+](C)CCC(C)(C)O)C1(C)C ZINC000823690491 968555155 /nfs/dbraw/zinc/55/51/55/968555155.db2.gz YLFHIRMBVLELPH-LBPRGKRZSA-N 1 3 242.407 1.810 50 0 BDAAHO CN1CC[C@@H](C[N@@H+](C)CCC(C)(C)O)C1(C)C ZINC000823690491 968555160 /nfs/dbraw/zinc/55/51/60/968555160.db2.gz YLFHIRMBVLELPH-LBPRGKRZSA-N 1 3 242.407 1.810 50 0 BDAAHO Cc1ccc(-c2n[nH]cc2C[NH2+]CCN)o1 ZINC000037712993 178331815 /nfs/dbraw/zinc/33/18/15/178331815.db2.gz CXWSYZAZAKVYKM-UHFFFAOYSA-N 1 3 220.276 1.026 50 0 BDAAHO Cc1[nH]c(C)c(C[NH+](C)C)c1CN(C)C ZINC000001589978 342704617 /nfs/dbraw/zinc/70/46/17/342704617.db2.gz IWCTUQVJGXUFIL-UHFFFAOYSA-N 1 3 209.337 1.755 50 0 in-vitro BDAAHO CN1[C@H](c2ccccc2)[C@H](C[NH3+])C[C@]1(C)CO ZINC000101006166 343399573 /nfs/dbraw/zinc/39/95/73/343399573.db2.gz KPPJHGVBDBRRCV-BFHYXJOUSA-N 1 3 234.343 1.389 50 0 BDAAHO C[N@@H+]1[C@H](c2ccccc2)[C@H](CN)C[C@]1(C)CO ZINC000101006166 343399575 /nfs/dbraw/zinc/39/95/75/343399575.db2.gz KPPJHGVBDBRRCV-BFHYXJOUSA-N 1 3 234.343 1.389 50 0 BDAAHO C[N@H+]1[C@H](c2ccccc2)[C@H](CN)C[C@]1(C)CO ZINC000101006166 343399577 /nfs/dbraw/zinc/39/95/77/343399577.db2.gz KPPJHGVBDBRRCV-BFHYXJOUSA-N 1 3 234.343 1.389 50 0 BDAAHO CC(C)N1CCN(c2cc[nH+]cc2)CC1 ZINC000147744366 537954868 /nfs/dbraw/zinc/95/48/68/537954868.db2.gz OQABPTHCRBLCGL-UHFFFAOYSA-N 1 3 205.305 1.612 50 0 BDAAHO CSc1ccccc1NC(=N)NC(N)=[NH2+] ZINC000020459009 347451349 /nfs/dbraw/zinc/45/13/49/347451349.db2.gz RGVSKKLRICJSNS-UHFFFAOYSA-N 1 3 223.305 1.238 50 0 BDAAHO CCCN1CCC([N@H+](CC)CCN(C)C)CC1 ZINC000019636868 169186561 /nfs/dbraw/zinc/18/65/61/169186561.db2.gz ZVSKCAFIZRYDMJ-UHFFFAOYSA-N 1 3 241.423 1.744 50 0 BDAAHO CCCN1CCC([N@@H+](CC)CCN(C)C)CC1 ZINC000019636868 169186563 /nfs/dbraw/zinc/18/65/63/169186563.db2.gz ZVSKCAFIZRYDMJ-UHFFFAOYSA-N 1 3 241.423 1.744 50 0 BDAAHO CN(CCC[C@H]1CCCO1)C1CC[NH2+]CC1 ZINC000067855729 383951757 /nfs/dbraw/zinc/95/17/57/383951757.db2.gz LVAMJBIFPIAFMK-ZDUSSCGKSA-N 1 3 226.364 1.629 50 0 BDAAHO c1ccc(CN2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000004203956 384044918 /nfs/dbraw/zinc/04/49/18/384044918.db2.gz VZMAYQMDXZLZFZ-UONOGXRCSA-N 1 3 216.328 1.728 50 0 BDAAHO c1ccc(C[N@@H+]2C[C@@H]3CCNC[C@@H]3C2)cc1 ZINC000004203956 384044920 /nfs/dbraw/zinc/04/49/20/384044920.db2.gz VZMAYQMDXZLZFZ-UONOGXRCSA-N 1 3 216.328 1.728 50 0 BDAAHO c1ccc(C[N@H+]2C[C@@H]3CCNC[C@@H]3C2)cc1 ZINC000004203956 384044923 /nfs/dbraw/zinc/04/49/23/384044923.db2.gz VZMAYQMDXZLZFZ-UONOGXRCSA-N 1 3 216.328 1.728 50 0 BDAAHO NC[C@@H](C[NH+]1CCCC1)[C@H](O)c1ccccc1 ZINC000020283105 384608912 /nfs/dbraw/zinc/60/89/12/384608912.db2.gz UZWVWBHOYQMCCA-UONOGXRCSA-N 1 3 234.343 1.391 50 0 BDAAHO [NH3+]C[C@@H](CN1CCCC1)[C@H](O)c1ccccc1 ZINC000020283105 384608916 /nfs/dbraw/zinc/60/89/16/384608916.db2.gz UZWVWBHOYQMCCA-UONOGXRCSA-N 1 3 234.343 1.391 50 0 BDAAHO Cc1n[nH]cc1CNCCC1CC[NH+](C)CC1 ZINC000105454211 387933441 /nfs/dbraw/zinc/93/34/41/387933441.db2.gz NRFOKTKPVIZCIG-UHFFFAOYSA-N 1 3 236.363 1.540 50 0 BDAAHO Cc1n[nH]cc1C[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000037648932 388475114 /nfs/dbraw/zinc/47/51/14/388475114.db2.gz VVAMSZZBDDNAGD-LLVKDONJSA-N 1 3 234.347 1.292 50 0 BDAAHO Cc1cccc(N2CCN(CCCC[NH3+])CC2)c1 ZINC000011805329 132320662 /nfs/dbraw/zinc/32/06/62/132320662.db2.gz QHPQSVBCZGRFSE-UHFFFAOYSA-N 1 3 247.386 1.856 50 0 BDAAHO C[NH2+]Cc1ccccc1N1CCCN(C)CC1 ZINC000012370647 173390351 /nfs/dbraw/zinc/39/03/51/173390351.db2.gz OEVIJYRNRIFBSO-UHFFFAOYSA-N 1 3 233.359 1.548 50 0 BDAAHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]CCCN(C)C ZINC000033748268 176278720 /nfs/dbraw/zinc/27/87/20/176278720.db2.gz ZFMHJCHHDNGZAM-JHJVBQTASA-N 1 3 227.396 1.256 50 0 BDAAHO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]CCCN(C)C ZINC000033748270 177330519 /nfs/dbraw/zinc/33/05/19/177330519.db2.gz ZFMHJCHHDNGZAM-FRRDWIJNSA-N 1 3 227.396 1.256 50 0 BDAAHO CN(C)CCOCC[NH2+]CC(C)(C)C ZINC000097101487 490317557 /nfs/dbraw/zinc/31/75/57/490317557.db2.gz TWOJPSNXCLKSPZ-UHFFFAOYSA-N 1 3 202.342 1.200 50 0 BDAAHO CN1CCC[C@H]1CC[NH2+][C@H]1CCSC1 ZINC000244601748 523846116 /nfs/dbraw/zinc/84/61/16/523846116.db2.gz DRHJDVZKNVDIRZ-QWRGUYRKSA-N 1 3 214.378 1.566 50 0 BDAAHO C[N@@H+]1CCC[C@H]1CCN[C@H]1CCSC1 ZINC000244601748 523846120 /nfs/dbraw/zinc/84/61/20/523846120.db2.gz DRHJDVZKNVDIRZ-QWRGUYRKSA-N 1 3 214.378 1.566 50 0 BDAAHO C[N@H+]1CCC[C@H]1CCN[C@H]1CCSC1 ZINC000244601748 523846125 /nfs/dbraw/zinc/84/61/25/523846125.db2.gz DRHJDVZKNVDIRZ-QWRGUYRKSA-N 1 3 214.378 1.566 50 0 BDAAHO Cc1ccc2n[nH]cc2c1[C@@H]1[NH2+]C[C@@H](N)C[C@H]1C ZINC000757208752 582559803 /nfs/dbraw/zinc/55/98/03/582559803.db2.gz DAXRXQLVNFBKKN-ISTVAULSSA-N 1 3 244.342 1.869 50 0 BDAAHO Cc1ccc2n[nH]cc2c1[C@H]1CCN[C@H](C[NH3+])C1 ZINC000757210054 586438211 /nfs/dbraw/zinc/43/82/11/586438211.db2.gz HTIRUOIHYRTFRP-QWRGUYRKSA-N 1 3 244.342 1.666 50 0 BDAAHO Cc1ccc2n[nH]cc2c1[C@@H]1C[C@H]([NH3+])CCN1 ZINC000757213729 586439845 /nfs/dbraw/zinc/43/98/45/586439845.db2.gz QSUFMVQCIBPYSA-SKDRFNHKSA-N 1 3 230.315 1.623 50 0 BDAAHO [NH3+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000100914618 368377383 /nfs/dbraw/zinc/37/73/83/368377383.db2.gz AZKBNPLDOBTBBR-MELADBBJSA-N 1 3 216.328 1.856 50 0 BDAAHO OCC[NH+]1CCC(CNCc2ccco2)CC1 ZINC000069431879 183071506 /nfs/dbraw/zinc/07/15/06/183071506.db2.gz PYUNDLJJQHJREK-UHFFFAOYSA-N 1 3 238.331 1.074 50 0 BDAAHO C[C@@H]([NH2+]CC[C@@H]1CCCN1C)C1CCOCC1 ZINC000096492059 385232601 /nfs/dbraw/zinc/23/26/01/385232601.db2.gz MTVSZIOPBPOQPB-OCCSQVGLSA-N 1 3 240.391 1.875 50 0 BDAAHO C[C@@H]([NH3+])[C@H]1CCN(Cc2ccccc2)C1 ZINC000034061593 385273812 /nfs/dbraw/zinc/27/38/12/385273812.db2.gz MVLOUNCMDFCYHO-YPMHNXCESA-N 1 3 204.317 1.856 50 0 BDAAHO CN1CCC[C@H]1CC[NH2+][C@@H]1CCSC1 ZINC000023279925 173052334 /nfs/dbraw/zinc/05/23/34/173052334.db2.gz DRHJDVZKNVDIRZ-MNOVXSKESA-N 1 3 214.378 1.566 50 0 BDAAHO C[N@@H+]1CCC[C@H]1CCN[C@@H]1CCSC1 ZINC000023279925 173052335 /nfs/dbraw/zinc/05/23/35/173052335.db2.gz DRHJDVZKNVDIRZ-MNOVXSKESA-N 1 3 214.378 1.566 50 0 BDAAHO C[N@H+]1CCC[C@H]1CCN[C@@H]1CCSC1 ZINC000023279925 173052337 /nfs/dbraw/zinc/05/23/37/173052337.db2.gz DRHJDVZKNVDIRZ-MNOVXSKESA-N 1 3 214.378 1.566 50 0 BDAAHO CN1CCC[C@@H]1CC[NH2+][C@H]1CCSC1 ZINC000244601749 523823636 /nfs/dbraw/zinc/82/36/36/523823636.db2.gz DRHJDVZKNVDIRZ-WDEREUQCSA-N 1 3 214.378 1.566 50 0 BDAAHO C[N@@H+]1CCC[C@@H]1CCN[C@H]1CCSC1 ZINC000244601749 523823644 /nfs/dbraw/zinc/82/36/44/523823644.db2.gz DRHJDVZKNVDIRZ-WDEREUQCSA-N 1 3 214.378 1.566 50 0 BDAAHO C[N@H+]1CCC[C@@H]1CCN[C@H]1CCSC1 ZINC000244601749 523823651 /nfs/dbraw/zinc/82/36/51/523823651.db2.gz DRHJDVZKNVDIRZ-WDEREUQCSA-N 1 3 214.378 1.566 50 0 BDAAHO Cc1ccc2n[nH]cc2c1[C@H]1CC[C@@H](C[NH3+])NC1 ZINC000757207394 582559001 /nfs/dbraw/zinc/55/90/01/582559001.db2.gz ATMMMKHAVVMEFZ-QWRGUYRKSA-N 1 3 244.342 1.666 50 0 BDAAHO Cc1ccc2n[nH]cc2c1[C@@H]1CC[C@H](C[NH3+])NC1 ZINC000757207391 582559202 /nfs/dbraw/zinc/55/92/02/582559202.db2.gz ATMMMKHAVVMEFZ-GHMZBOCLSA-N 1 3 244.342 1.666 50 0 BDAAHO Cc1ccc2n[nH]cc2c1[C@@H]1C[C@@H](C)[C@@H](N)C[NH2+]1 ZINC000757213575 586439864 /nfs/dbraw/zinc/43/98/64/586439864.db2.gz PRHBPHJMLSRTCP-CDMKHQONSA-N 1 3 244.342 1.869 50 0 BDAAHO Cc1cc2c[nH]nc2cc1[C@@H]1CC[C@@H](C[NH3+])NC1 ZINC000757213858 712583180 /nfs/dbraw/zinc/58/31/80/712583180.db2.gz RHINYONIMYGJGS-PWSUYJOCSA-N 1 3 244.342 1.666 50 0 BDAAHO Cc1ccc(CN2CC[C@H](C[NH3+])C2)cc1 ZINC000011891273 342844286 /nfs/dbraw/zinc/84/42/86/342844286.db2.gz RHENEKJMZAABBP-CYBMUJFWSA-N 1 3 204.317 1.776 50 0 BDAAHO CCN1CCN(Cc2ccc(C[NH3+])cc2)CC1 ZINC000021951886 343029197 /nfs/dbraw/zinc/02/91/97/343029197.db2.gz SAUDSDDZIRPWMO-UHFFFAOYSA-N 1 3 233.359 1.283 50 0 BDAAHO CN(CC[C@H]1CCCC[NH2+]1)CC1CCOCC1 ZINC000042783342 343452957 /nfs/dbraw/zinc/45/29/57/343452957.db2.gz GHWRNNMNOVUCDF-CQSZACIVSA-N 1 3 240.391 1.877 50 0 BDAAHO C[N@H+](CC[C@H]1CCCCN1)CC1CCOCC1 ZINC000042783342 343452960 /nfs/dbraw/zinc/45/29/60/343452960.db2.gz GHWRNNMNOVUCDF-CQSZACIVSA-N 1 3 240.391 1.877 50 0 BDAAHO C[N@@H+](CC[C@H]1CCCCN1)CC1CCOCC1 ZINC000042783342 343452962 /nfs/dbraw/zinc/45/29/62/343452962.db2.gz GHWRNNMNOVUCDF-CQSZACIVSA-N 1 3 240.391 1.877 50 0 BDAAHO N=C(NC(N)=[NH2+])Nc1cccc(Cl)c1 ZINC000015924305 181187714 /nfs/dbraw/zinc/18/77/14/181187714.db2.gz DIHXJZHAIHGSAW-UHFFFAOYSA-N 1 3 211.656 1.170 50 0 in-vitro BDAAHO CN(C)CC(C)(C)C[NH2+]C1CCN(C)CC1 ZINC000000181970 383840858 /nfs/dbraw/zinc/84/08/58/383840858.db2.gz NFLLYLNCPYLCOH-UHFFFAOYSA-N 1 3 227.396 1.258 50 0 BDAAHO [NH3+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000002884187 383990925 /nfs/dbraw/zinc/99/09/25/383990925.db2.gz FJHBXXSVOVHAEM-ZDUSSCGKSA-N 1 3 204.317 1.510 50 0 BDAAHO NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000002884187 383990929 /nfs/dbraw/zinc/99/09/29/383990929.db2.gz FJHBXXSVOVHAEM-ZDUSSCGKSA-N 1 3 204.317 1.510 50 0 BDAAHO NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000002884187 383990937 /nfs/dbraw/zinc/99/09/37/383990937.db2.gz FJHBXXSVOVHAEM-ZDUSSCGKSA-N 1 3 204.317 1.510 50 0 BDAAHO CN1CCN(CCCC[NH2+]C2CCC2)CC1 ZINC000097056994 173079897 /nfs/dbraw/zinc/07/98/97/173079897.db2.gz AKPUWNTVJDPLOB-UHFFFAOYSA-N 1 3 225.380 1.156 50 0 BDAAHO C[NH2+]CC1CCN(Cc2ccco2)CC1 ZINC000012370838 173338475 /nfs/dbraw/zinc/33/84/75/173338475.db2.gz LISJAFHYRUEIGV-UHFFFAOYSA-N 1 3 208.305 1.711 50 0 BDAAHO C[C@@H]1C[C@H](N(C)C(=O)CC(C)(C)[NH3+])CCN1C ZINC000237378410 488151773 /nfs/dbraw/zinc/15/17/73/488151773.db2.gz UUWIBNAAKXLHST-GHMZBOCLSA-N 1 3 241.379 1.055 50 0 BDAAHO CC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000036960309 535452969 /nfs/dbraw/zinc/45/29/69/535452969.db2.gz SZIYLERKSNSGON-UHFFFAOYSA-N 1 3 205.305 1.660 50 0 BDAAHO Cc1cc2c[nH]nc2cc1[C@H]1CNCC[C@@H]1[NH3+] ZINC000757214388 586440412 /nfs/dbraw/zinc/44/04/12/586440412.db2.gz SEBDDRRLCRPNDR-NEPJUHHUSA-N 1 3 230.315 1.276 50 0 BDAAHO Cc1cc2c[nH]nc2cc1[C@H]1C[NH2+]CC[C@@H]1N ZINC000757214388 586440413 /nfs/dbraw/zinc/44/04/13/586440413.db2.gz SEBDDRRLCRPNDR-NEPJUHHUSA-N 1 3 230.315 1.276 50 0 BDAAHO CC(C)C[N@@H+]1C[C@@]2(C)CNC[C@@](C)(C1)C2 ZINC000026442100 343105251 /nfs/dbraw/zinc/10/52/51/343105251.db2.gz JFVICDDTHSNTRJ-BETUJISGSA-N 1 3 210.365 1.964 50 0 biogenic BDAAHO CC(C)C[N@H+]1C[C@@]2(C)CNC[C@@](C)(C1)C2 ZINC000026442100 343105252 /nfs/dbraw/zinc/10/52/52/343105252.db2.gz JFVICDDTHSNTRJ-BETUJISGSA-N 1 3 210.365 1.964 50 0 biogenic BDAAHO CC(C)CN1C[C@@]2(C)C[NH2+]C[C@@](C)(C1)C2 ZINC000026442100 343105253 /nfs/dbraw/zinc/10/52/53/343105253.db2.gz JFVICDDTHSNTRJ-BETUJISGSA-N 1 3 210.365 1.964 50 0 biogenic BDAAHO C[C@@]1(C[NH3+])CCN(Cc2ccccc2)C1 ZINC000034255583 343267721 /nfs/dbraw/zinc/26/77/21/343267721.db2.gz HHSQLKWLJFVEAT-ZDUSSCGKSA-N 1 3 204.317 1.857 50 0 BDAAHO C[C@@]1(CN)CC[N@H+](Cc2ccccc2)C1 ZINC000034255583 343267722 /nfs/dbraw/zinc/26/77/22/343267722.db2.gz HHSQLKWLJFVEAT-ZDUSSCGKSA-N 1 3 204.317 1.857 50 0 BDAAHO C[C@@]1(CN)CC[N@@H+](Cc2ccccc2)C1 ZINC000034255583 343267724 /nfs/dbraw/zinc/26/77/24/343267724.db2.gz HHSQLKWLJFVEAT-ZDUSSCGKSA-N 1 3 204.317 1.857 50 0 BDAAHO CN1[C@H](c2ccccc2)[C@H](C[NH3+])C[C@@]1(C)CO ZINC000101006158 343399509 /nfs/dbraw/zinc/39/95/09/343399509.db2.gz KPPJHGVBDBRRCV-MJBXVCDLSA-N 1 3 234.343 1.389 50 0 BDAAHO C[N@@H+]1[C@H](c2ccccc2)[C@H](CN)C[C@@]1(C)CO ZINC000101006158 343399511 /nfs/dbraw/zinc/39/95/11/343399511.db2.gz KPPJHGVBDBRRCV-MJBXVCDLSA-N 1 3 234.343 1.389 50 0 BDAAHO C[N@H+]1[C@H](c2ccccc2)[C@H](CN)C[C@@]1(C)CO ZINC000101006158 343399512 /nfs/dbraw/zinc/39/95/12/343399512.db2.gz KPPJHGVBDBRRCV-MJBXVCDLSA-N 1 3 234.343 1.389 50 0 BDAAHO CN1CCC([NH2+][C@@H]2CCN3CCCC[C@H]23)CC1 ZINC000036996499 361591845 /nfs/dbraw/zinc/59/18/45/361591845.db2.gz KIFNVBDWODOUAK-ZIAGYGMSSA-N 1 3 237.391 1.297 50 0 BDAAHO c1cncc(CN2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000071751483 383899033 /nfs/dbraw/zinc/89/90/33/383899033.db2.gz XVKLBIHHYYUJMV-HNNXBMFYSA-N 1 3 245.370 1.903 50 0 BDAAHO N[C@@H](CC(=O)N1CCC[C@H]1C[NH3+])c1ccccc1 ZINC000237951332 384446106 /nfs/dbraw/zinc/44/61/06/384446106.db2.gz FVJRGVZTHWKIQJ-STQMWFEESA-N 1 3 247.342 1.026 50 0 BDAAHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCCc1ccccn1 ZINC000036907786 177370796 /nfs/dbraw/zinc/37/07/96/177370796.db2.gz LXSCDXAHRNDHAW-IPYPFGDCSA-N 1 3 247.386 1.942 50 0 BDAAHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCCc1ccccn1 ZINC000036907786 177370798 /nfs/dbraw/zinc/37/07/98/177370798.db2.gz LXSCDXAHRNDHAW-IPYPFGDCSA-N 1 3 247.386 1.942 50 0 BDAAHO Cc1cnn(CCCN2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])c1 ZINC000534649237 323158251 /nfs/dbraw/zinc/15/82/51/323158251.db2.gz GVPMIEXRAMAJHH-BTTYYORXSA-N 1 3 248.374 1.251 50 0 BDAAHO Cc1ccc2n[nH]cc2c1[C@@H]1CNC[C@@H]([NH3+])C1 ZINC000757213661 586439894 /nfs/dbraw/zinc/43/98/94/586439894.db2.gz QMJLECHKIBNFFM-UWVGGRQHSA-N 1 3 230.315 1.276 50 0 BDAAHO c1cn(CCCN2CCC[C@]3(CC[NH2+]C3)C2)cn1 ZINC001506421016 988777421 /nfs/dbraw/zinc/77/74/21/988777421.db2.gz DCLLYSBWIDWBLX-CQSZACIVSA-N 1 3 248.374 1.349 50 0 BDAAHO [NH3+][C@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000014007977 342875686 /nfs/dbraw/zinc/87/56/86/342875686.db2.gz AZKBNPLDOBTBBR-MCIONIFRSA-N 1 3 216.328 1.856 50 0 BDAAHO COc1ccc(CN2CCC(C[NH3+])CC2)cc1 ZINC000004342601 188102177 /nfs/dbraw/zinc/10/21/77/188102177.db2.gz ZHJBOQLHOJOBAN-UHFFFAOYSA-N 1 3 234.343 1.866 50 0 BDAAHO [NH3+]CCCNCCOCCOc1ccccc1 ZINC000002823909 181382119 /nfs/dbraw/zinc/38/21/19/181382119.db2.gz PWGUWMNICAVHJA-UHFFFAOYSA-N 1 3 238.331 1.020 50 0 BDAAHO c1ccc(CN2CC3(C2)CC2(C[NH2+]C2)C3)cc1 ZINC000096024437 368382381 /nfs/dbraw/zinc/38/23/81/368382381.db2.gz AXJXDTHNAQAFIF-UHFFFAOYSA-N 1 3 228.339 1.872 50 0 BDAAHO CN(C)C[C@H]1CCC[C@H](C[NH+](C)C)C1=O ZINC000000393561 383861546 /nfs/dbraw/zinc/86/15/46/383861546.db2.gz WFFCWXMFKGCIGF-GHMZBOCLSA-N 1 3 212.337 1.095 50 0 in-vitro BDAAHO Cc1nc(N)cc(NCCCC[NH+]2CCCC2)n1 ZINC000091860438 384151762 /nfs/dbraw/zinc/15/17/62/384151762.db2.gz RQMZWBGOTKLZEI-UHFFFAOYSA-N 1 3 249.362 1.655 50 0 BDAAHO CCC[C@H](N)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000262680873 384417040 /nfs/dbraw/zinc/41/70/40/384417040.db2.gz XGGPDQSXYNFCCM-UTUOFQBUSA-N 1 3 241.379 1.055 50 0 BDAAHO CCC[C@H](N)C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000262680873 384417044 /nfs/dbraw/zinc/41/70/44/384417044.db2.gz XGGPDQSXYNFCCM-UTUOFQBUSA-N 1 3 241.379 1.055 50 0 BDAAHO [NH3+]C[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000054954893 384862477 /nfs/dbraw/zinc/86/24/77/384862477.db2.gz BYNIUBOJBWXZCC-ZDUSSCGKSA-N 1 3 204.317 1.857 50 0 BDAAHO C[C@@H]([NH2+]CC[C@H]1CCCN1C)C1CCOCC1 ZINC000096492061 385230728 /nfs/dbraw/zinc/23/07/28/385230728.db2.gz MTVSZIOPBPOQPB-TZMCWYRMSA-N 1 3 240.391 1.875 50 0 BDAAHO CN1CCC2(CC1)C[C@@H]1C[C@H]3C=C[C@]1(C[NH2+]2)O3 ZINC000000377052 173002442 /nfs/dbraw/zinc/00/24/42/173002442.db2.gz IOXUZCGQDWCBPF-OUCADQQQSA-N 1 3 234.343 1.158 50 0 biogenic BDAAHO C[NH+]1CCC2(CC1)C[C@@H]1C[C@H]3C=C[C@]1(CN2)O3 ZINC000000377052 173002444 /nfs/dbraw/zinc/00/24/44/173002444.db2.gz IOXUZCGQDWCBPF-OUCADQQQSA-N 1 3 234.343 1.158 50 0 biogenic BDAAHO Cc1ccc2n[nH]cc2c1[C@@H]1C[NH2+]C[C@H](CN)C1 ZINC000757216147 586440799 /nfs/dbraw/zinc/44/07/99/586440799.db2.gz YBEQNHUUCFGELZ-QWRGUYRKSA-N 1 3 244.342 1.523 50 0 BDAAHO Cc1ccc2n[nH]cc2c1[C@@H]1CNC[C@H](C[NH3+])C1 ZINC000757216147 586440800 /nfs/dbraw/zinc/44/08/00/586440800.db2.gz YBEQNHUUCFGELZ-QWRGUYRKSA-N 1 3 244.342 1.523 50 0 BDAAHO Cc1cc2c[nH]nc2cc1[C@@H]1CC[C@H](C[NH3+])CN1 ZINC000757210018 643370152 /nfs/dbraw/zinc/37/01/52/643370152.db2.gz HCLMNDGTICJDNW-MFKMUULPSA-N 1 3 244.342 1.871 50 0 BDAAHO Cc1ccc(CN2CC[C@@H](C[NH3+])C2)cc1 ZINC000011891270 342844318 /nfs/dbraw/zinc/84/43/18/342844318.db2.gz RHENEKJMZAABBP-ZDUSSCGKSA-N 1 3 204.317 1.776 50 0 BDAAHO CC(C)[NH+]1CCC([C@@H]2NCCc3nc[nH]c32)CC1 ZINC000065371415 188129772 /nfs/dbraw/zinc/12/97/72/188129772.db2.gz LVPBCLBQWICIHC-ZDUSSCGKSA-N 1 3 248.374 1.717 50 0 BDAAHO CN1CCC([NH2+][C@H]2CCN3CCCC[C@H]23)CC1 ZINC000036996500 361591760 /nfs/dbraw/zinc/59/17/60/361591760.db2.gz KIFNVBDWODOUAK-UONOGXRCSA-N 1 3 237.391 1.297 50 0 BDAAHO CC(C)CN1CCC([NH2+]C[C@@H](C)CCO)CC1 ZINC000096478799 371498532 /nfs/dbraw/zinc/49/85/32/371498532.db2.gz YTPXAIGSIBBMHK-ZDUSSCGKSA-N 1 3 242.407 1.715 50 0 BDAAHO CCC[NH+]1CCC(N[C@@H](C)COC)CC1 ZINC000003683480 169189562 /nfs/dbraw/zinc/18/95/62/169189562.db2.gz NSXIIDDYXDGIDB-NSHDSACASA-N 1 3 214.353 1.485 50 0 BDAAHO c1ccc([C@@H]2C[C@H]2NC2CC[NH2+]CC2)cc1 ZINC000044675892 384351413 /nfs/dbraw/zinc/35/14/13/384351413.db2.gz BASFYRLYJAZPPL-UONOGXRCSA-N 1 3 216.328 1.884 50 0 in-vitro BDAAHO c1ccc([C@@H]2C[C@H]2[NH2+]C2CCNCC2)cc1 ZINC000044675892 384351418 /nfs/dbraw/zinc/35/14/18/384351418.db2.gz BASFYRLYJAZPPL-UONOGXRCSA-N 1 3 216.328 1.884 50 0 in-vitro BDAAHO OCC1([NH2+]C2CCN(c3ccncc3)CC2)CC1 ZINC000142984551 384713283 /nfs/dbraw/zinc/71/32/83/384713283.db2.gz PQYNBELSUDKGGR-UHFFFAOYSA-N 1 3 247.342 1.165 50 0 BDAAHO c1ccc(OCC[NH2+]C2CCNCC2)cc1 ZINC000034566418 385284844 /nfs/dbraw/zinc/28/48/44/385284844.db2.gz VVPXXCZQUVGKCW-UHFFFAOYSA-N 1 3 220.316 1.407 50 0 BDAAHO Cc1ccc([O-])c(C[NH+]2CCC([C@H](C)[NH3+])CC2)n1 ZINC000091996122 398120279 /nfs/dbraw/zinc/12/02/79/398120279.db2.gz RBEGOPUINFJNEL-NSHDSACASA-N 1 3 249.358 1.655 50 0 BDAAHO CN1[C@H](c2ccccc2)[C@@H](C[NH3+])C[C@@]1(C)CO ZINC000012336751 173204999 /nfs/dbraw/zinc/20/49/99/173204999.db2.gz KPPJHGVBDBRRCV-MCIONIFRSA-N 1 3 234.343 1.389 50 0 BDAAHO C[N@@H+]1[C@H](c2ccccc2)[C@@H](CN)C[C@@]1(C)CO ZINC000012336751 173205002 /nfs/dbraw/zinc/20/50/02/173205002.db2.gz KPPJHGVBDBRRCV-MCIONIFRSA-N 1 3 234.343 1.389 50 0 BDAAHO C[N@H+]1[C@H](c2ccccc2)[C@@H](CN)C[C@@]1(C)CO ZINC000012336751 173205005 /nfs/dbraw/zinc/20/50/05/173205005.db2.gz KPPJHGVBDBRRCV-MCIONIFRSA-N 1 3 234.343 1.389 50 0 BDAAHO CCSC[C@H](C)[NH2+]CC1(O)CCN(C)CC1 ZINC000670450629 487500212 /nfs/dbraw/zinc/50/02/12/487500212.db2.gz AOUSWDNRUDTJIG-NSHDSACASA-N 1 3 246.420 1.174 50 0 BDAAHO O=C(NNc1ccncc1)NNc1cc[nH+]cc1 ZINC000072332473 490397642 /nfs/dbraw/zinc/39/76/42/490397642.db2.gz NHBXNYBTUHFMRK-UHFFFAOYSA-N 1 3 244.258 1.130 50 0 BDAAHO Cc1cc2c[nH]nc2cc1[C@@H]1CNC[C@@H](C[NH3+])C1 ZINC000757207454 582559692 /nfs/dbraw/zinc/55/96/92/582559692.db2.gz BFHFLCYJVCBITP-MNOVXSKESA-N 1 3 244.342 1.523 50 0 BDAAHO Cc1cc2c[nH]nc2cc1[C@@H]1C[NH2+]C[C@@H](CN)C1 ZINC000757207454 582559694 /nfs/dbraw/zinc/55/96/94/582559694.db2.gz BFHFLCYJVCBITP-MNOVXSKESA-N 1 3 244.342 1.523 50 0 BDAAHO Cc1cc2c[nH]nc2cc1[C@H]1CNC[C@H](C[NH3+])C1 ZINC000757207459 582560189 /nfs/dbraw/zinc/56/01/89/582560189.db2.gz BFHFLCYJVCBITP-WDEREUQCSA-N 1 3 244.342 1.523 50 0 BDAAHO Cc1cc2c[nH]nc2cc1[C@H]1C[NH2+]C[C@H](CN)C1 ZINC000757207459 582560190 /nfs/dbraw/zinc/56/01/90/582560190.db2.gz BFHFLCYJVCBITP-WDEREUQCSA-N 1 3 244.342 1.523 50 0 BDAAHO Cc1ccc2n[nH]cc2c1[C@H]1CCN[C@@H](C[NH3+])C1 ZINC000757210058 586438485 /nfs/dbraw/zinc/43/84/85/586438485.db2.gz HTIRUOIHYRTFRP-WDEREUQCSA-N 1 3 244.342 1.666 50 0 BDAAHO Cc1cc2c[nH]nc2cc1[C@@H]1C[NH2+]C[C@H](N)C1 ZINC000757212165 586439023 /nfs/dbraw/zinc/43/90/23/586439023.db2.gz MFRPPDOBECEYQN-GXSJLCMTSA-N 1 3 230.315 1.276 50 0 BDAAHO Cc1cc2c[nH]nc2cc1[C@@H]1CNC[C@H]([NH3+])C1 ZINC000757212165 586439024 /nfs/dbraw/zinc/43/90/24/586439024.db2.gz MFRPPDOBECEYQN-GXSJLCMTSA-N 1 3 230.315 1.276 50 0 BDAAHO Cc1cc2c[nH]nc2cc1[C@H]1CC[C@@H](C[NH3+])NC1 ZINC000757213857 712583174 /nfs/dbraw/zinc/58/31/74/712583174.db2.gz RHINYONIMYGJGS-JQWIXIFHSA-N 1 3 244.342 1.666 50 0 BDAAHO Cc1cc(NCC[NH3+])c2ccccc2n1 ZINC000004129629 178162308 /nfs/dbraw/zinc/16/23/08/178162308.db2.gz JDSBUPUXYPOCOV-UHFFFAOYSA-N 1 3 201.273 1.914 50 0 BDAAHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000014007974 342875636 /nfs/dbraw/zinc/87/56/36/342875636.db2.gz AZKBNPLDOBTBBR-MGPQQGTHSA-N 1 3 216.328 1.856 50 0 BDAAHO C(C1CCC1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000072131865 191004814 /nfs/dbraw/zinc/00/48/14/191004814.db2.gz RJXJTEJXCKHOPE-CYBMUJFWSA-N 1 3 208.349 1.862 50 0 BDAAHO Fc1cnccc1CN1CCC2(C1)CC[NH2+]CC2 ZINC000067908579 181020878 /nfs/dbraw/zinc/02/08/78/181020878.db2.gz NIMYRMKYSIJNKD-UHFFFAOYSA-N 1 3 249.333 1.796 50 0 BDAAHO [NH3+]CCC1(O)CCN(Cc2ccccc2)CC1 ZINC000098180077 181370617 /nfs/dbraw/zinc/37/06/17/181370617.db2.gz LAXOSLOZUNLMBZ-UHFFFAOYSA-N 1 3 234.343 1.362 50 0 BDAAHO NC[C@H](Cc1ccccc1)C[NH+]1CCCC1 ZINC000011800147 384296802 /nfs/dbraw/zinc/29/68/02/384296802.db2.gz DIKWQIMBHCYMCJ-AWEZNQCLSA-N 1 3 218.344 1.900 50 0 BDAAHO [NH3+]CCOc1ccccc1CN1CCCC1 ZINC000016941975 384472805 /nfs/dbraw/zinc/47/28/05/384472805.db2.gz UPXRCTBBERDIOR-UHFFFAOYSA-N 1 3 220.316 1.620 50 0 BDAAHO CC(C)N1CC2C[NH+](C(C)C)CC(C1)C2=O ZINC000020247129 384604135 /nfs/dbraw/zinc/60/41/35/384604135.db2.gz YGTKXITWJVCHQV-UHFFFAOYSA-N 1 3 224.348 1.236 50 0 BDAAHO NC[C@@H](C[NH+]1CCCC1)[C@@H](O)c1ccccc1 ZINC000020283097 384610838 /nfs/dbraw/zinc/61/08/38/384610838.db2.gz UZWVWBHOYQMCCA-KBPBESRZSA-N 1 3 234.343 1.391 50 0 BDAAHO [NH3+]C[C@@H](CN1CCCC1)[C@@H](O)c1ccccc1 ZINC000020283097 384610843 /nfs/dbraw/zinc/61/08/43/384610843.db2.gz UZWVWBHOYQMCCA-KBPBESRZSA-N 1 3 234.343 1.391 50 0 BDAAHO Cn1cncc1CNCCC1CC[NH+](C)CC1 ZINC000105454136 387933157 /nfs/dbraw/zinc/93/31/57/387933157.db2.gz GSSCINYURSPMRG-UHFFFAOYSA-N 1 3 236.363 1.242 50 0 BDAAHO CCC[C@H](N)C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000236790398 388595556 /nfs/dbraw/zinc/59/55/56/388595556.db2.gz XGGPDQSXYNFCCM-SRVKXCTJSA-N 1 3 241.379 1.055 50 0 BDAAHO CCC[C@H](N)C(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000236790398 388595560 /nfs/dbraw/zinc/59/55/60/388595560.db2.gz XGGPDQSXYNFCCM-SRVKXCTJSA-N 1 3 241.379 1.055 50 0 BDAAHO CCC[C@H](N)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000236789074 388596154 /nfs/dbraw/zinc/59/61/54/388596154.db2.gz XGGPDQSXYNFCCM-TUAOUCFPSA-N 1 3 241.379 1.055 50 0 BDAAHO CCC[C@H](N)C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000236789074 388596156 /nfs/dbraw/zinc/59/61/56/388596156.db2.gz XGGPDQSXYNFCCM-TUAOUCFPSA-N 1 3 241.379 1.055 50 0 BDAAHO [NH3+]C[C@H]1CCCN(CCc2ccccc2)C1 ZINC000004384302 397925431 /nfs/dbraw/zinc/92/54/31/397925431.db2.gz UWOLTVQMHDWUBB-CQSZACIVSA-N 1 3 218.344 1.900 50 0 BDAAHO NC[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000004384302 397925435 /nfs/dbraw/zinc/92/54/35/397925435.db2.gz UWOLTVQMHDWUBB-CQSZACIVSA-N 1 3 218.344 1.900 50 0 BDAAHO NC[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000004384302 397925439 /nfs/dbraw/zinc/92/54/39/397925439.db2.gz UWOLTVQMHDWUBB-CQSZACIVSA-N 1 3 218.344 1.900 50 0 BDAAHO CC(C)[C@@H](C)[NH2+]CCCCN1CCN(C)CC1 ZINC000095420254 167379919 /nfs/dbraw/zinc/37/99/19/167379919.db2.gz VWTMHHSJAYPOSU-CQSZACIVSA-N 1 3 241.423 1.648 50 0 BDAAHO CCn1cc(CN2CCC(C[NH3+])CC2)cn1 ZINC000012357864 172163402 /nfs/dbraw/zinc/16/34/02/172163402.db2.gz XGRHQSKVJDZEPR-UHFFFAOYSA-N 1 3 222.336 1.074 50 0 BDAAHO COCCC1(C[NH+]2CCC(N)CC2)CCC1 ZINC000097095583 174154459 /nfs/dbraw/zinc/15/44/59/174154459.db2.gz HFSZRDCDWVUILS-UHFFFAOYSA-N 1 3 226.364 1.616 50 0 BDAAHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]CCCN(C)C ZINC000033748266 176277907 /nfs/dbraw/zinc/27/79/07/176277907.db2.gz ZFMHJCHHDNGZAM-UPJWGTAASA-N 1 3 227.396 1.256 50 0 BDAAHO Cc1ccc(CNCCNc2cc[nH+]cc2C)o1 ZINC000952970590 644446541 /nfs/dbraw/zinc/44/65/41/644446541.db2.gz CMYWOONCHPDDCP-UHFFFAOYSA-N 1 3 245.326 1.915 50 0 BDAAHO N=C(NC(N)=[NH2+])Nc1cccc2ccccc21 ZINC000000146429 181189225 /nfs/dbraw/zinc/18/92/25/181189225.db2.gz UUBZPMKBMHXGNE-UHFFFAOYSA-N 1 3 227.271 1.670 50 0 BDAAHO N=C(N)NC(=[NH2+])Nc1cccc2ccccc21 ZINC000000146429 181189227 /nfs/dbraw/zinc/18/92/27/181189227.db2.gz UUBZPMKBMHXGNE-UHFFFAOYSA-N 1 3 227.271 1.670 50 0 BDAAHO NC(=[NH2+])N1CCCN(Cc2ccccc2)CC1 ZINC000081947185 181187963 /nfs/dbraw/zinc/18/79/63/181187963.db2.gz MEJIWJKUZRWOQX-UHFFFAOYSA-N 1 3 232.331 1.088 50 0 BDAAHO C[C@@H]1C[C@H](N[C@H]2CC[N@@H+]3CCCC[C@H]23)CN1C ZINC000252120090 541445302 /nfs/dbraw/zinc/44/53/02/541445302.db2.gz KSFQVCUTJFMEDY-ZOBORPQBSA-N 1 3 237.391 1.295 50 0 BDAAHO C[C@@H]1C[C@H](N[C@H]2CC[N@H+]3CCCC[C@H]23)CN1C ZINC000252120090 541445304 /nfs/dbraw/zinc/44/53/04/541445304.db2.gz KSFQVCUTJFMEDY-ZOBORPQBSA-N 1 3 237.391 1.295 50 0 BDAAHO NCC[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC000022935998 181391499 /nfs/dbraw/zinc/39/14/99/181391499.db2.gz LDLWTHMIKGPNCU-ZDUSSCGKSA-N 1 3 204.317 1.825 50 0 BDAAHO NCC[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC000022935998 181391501 /nfs/dbraw/zinc/39/15/01/181391501.db2.gz LDLWTHMIKGPNCU-ZDUSSCGKSA-N 1 3 204.317 1.825 50 0 BDAAHO CCCN1CCC([N@@H+]2CCCN(C)CC2)CC1 ZINC000032519437 169186630 /nfs/dbraw/zinc/18/66/30/169186630.db2.gz ONABYPVNVGKVCP-UHFFFAOYSA-N 1 3 239.407 1.498 50 0 BDAAHO CCCN1CCC([N@H+]2CCCN(C)CC2)CC1 ZINC000032519437 169186632 /nfs/dbraw/zinc/18/66/32/169186632.db2.gz ONABYPVNVGKVCP-UHFFFAOYSA-N 1 3 239.407 1.498 50 0 BDAAHO CCC[NH+]1CCC(NC[C@H]2CCCO2)CC1 ZINC000000182427 169188767 /nfs/dbraw/zinc/18/87/67/169188767.db2.gz XIBIFYYATXSUCM-CYBMUJFWSA-N 1 3 226.364 1.629 50 0 BDAAHO c1ccc(CCC[N@@H+]2CCCNCC2)cc1 ZINC000023093602 384788054 /nfs/dbraw/zinc/78/80/54/384788054.db2.gz QUITYRPYRQXLRN-UHFFFAOYSA-N 1 3 218.344 1.915 50 0 BDAAHO c1ccc(CCC[N@H+]2CCCNCC2)cc1 ZINC000023093602 384788059 /nfs/dbraw/zinc/78/80/59/384788059.db2.gz QUITYRPYRQXLRN-UHFFFAOYSA-N 1 3 218.344 1.915 50 0 BDAAHO [NH3+]C[C@H]1CCCN(Cc2ccccc2)C1 ZINC000054954891 384861201 /nfs/dbraw/zinc/86/12/01/384861201.db2.gz BYNIUBOJBWXZCC-CYBMUJFWSA-N 1 3 204.317 1.857 50 0 BDAAHO CCSC[C@H]1CCC[N@@H+]1C1CCNCC1 ZINC000169725136 385416987 /nfs/dbraw/zinc/41/69/87/385416987.db2.gz LYMRHSYPVDLGPY-GFCCVEGCSA-N 1 3 228.405 1.956 50 0 BDAAHO CCSC[C@H]1CCC[N@H+]1C1CCNCC1 ZINC000169725136 385416988 /nfs/dbraw/zinc/41/69/88/385416988.db2.gz LYMRHSYPVDLGPY-GFCCVEGCSA-N 1 3 228.405 1.956 50 0 BDAAHO CCSC[C@H]1CCCN1C1CC[NH2+]CC1 ZINC000169725136 385416990 /nfs/dbraw/zinc/41/69/90/385416990.db2.gz LYMRHSYPVDLGPY-GFCCVEGCSA-N 1 3 228.405 1.956 50 0 BDAAHO c1cc(N2CCN(C[C@@H]3CCOC3)CC2)cc[nH+]1 ZINC000089884963 388369766 /nfs/dbraw/zinc/36/97/66/388369766.db2.gz LUVTWYLMBAVPLR-ZDUSSCGKSA-N 1 3 247.342 1.240 50 0 BDAAHO Cc1ccccc1N1C(=N)NC(=[NH2+])NC1(C)C ZINC000017039322 132324126 /nfs/dbraw/zinc/32/41/26/132324126.db2.gz BTFOXUFGUUCOKN-UHFFFAOYSA-N 1 3 231.303 1.181 50 0 BDAAHO Cc1ccccc1N1C(=[NH2+])NC(=N)NC1(C)C ZINC000017039322 132324128 /nfs/dbraw/zinc/32/41/28/132324128.db2.gz BTFOXUFGUUCOKN-UHFFFAOYSA-N 1 3 231.303 1.181 50 0 BDAAHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCCSC1 ZINC000252979861 135118756 /nfs/dbraw/zinc/11/87/56/135118756.db2.gz JTTOFOMDXGVESR-SRVKXCTJSA-N 1 3 228.405 1.989 50 0 BDAAHO CCOCCCN1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000049709327 170375132 /nfs/dbraw/zinc/37/51/32/170375132.db2.gz AMSJCLFYWQBSTK-GHMZBOCLSA-N 1 3 200.326 1.082 50 0 BDAAHO COCCN1CCC(C[NH+]2CCCC2)CC1 ZINC000047968121 174304769 /nfs/dbraw/zinc/30/47/69/174304769.db2.gz VBXFMFVMEWEQOB-UHFFFAOYSA-N 1 3 226.364 1.441 50 0 BDAAHO Cc1ccc2n[nH]cc2c1[C@@H]1C[NH2+]C[C@@H](CN)C1 ZINC000757216144 582562152 /nfs/dbraw/zinc/56/21/52/582562152.db2.gz YBEQNHUUCFGELZ-MNOVXSKESA-N 1 3 244.342 1.523 50 0 BDAAHO Cc1ccc2n[nH]cc2c1[C@@H]1CNC[C@@H](C[NH3+])C1 ZINC000757216144 582562155 /nfs/dbraw/zinc/56/21/55/582562155.db2.gz YBEQNHUUCFGELZ-MNOVXSKESA-N 1 3 244.342 1.523 50 0 BDAAHO Cc1ccc2n[nH]cc2c1[C@H]1CCNC[C@H]1[NH3+] ZINC000757213839 712583187 /nfs/dbraw/zinc/58/31/87/712583187.db2.gz RHBKAVMFHZSMQX-GXSJLCMTSA-N 1 3 230.315 1.276 50 0 BDAAHO C[NH+]1CCC(NCc2ccccc2)CC1 ZINC000006645104 342780440 /nfs/dbraw/zinc/78/04/40/342780440.db2.gz RCMXNLSUDHVDJU-UHFFFAOYSA-N 1 3 204.317 1.870 50 0 BDAAHO C[C@H]([NH3+])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000034180705 343265979 /nfs/dbraw/zinc/26/59/79/343265979.db2.gz MVLOUNCMDFCYHO-WCQYABFASA-N 1 3 204.317 1.856 50 0 BDAAHO Cc1ccc(CN2CCC(C[NH3+])CC2)o1 ZINC000038534330 343376573 /nfs/dbraw/zinc/37/65/73/343376573.db2.gz OBJSAEJPLYPHSE-UHFFFAOYSA-N 1 3 208.305 1.759 50 0 BDAAHO Cc1cccc(NC(=N)NC(N)=[NH2+])c1C ZINC000020286643 188176634 /nfs/dbraw/zinc/17/66/34/188176634.db2.gz QPUAWEXLLDSJBV-UHFFFAOYSA-N 1 3 205.265 1.133 50 0 BDAAHO Cc1cccc(NC(=[NH2+])NC(=N)N)c1C ZINC000020286643 188176635 /nfs/dbraw/zinc/17/66/35/188176635.db2.gz QPUAWEXLLDSJBV-UHFFFAOYSA-N 1 3 205.265 1.133 50 0 BDAAHO [NH3+]CCCN1CC[C@H](c2ccccc2)C1 ZINC000008737716 181380722 /nfs/dbraw/zinc/38/07/22/181380722.db2.gz ZVWBNKZIXYWKTC-ZDUSSCGKSA-N 1 3 204.317 1.825 50 0 BDAAHO NCCC[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000008737716 181380724 /nfs/dbraw/zinc/38/07/24/181380724.db2.gz ZVWBNKZIXYWKTC-ZDUSSCGKSA-N 1 3 204.317 1.825 50 0 BDAAHO NCCC[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000008737716 181380727 /nfs/dbraw/zinc/38/07/27/181380727.db2.gz ZVWBNKZIXYWKTC-ZDUSSCGKSA-N 1 3 204.317 1.825 50 0 BDAAHO CCC[NH+]1CCC(NC[C@@H]2CCCO2)CC1 ZINC000000182430 169188636 /nfs/dbraw/zinc/18/86/36/169188636.db2.gz XIBIFYYATXSUCM-ZDUSSCGKSA-N 1 3 226.364 1.629 50 0 BDAAHO C(CN1CCCCC1)OC1CC[NH2+]CC1 ZINC000036963146 383925065 /nfs/dbraw/zinc/92/50/65/383925065.db2.gz NYGBPVDKVYYBRE-UHFFFAOYSA-N 1 3 212.337 1.241 50 0 BDAAHO Cc1cc(CN2CCC3(CC[N@@H+](C)C3)CC2)n[nH]1 ZINC000065464242 385315540 /nfs/dbraw/zinc/31/55/40/385315540.db2.gz QFUPWYQENRANJX-UHFFFAOYSA-N 1 3 248.374 1.636 50 0 BDAAHO Cc1cc(CN2CCC3(CC[N@H+](C)C3)CC2)n[nH]1 ZINC000065464242 385315542 /nfs/dbraw/zinc/31/55/42/385315542.db2.gz QFUPWYQENRANJX-UHFFFAOYSA-N 1 3 248.374 1.636 50 0 BDAAHO CCSC[C@@H]1CCC[N@@H+]1C1CCNCC1 ZINC000169725135 385417524 /nfs/dbraw/zinc/41/75/24/385417524.db2.gz LYMRHSYPVDLGPY-LBPRGKRZSA-N 1 3 228.405 1.956 50 0 BDAAHO CCSC[C@@H]1CCC[N@H+]1C1CCNCC1 ZINC000169725135 385417527 /nfs/dbraw/zinc/41/75/27/385417527.db2.gz LYMRHSYPVDLGPY-LBPRGKRZSA-N 1 3 228.405 1.956 50 0 BDAAHO CCSC[C@@H]1CCCN1C1CC[NH2+]CC1 ZINC000169725135 385417529 /nfs/dbraw/zinc/41/75/29/385417529.db2.gz LYMRHSYPVDLGPY-LBPRGKRZSA-N 1 3 228.405 1.956 50 0 BDAAHO CN(C)CCCNC(=[NH2+])Nc1ccccc1 ZINC000052046941 387423163 /nfs/dbraw/zinc/42/31/63/387423163.db2.gz FRVDTNLHVUBEEO-UHFFFAOYSA-N 1 3 220.320 1.575 50 0 BDAAHO CN1CCC[C@@H]1CC[NH2+][C@@H]1CCSC1 ZINC000023279923 173028479 /nfs/dbraw/zinc/02/84/79/173028479.db2.gz DRHJDVZKNVDIRZ-GHMZBOCLSA-N 1 3 214.378 1.566 50 0 BDAAHO C[N@@H+]1CCC[C@@H]1CCN[C@@H]1CCSC1 ZINC000023279923 173028481 /nfs/dbraw/zinc/02/84/81/173028481.db2.gz DRHJDVZKNVDIRZ-GHMZBOCLSA-N 1 3 214.378 1.566 50 0 BDAAHO C[N@H+]1CCC[C@@H]1CCN[C@@H]1CCSC1 ZINC000023279923 173028484 /nfs/dbraw/zinc/02/84/84/173028484.db2.gz DRHJDVZKNVDIRZ-GHMZBOCLSA-N 1 3 214.378 1.566 50 0 BDAAHO C[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000012370455 173389136 /nfs/dbraw/zinc/38/91/36/173389136.db2.gz QNDNYVSDXRFJJW-UHFFFAOYSA-N 1 3 208.305 1.346 50 0 BDAAHO COCCN[C@H]1CCC[N@H+](CC2CC2)CC1 ZINC000096669769 174340286 /nfs/dbraw/zinc/34/02/86/174340286.db2.gz QJJQGUVAFHVGCW-ZDUSSCGKSA-N 1 3 226.364 1.487 50 0 BDAAHO COCCN[C@H]1CCC[N@@H+](CC2CC2)CC1 ZINC000096669769 174340288 /nfs/dbraw/zinc/34/02/88/174340288.db2.gz QJJQGUVAFHVGCW-ZDUSSCGKSA-N 1 3 226.364 1.487 50 0 BDAAHO COCC[NH2+][C@H]1CCCN(CC2CC2)CC1 ZINC000096669769 174340290 /nfs/dbraw/zinc/34/02/90/174340290.db2.gz QJJQGUVAFHVGCW-ZDUSSCGKSA-N 1 3 226.364 1.487 50 0 BDAAHO C[C@H]1CN(CC2CC[NH2+]CC2)C[C@H](C)O1 ZINC000021948839 177247130 /nfs/dbraw/zinc/24/71/30/177247130.db2.gz SXCAMRDUPBADFT-QWRGUYRKSA-N 1 3 212.337 1.095 50 0 BDAAHO C[C@H]1C[C@H](N(C)C(=O)CC(C)(C)[NH3+])CCN1C ZINC000237582858 487486724 /nfs/dbraw/zinc/48/67/24/487486724.db2.gz UUWIBNAAKXLHST-WDEREUQCSA-N 1 3 241.379 1.055 50 0 BDAAHO Cc1cc2c[nH]nc2cc1[C@@H]1[NH2+]C[C@H](N)C[C@@H]1C ZINC000757209066 586437727 /nfs/dbraw/zinc/43/77/27/586437727.db2.gz FOMAYWCETVDHGL-DRCTWCGVSA-N 1 3 244.342 1.869 50 0 BDAAHO Cc1ccc2n[nH]cc2c1[C@@H]1CC[C@H](N)C[NH2+]1 ZINC000757209916 586438276 /nfs/dbraw/zinc/43/82/76/586438276.db2.gz GQLVZCFAUGOOJK-CABZTGNLSA-N 1 3 230.315 1.623 50 0 BDAAHO CC[N@@H+]1CCC[C@H]1CNc1cc(CN)nc(C)n1 ZINC000067739807 636781451 /nfs/dbraw/zinc/78/14/51/636781451.db2.gz WVKUJRGFMPCNHO-LBPRGKRZSA-N 1 3 249.362 1.140 50 0 BDAAHO CC[N@H+]1CCC[C@H]1CNc1cc(CN)nc(C)n1 ZINC000067739807 636781456 /nfs/dbraw/zinc/78/14/56/636781456.db2.gz WVKUJRGFMPCNHO-LBPRGKRZSA-N 1 3 249.362 1.140 50 0 BDAAHO Cc1cc2c[nH]nc2cc1[C@H]1CC[C@H](C[NH3+])NC1 ZINC000757213854 712583094 /nfs/dbraw/zinc/58/30/94/712583094.db2.gz RHINYONIMYGJGS-CMPLNLGQSA-N 1 3 244.342 1.666 50 0 BDAAHO NC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCSC1 ZINC000220665491 491110106 /nfs/dbraw/zinc/11/01/06/491110106.db2.gz JTTOFOMDXGVESR-QJPTWQEYSA-N 1 3 228.405 1.989 50 0 BDAAHO N[C@@H](CC(=O)N1CCC[C@@H]1C[NH3+])c1ccccc1 ZINC000238038581 384470012 /nfs/dbraw/zinc/47/00/12/384470012.db2.gz FVJRGVZTHWKIQJ-OLZOCXBDSA-N 1 3 247.342 1.026 50 0 BDAAHO NC[C@H](C[NH+]1CCCC1)[C@H](O)c1ccccc1 ZINC000020283108 384609658 /nfs/dbraw/zinc/60/96/58/384609658.db2.gz UZWVWBHOYQMCCA-ZIAGYGMSSA-N 1 3 234.343 1.391 50 0 BDAAHO [NH3+]C[C@H](CN1CCCC1)[C@H](O)c1ccccc1 ZINC000020283108 384609668 /nfs/dbraw/zinc/60/96/68/384609668.db2.gz UZWVWBHOYQMCCA-ZIAGYGMSSA-N 1 3 234.343 1.391 50 0 BDAAHO COCCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000089410232 387378920 /nfs/dbraw/zinc/37/89/20/387378920.db2.gz OIOFQJSXEQQZER-UHFFFAOYSA-N 1 3 249.358 1.630 50 0 BDAAHO CCOCCCN1CC[C@H]([NH3+])[C@H](C)C1 ZINC000049709325 170375022 /nfs/dbraw/zinc/37/50/22/170375022.db2.gz AMSJCLFYWQBSTK-MNOVXSKESA-N 1 3 200.326 1.082 50 0 BDAAHO C[C@@H]1CCNCC[N@@H+]1Cc1ccccc1 ZINC000062569212 176185494 /nfs/dbraw/zinc/18/54/94/176185494.db2.gz RGKDAJPPEVSFBH-GFCCVEGCSA-N 1 3 204.317 1.870 50 0 BDAAHO C[C@@H]1CCNCC[N@H+]1Cc1ccccc1 ZINC000062569212 176185495 /nfs/dbraw/zinc/18/54/95/176185495.db2.gz RGKDAJPPEVSFBH-GFCCVEGCSA-N 1 3 204.317 1.870 50 0 BDAAHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH3+] ZINC000078416704 177266462 /nfs/dbraw/zinc/26/64/62/177266462.db2.gz MGTFEKWKCLDVNN-WCQYABFASA-N 1 3 204.317 1.856 50 0 BDAAHO C[C@H]1C[C@@H](N(C)C(=O)CC(C)(C)[NH3+])CCN1C ZINC000237638623 487497340 /nfs/dbraw/zinc/49/73/40/487497340.db2.gz UUWIBNAAKXLHST-QWRGUYRKSA-N 1 3 241.379 1.055 50 0 BDAAHO Cc1ccc2n[nH]cc2c1[C@@H]1[NH2+]C[C@H](N)C[C@H]1C ZINC000757208749 586437738 /nfs/dbraw/zinc/43/77/38/586437738.db2.gz DAXRXQLVNFBKKN-GPCCPHFNSA-N 1 3 244.342 1.869 50 0 BDAAHO Cc1ccc2n[nH]cc2c1[C@H]1CC[C@@H](N)C[NH2+]1 ZINC000757209914 586438518 /nfs/dbraw/zinc/43/85/18/586438518.db2.gz GQLVZCFAUGOOJK-BXKDBHETSA-N 1 3 230.315 1.623 50 0 BDAAHO Cc1cc2c[nH]nc2cc1[C@H]1C[NH2+]C[C@@H](N)C1 ZINC000757212166 586439127 /nfs/dbraw/zinc/43/91/27/586439127.db2.gz MFRPPDOBECEYQN-KOLCDFICSA-N 1 3 230.315 1.276 50 0 BDAAHO Cc1cc2c[nH]nc2cc1[C@H]1CNC[C@@H]([NH3+])C1 ZINC000757212166 586439128 /nfs/dbraw/zinc/43/91/28/586439128.db2.gz MFRPPDOBECEYQN-KOLCDFICSA-N 1 3 230.315 1.276 50 0 BDAAHO Cc1ccc2n[nH]cc2c1[C@@H]1NCCC[C@@H]1C[NH3+] ZINC000757213232 586439161 /nfs/dbraw/zinc/43/91/61/586439161.db2.gz PFBKXYHDNJXBJG-QMTHXVAHSA-N 1 3 244.342 1.871 50 0 BDAAHO CCN1CCC([NH2+]CC(C)(C)CN(C)C)CC1 ZINC000003683464 342736572 /nfs/dbraw/zinc/73/65/72/342736572.db2.gz JVOFYYDGNAVMGU-UHFFFAOYSA-N 1 3 241.423 1.648 50 0 BDAAHO CSc1ccc(NC(=N)NC(N)=[NH2+])cc1 ZINC000095918032 188365291 /nfs/dbraw/zinc/36/52/91/188365291.db2.gz LBANSXIGKWQVAI-UHFFFAOYSA-N 1 3 223.305 1.238 50 0 BDAAHO NC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000033994464 181189305 /nfs/dbraw/zinc/18/93/05/181189305.db2.gz MSZVBZJWLZLDBM-UHFFFAOYSA-N 1 3 232.331 1.134 50 0 BDAAHO [NH3+]CC1CCN(Cc2ccccc2F)CC1 ZINC000011889000 181365403 /nfs/dbraw/zinc/36/54/03/181365403.db2.gz XLZQDRZYOJNNLZ-UHFFFAOYSA-N 1 3 222.307 1.996 50 0 BDAAHO CCC[NH+]1CCC(N(C)CCN(C)C)CC1 ZINC000019635852 169187420 /nfs/dbraw/zinc/18/74/20/169187420.db2.gz HVZGGIOKVNVIEZ-UHFFFAOYSA-N 1 3 227.396 1.354 50 0 BDAAHO c1ccc(CC[N@@H+]2CCCNCC2)cc1 ZINC000020135908 183392143 /nfs/dbraw/zinc/39/21/43/183392143.db2.gz KWDPAPUJVTXSDX-UHFFFAOYSA-N 1 3 204.317 1.524 50 0 BDAAHO c1ccc(CC[N@H+]2CCCNCC2)cc1 ZINC000020135908 183392146 /nfs/dbraw/zinc/39/21/46/183392146.db2.gz KWDPAPUJVTXSDX-UHFFFAOYSA-N 1 3 204.317 1.524 50 0 BDAAHO c1coc(CCC[NH2+]C2CCNCC2)c1 ZINC000067805917 383949266 /nfs/dbraw/zinc/94/92/66/383949266.db2.gz PBPOXBVIHWOHCO-UHFFFAOYSA-N 1 3 208.305 1.554 50 0 BDAAHO c1coc(CCCNC2CC[NH2+]CC2)c1 ZINC000067805917 383949276 /nfs/dbraw/zinc/94/92/76/383949276.db2.gz PBPOXBVIHWOHCO-UHFFFAOYSA-N 1 3 208.305 1.554 50 0 BDAAHO c1ccc(C[n+]2ccc(C3=NCCN3)cc2)cc1 ZINC000002166186 383953037 /nfs/dbraw/zinc/95/30/37/383953037.db2.gz CGYAJLZTEBKJHH-UHFFFAOYSA-N 1 3 238.314 1.372 50 0 BDAAHO C[NH2+][C@@H]1CCCC[C@H]1N(C)C1CCN(C)CC1 ZINC000043815241 384304262 /nfs/dbraw/zinc/30/42/62/384304262.db2.gz SQXROZHTTFVFOL-ZIAGYGMSSA-N 1 3 239.407 1.543 50 0 BDAAHO N[C@H](CC(=O)N1CCC[C@H]1C[NH3+])c1ccccc1 ZINC000237950886 384446016 /nfs/dbraw/zinc/44/60/16/384446016.db2.gz FVJRGVZTHWKIQJ-QWHCGFSZSA-N 1 3 247.342 1.026 50 0 BDAAHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000097757582 384554989 /nfs/dbraw/zinc/55/49/89/384554989.db2.gz AZKBNPLDOBTBBR-HZSPNIEDSA-N 1 3 216.328 1.856 50 0 BDAAHO NC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCSC1 ZINC000252979860 135118672 /nfs/dbraw/zinc/11/86/72/135118672.db2.gz JTTOFOMDXGVESR-SDDRHHMPSA-N 1 3 228.405 1.989 50 0 BDAAHO c1ccc(CN2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000022462475 397974624 /nfs/dbraw/zinc/97/46/24/397974624.db2.gz QRCCCCZXXGZOGG-HNNXBMFYSA-N 1 3 245.370 1.166 50 0 BDAAHO CN1CCc2c(C[NH3+])c(-n3cccc3)sc2C1 ZINC000045795979 173170517 /nfs/dbraw/zinc/17/05/17/173170517.db2.gz HTYFCMXQVHOZMO-UHFFFAOYSA-N 1 3 247.367 1.985 50 0 BDAAHO C[NH2+]CC1CCN(Cc2cccnc2C)CC1 ZINC000261551900 173338282 /nfs/dbraw/zinc/33/82/82/173338282.db2.gz MNFWUBWYJDCJPG-UHFFFAOYSA-N 1 3 233.359 1.821 50 0 BDAAHO C[NH2+]CC1CCN(Cc2cccnc2)CC1 ZINC000012370851 173338839 /nfs/dbraw/zinc/33/88/39/173338839.db2.gz NGMNACILLKNUTM-UHFFFAOYSA-N 1 3 219.332 1.513 50 0 BDAAHO COCCN(C)CCOc1cccc(C[NH3+])c1 ZINC000042458450 174279631 /nfs/dbraw/zinc/27/96/31/174279631.db2.gz IAKJCITZTMGIJX-UHFFFAOYSA-N 1 3 238.331 1.102 50 0 BDAAHO [NH3+]CC1CCN(Cc2ccc3cc[nH]c3n2)CC1 ZINC000534581340 323153955 /nfs/dbraw/zinc/15/39/55/323153955.db2.gz CUCWCLSHJDOUHO-UHFFFAOYSA-N 1 3 244.342 1.734 50 0 BDAAHO C(CSC1=NCCN1)[NH2+]C1CCCCCC1 ZINC000757120626 582496515 /nfs/dbraw/zinc/49/65/15/582496515.db2.gz BUEBVWNLJOKAGJ-UHFFFAOYSA-N 1 3 241.404 1.991 50 0 BDAAHO CN1CCC([NH2+][C@H]2CCN3CCCC[C@@H]23)CC1 ZINC000217647692 536345449 /nfs/dbraw/zinc/34/54/49/536345449.db2.gz KIFNVBDWODOUAK-KBPBESRZSA-N 1 3 237.391 1.297 50 0 BDAAHO Cc1ccc2n[nH]cc2c1[C@@H]1[NH2+]C[C@@H](N)C[C@@H]1C ZINC000757208754 582560224 /nfs/dbraw/zinc/56/02/24/582560224.db2.gz DAXRXQLVNFBKKN-PKFCDNJMSA-N 1 3 244.342 1.869 50 0 BDAAHO Cc1ccc2n[nH]cc2c1[C@@H]1NCCC[C@H]1C[NH3+] ZINC000757213231 586439606 /nfs/dbraw/zinc/43/96/06/586439606.db2.gz PFBKXYHDNJXBJG-IINYFYTJSA-N 1 3 244.342 1.871 50 0 BDAAHO c1c[nH]c(CCC[N@@H+]2CCN3CCCC[C@H]3C2)n1 ZINC000952883040 974063201 /nfs/dbraw/zinc/06/32/01/974063201.db2.gz MEYKHTSGEUZZDU-ZDUSSCGKSA-N 1 3 248.374 1.512 50 0 BDAAHO c1c[nH]c(CCC[N@H+]2CCN3CCCC[C@H]3C2)n1 ZINC000952883040 974063209 /nfs/dbraw/zinc/06/32/09/974063209.db2.gz MEYKHTSGEUZZDU-ZDUSSCGKSA-N 1 3 248.374 1.512 50 0 BDAAHO [NH3+][C@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000014007983 342875618 /nfs/dbraw/zinc/87/56/18/342875618.db2.gz AZKBNPLDOBTBBR-MJBXVCDLSA-N 1 3 216.328 1.856 50 0 BDAAHO CN(C)Cc1ccc(OC2CC[NH2+]CC2)cc1 ZINC000014628593 342882871 /nfs/dbraw/zinc/88/28/71/342882871.db2.gz QXYPWVQHTNTJKF-UHFFFAOYSA-N 1 3 234.343 1.879 50 0 BDAAHO Cc1cc(Cl)ccc1NC(=N)NC(N)=[NH2+] ZINC000020458497 347451456 /nfs/dbraw/zinc/45/14/56/347451456.db2.gz CANIXRWFFXPTIO-UHFFFAOYSA-N 1 3 225.683 1.478 50 0 BDAAHO Cc1cc(Cl)ccc1NC(=[NH2+])NC(=N)N ZINC000020458497 347451458 /nfs/dbraw/zinc/45/14/58/347451458.db2.gz CANIXRWFFXPTIO-UHFFFAOYSA-N 1 3 225.683 1.478 50 0 BDAAHO NC(=[NH2+])NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000106531532 181189114 /nfs/dbraw/zinc/18/91/14/181189114.db2.gz TZZNVHODCXROLL-ZDUSSCGKSA-N 1 3 246.358 1.382 50 0 BDAAHO NC(=[NH2+])Nc1ccc(OCCN2CCCC2)cc1 ZINC000071261338 181191369 /nfs/dbraw/zinc/19/13/69/181191369.db2.gz JCFGQDBKZLQLOZ-UHFFFAOYSA-N 1 3 248.330 1.467 50 0 BDAAHO Cc1ccc(Cl)cc1NC(=N)NC(N)=[NH2+] ZINC000000477754 383872137 /nfs/dbraw/zinc/87/21/37/383872137.db2.gz SJPLIZPAHCNLFD-UHFFFAOYSA-N 1 3 225.683 1.478 50 0 BDAAHO Cc1ccc(Cl)cc1NC(=[NH2+])NC(=N)N ZINC000000477754 383872144 /nfs/dbraw/zinc/87/21/44/383872144.db2.gz SJPLIZPAHCNLFD-UHFFFAOYSA-N 1 3 225.683 1.478 50 0 BDAAHO Cn1cccc1C[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000050595880 384102846 /nfs/dbraw/zinc/10/28/46/384102846.db2.gz NFEPGKWTVCGLMK-GFCCVEGCSA-N 1 3 233.359 1.599 50 0 BDAAHO C[C@@H]([NH3+])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000034116357 385272701 /nfs/dbraw/zinc/27/27/01/385272701.db2.gz MVLOUNCMDFCYHO-DGCLKSJQSA-N 1 3 204.317 1.856 50 0 BDAAHO C[C@]1(C[NH3+])CCN(Cc2ccccc2)C1 ZINC000034255582 385276867 /nfs/dbraw/zinc/27/68/67/385276867.db2.gz HHSQLKWLJFVEAT-CYBMUJFWSA-N 1 3 204.317 1.857 50 0 BDAAHO C[C@]1(CN)CC[N@H+](Cc2ccccc2)C1 ZINC000034255582 385276873 /nfs/dbraw/zinc/27/68/73/385276873.db2.gz HHSQLKWLJFVEAT-CYBMUJFWSA-N 1 3 204.317 1.857 50 0 BDAAHO C[C@]1(CN)CC[N@@H+](Cc2ccccc2)C1 ZINC000034255582 385276875 /nfs/dbraw/zinc/27/68/75/385276875.db2.gz HHSQLKWLJFVEAT-CYBMUJFWSA-N 1 3 204.317 1.857 50 0 BDAAHO c1ccc(CN2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000022462481 397974535 /nfs/dbraw/zinc/97/45/35/397974535.db2.gz QRCCCCZXXGZOGG-OAHLLOKOSA-N 1 3 245.370 1.166 50 0 BDAAHO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]CCCN(C)C ZINC000020477182 177368784 /nfs/dbraw/zinc/36/87/84/177368784.db2.gz ZFMHJCHHDNGZAM-AGIUHOORSA-N 1 3 227.396 1.256 50 0 BDAAHO Cc1cc2c[nH]nc2cc1[C@@H]1C[NH2+]C[C@@H](N)C1 ZINC000757212169 586438796 /nfs/dbraw/zinc/43/87/96/586438796.db2.gz MFRPPDOBECEYQN-ONGXEEELSA-N 1 3 230.315 1.276 50 0 BDAAHO Cc1cc2c[nH]nc2cc1[C@@H]1CNC[C@@H]([NH3+])C1 ZINC000757212169 586438797 /nfs/dbraw/zinc/43/87/97/586438797.db2.gz MFRPPDOBECEYQN-ONGXEEELSA-N 1 3 230.315 1.276 50 0 BDAAHO CCN1CCN(Cc2ccccc2C[NH3+])CC1 ZINC000021952122 343029892 /nfs/dbraw/zinc/02/98/92/343029892.db2.gz QHKAVVIOVVXKHH-UHFFFAOYSA-N 1 3 233.359 1.283 50 0 BDAAHO Cc1ccccc1C[NH2+]C1CCNCC1 ZINC000038041468 179280701 /nfs/dbraw/zinc/28/07/01/179280701.db2.gz WSXXVLZXEFVOKL-UHFFFAOYSA-N 1 3 204.317 1.837 50 0 BDAAHO C(C1CCC1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000072131866 188307307 /nfs/dbraw/zinc/30/73/07/188307307.db2.gz RJXJTEJXCKHOPE-ZDUSSCGKSA-N 1 3 208.349 1.862 50 0 BDAAHO NC(=[NH2+])c1ccc(CN2CCCCC2)cc1 ZINC000019477813 181194335 /nfs/dbraw/zinc/19/43/35/181194335.db2.gz KQONDBOYNRLLPR-UHFFFAOYSA-N 1 3 217.316 1.957 50 0 BDAAHO C[C@@H]1C[C@H](N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CN1C ZINC000095420365 538603762 /nfs/dbraw/zinc/60/37/62/538603762.db2.gz KSFQVCUTJFMEDY-XJFOESAGSA-N 1 3 237.391 1.295 50 0 BDAAHO C[C@@H]1C[C@H](N[C@@H]2CC[N@H+]3CCCC[C@H]23)CN1C ZINC000095420365 538603766 /nfs/dbraw/zinc/60/37/66/538603766.db2.gz KSFQVCUTJFMEDY-XJFOESAGSA-N 1 3 237.391 1.295 50 0 BDAAHO CN(C)C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH3+] ZINC000169790683 361123260 /nfs/dbraw/zinc/12/32/60/361123260.db2.gz RHXNZHAXWUNHDH-ZIAGYGMSSA-N 1 3 233.359 1.007 50 0 BDAAHO C[NH+](C)C[C@@H]1CN(Cc2ccccc2)C[C@H]1N ZINC000169790683 361123263 /nfs/dbraw/zinc/12/32/63/361123263.db2.gz RHXNZHAXWUNHDH-ZIAGYGMSSA-N 1 3 233.359 1.007 50 0 BDAAHO c1cc(N2CCC([NH2+]C3CC3)CC2)ccn1 ZINC000034978930 132337290 /nfs/dbraw/zinc/33/72/90/132337290.db2.gz VUPCEVNNVGQDTL-UHFFFAOYSA-N 1 3 217.316 1.802 50 0 BDAAHO CN1CC[NH+](C2(CN)CCCCCC2)CC1 ZINC000019505990 173077545 /nfs/dbraw/zinc/07/75/45/173077545.db2.gz JJMGKSYAXUJMID-UHFFFAOYSA-N 1 3 225.380 1.286 50 0 BDAAHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCCc1ccccn1 ZINC000036907785 176278134 /nfs/dbraw/zinc/27/81/34/176278134.db2.gz LXSCDXAHRNDHAW-NFAWXSAZSA-N 1 3 247.386 1.942 50 0 BDAAHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCCc1ccccn1 ZINC000036907785 176278135 /nfs/dbraw/zinc/27/81/35/176278135.db2.gz LXSCDXAHRNDHAW-NFAWXSAZSA-N 1 3 247.386 1.942 50 0 BDAAHO Cc1ccc2n[nH]cc2c1[C@@H]1CC[C@@H](C[NH3+])NC1 ZINC000757207393 582558949 /nfs/dbraw/zinc/55/89/49/582558949.db2.gz ATMMMKHAVVMEFZ-MNOVXSKESA-N 1 3 244.342 1.666 50 0 BDAAHO Cc1ccc2n[nH]cc2c1[C@@H]1CCN[C@H](C[NH3+])C1 ZINC000757210050 586438286 /nfs/dbraw/zinc/43/82/86/586438286.db2.gz HTIRUOIHYRTFRP-MNOVXSKESA-N 1 3 244.342 1.666 50 0 BDAAHO CN(CCC[NH3+])CCCNC(=O)OC(C)(C)C ZINC000039365257 343388984 /nfs/dbraw/zinc/38/89/84/343388984.db2.gz FXXUDMOOSAJDHQ-UHFFFAOYSA-N 1 3 245.367 1.182 50 0 BDAAHO N=C(NC(N)=[NH2+])Nc1ccc2ccccc2c1 ZINC000000470739 181188016 /nfs/dbraw/zinc/18/80/16/181188016.db2.gz RDLIBCPWPNCFBW-UHFFFAOYSA-N 1 3 227.271 1.670 50 0 BDAAHO N=C(N)NC(=[NH2+])Nc1ccc2ccccc2c1 ZINC000000470739 181188017 /nfs/dbraw/zinc/18/80/17/181188017.db2.gz RDLIBCPWPNCFBW-UHFFFAOYSA-N 1 3 227.271 1.670 50 0 BDAAHO C1CC1N1CC[C@H](N[C@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000250877480 541441046 /nfs/dbraw/zinc/44/10/46/541441046.db2.gz UMGSGAJJBJCECI-AEGPPILISA-N 1 3 249.402 1.440 50 0 BDAAHO C1CC1N1CC[C@H](N[C@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000250877480 541441049 /nfs/dbraw/zinc/44/10/49/541441049.db2.gz UMGSGAJJBJCECI-AEGPPILISA-N 1 3 249.402 1.440 50 0 BDAAHO C[N@H+](C[C@@H]1CCCO1)[C@H]1CCCC[C@@H]1N ZINC000250448907 369527030 /nfs/dbraw/zinc/52/70/30/369527030.db2.gz VEMLLQAIJFCAAS-SRVKXCTJSA-N 1 3 212.337 1.367 50 0 BDAAHO C[N@@H+](C[C@@H]1CCCO1)[C@H]1CCCC[C@@H]1N ZINC000250448907 369527032 /nfs/dbraw/zinc/52/70/32/369527032.db2.gz VEMLLQAIJFCAAS-SRVKXCTJSA-N 1 3 212.337 1.367 50 0 BDAAHO CCCN1CCC([NH2+]CCN(C)C)CC1 ZINC000019637324 169188294 /nfs/dbraw/zinc/18/82/94/169188294.db2.gz VFUNPRGSCWGAJX-UHFFFAOYSA-N 1 3 213.369 1.012 50 0 BDAAHO CCC[NH+]1CCC(NCCN(C)C)CC1 ZINC000019637324 169188295 /nfs/dbraw/zinc/18/82/95/169188295.db2.gz VFUNPRGSCWGAJX-UHFFFAOYSA-N 1 3 213.369 1.012 50 0 BDAAHO C[NH2+][C@@H]1CCCC[C@@H]1N(C)C1CCN(C)CC1 ZINC000043815239 384304278 /nfs/dbraw/zinc/30/42/78/384304278.db2.gz SQXROZHTTFVFOL-KGLIPLIRSA-N 1 3 239.407 1.543 50 0 BDAAHO COc1ccc2nccc(N3CC[NH2+]CC3)c2c1 ZINC000040175320 132347103 /nfs/dbraw/zinc/34/71/03/132347103.db2.gz FJTOXVYVSOGWQA-UHFFFAOYSA-N 1 3 243.310 1.653 50 0 BDAAHO C[C@@H]1CN(CC2CC[NH2+]CC2)C[C@H](C)O1 ZINC000021948837 177246138 /nfs/dbraw/zinc/24/61/38/177246138.db2.gz SXCAMRDUPBADFT-PHIMTYICSA-N 1 3 212.337 1.095 50 0 BDAAHO CCSC[C@@H](C)[NH2+]CC1(O)CCN(C)CC1 ZINC000670450628 487500695 /nfs/dbraw/zinc/50/06/95/487500695.db2.gz AOUSWDNRUDTJIG-LLVKDONJSA-N 1 3 246.420 1.174 50 0 BDAAHO Cc1cc2c[nH]nc2cc1[C@@H]1[NH2+]C[C@H](N)C[C@H]1C ZINC000757209071 586438027 /nfs/dbraw/zinc/43/80/27/586438027.db2.gz FOMAYWCETVDHGL-GLXFQSAKSA-N 1 3 244.342 1.869 50 0 BDAAHO Cc1ccc2n[nH]cc2c1[C@H]1NCCC[C@@H]1C[NH3+] ZINC000757213233 586439170 /nfs/dbraw/zinc/43/91/70/586439170.db2.gz PFBKXYHDNJXBJG-YGRLFVJLSA-N 1 3 244.342 1.871 50 0 BDAAHO Cc1ccc2n[nH]cc2c1[C@H]1C[C@H]([NH3+])CCN1 ZINC000757213721 586439824 /nfs/dbraw/zinc/43/98/24/586439824.db2.gz QSUFMVQCIBPYSA-BXKDBHETSA-N 1 3 230.315 1.623 50 0 BDAAHO Cc1ccc2n[nH]cc2c1[C@H]1CNC[C@@H]([NH3+])C1 ZINC000757213667 586439987 /nfs/dbraw/zinc/43/99/87/586439987.db2.gz QMJLECHKIBNFFM-ZJUUUORDSA-N 1 3 230.315 1.276 50 0 BDAAHO COc1cc(C)ccc1OCCNCCC[NH3+] ZINC000004831978 342752971 /nfs/dbraw/zinc/75/29/71/342752971.db2.gz KRIMROYLHGLLLK-UHFFFAOYSA-N 1 3 238.331 1.321 50 0 BDAAHO CC[NH+](CC)CCOc1ccccc1CN ZINC000011801017 342843525 /nfs/dbraw/zinc/84/35/25/342843525.db2.gz QKTZEXRCEPPMOB-UHFFFAOYSA-N 1 3 222.332 1.866 50 0 BDAAHO CCN(CC)CC[NH2+]CCN(CC)CC ZINC000019364754 342946920 /nfs/dbraw/zinc/94/69/20/342946920.db2.gz UICCSKORMGVRCB-UHFFFAOYSA-N 1 3 215.385 1.260 50 0 BDAAHO C[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000020230863 342978025 /nfs/dbraw/zinc/97/80/25/342978025.db2.gz ITFXPPPQNKXGRV-UHFFFAOYSA-N 1 3 233.359 1.153 50 0 BDAAHO C[N@H+](CC1CCOCC1)C[C@H]1CCCNC1 ZINC000042783260 343452868 /nfs/dbraw/zinc/45/28/68/343452868.db2.gz MOODZKXNWUAEJL-ZDUSSCGKSA-N 1 3 226.364 1.344 50 0 BDAAHO C[N@@H+](CC1CCOCC1)C[C@H]1CCCNC1 ZINC000042783260 343452871 /nfs/dbraw/zinc/45/28/71/343452871.db2.gz MOODZKXNWUAEJL-ZDUSSCGKSA-N 1 3 226.364 1.344 50 0 BDAAHO Cc1ccc(C)c(NC(=N)NC(N)=[NH2+])c1 ZINC000005765286 188337569 /nfs/dbraw/zinc/33/75/69/188337569.db2.gz BLPASGLAKXDURP-UHFFFAOYSA-N 1 3 205.265 1.133 50 0 BDAAHO Cc1ccc(C)c(NC(=[NH2+])NC(=N)N)c1 ZINC000005765286 188337571 /nfs/dbraw/zinc/33/75/71/188337571.db2.gz BLPASGLAKXDURP-UHFFFAOYSA-N 1 3 205.265 1.133 50 0 BDAAHO NC[C@@H](Cc1ccccc1)C[NH+]1CCCC1 ZINC000011800150 181418840 /nfs/dbraw/zinc/41/88/40/181418840.db2.gz DIKWQIMBHCYMCJ-CQSZACIVSA-N 1 3 218.344 1.900 50 0 BDAAHO CCOCCCN1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000169616689 170375460 /nfs/dbraw/zinc/37/54/60/170375460.db2.gz AMSJCLFYWQBSTK-QWRGUYRKSA-N 1 3 200.326 1.082 50 0 BDAAHO CCC[NH+]1CCC(N2CCC[C@H](CO)C2)CC1 ZINC000000757065 169186819 /nfs/dbraw/zinc/18/68/19/169186819.db2.gz ASWQIEUYVSQWRV-ZDUSSCGKSA-N 1 3 240.391 1.565 50 0 BDAAHO CN(C)C[C@@H]1CCC[C@@H](C[NH+](C)C)C1=O ZINC000000393560 383860872 /nfs/dbraw/zinc/86/08/72/383860872.db2.gz WFFCWXMFKGCIGF-QWRGUYRKSA-N 1 3 212.337 1.095 50 0 in-vitro BDAAHO C(CC[C@H]1CCCO1)C[NH2+]C1CCNCC1 ZINC000067841919 383950179 /nfs/dbraw/zinc/95/01/79/383950179.db2.gz XZAPTWKYWRWOHI-ZDUSSCGKSA-N 1 3 226.364 1.677 50 0 BDAAHO CCCN1CCN(c2cc[nH+]c(C)c2)CC1 ZINC000185883592 386731938 /nfs/dbraw/zinc/73/19/38/386731938.db2.gz SCGXSUAPQCYPAN-UHFFFAOYSA-N 1 3 219.332 1.922 50 0 BDAAHO Cc1n[nH]cc1C[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000037648931 388474664 /nfs/dbraw/zinc/47/46/64/388474664.db2.gz VVAMSZZBDDNAGD-NSHDSACASA-N 1 3 234.347 1.292 50 0 BDAAHO C[C@@H]1C[C@@H]([NH3+])CCN1Cc1ccccc1 ZINC000049708370 176371205 /nfs/dbraw/zinc/37/12/05/176371205.db2.gz ZXRSAZKEWVLRNS-YPMHNXCESA-N 1 3 204.317 1.998 50 0 BDAAHO CN(C)CCOc1ccccc1N1CC[NH2+]CC1 ZINC000043461316 535916255 /nfs/dbraw/zinc/91/62/55/535916255.db2.gz MZUBUHQECMSCCF-UHFFFAOYSA-N 1 3 249.358 1.037 50 0 BDAAHO Cc1ccc2n[nH]cc2c1[C@@H]1CCN[C@@H](C[NH3+])C1 ZINC000757210048 586438462 /nfs/dbraw/zinc/43/84/62/586438462.db2.gz HTIRUOIHYRTFRP-GHMZBOCLSA-N 1 3 244.342 1.666 50 0 BDAAHO Cc1ccc2n[nH]cc2c1[C@H]1CNC[C@H]([NH3+])C1 ZINC000757213653 586439785 /nfs/dbraw/zinc/43/97/85/586439785.db2.gz QMJLECHKIBNFFM-NXEZZACHSA-N 1 3 230.315 1.276 50 0 BDAAHO Cc1ccc2n[nH]cc2c1[C@H]1C[C@@H]([NH3+])CCN1 ZINC000757213727 586439896 /nfs/dbraw/zinc/43/98/96/586439896.db2.gz QSUFMVQCIBPYSA-JOYOIKCWSA-N 1 3 230.315 1.623 50 0 BDAAHO Cc1ccc2n[nH]cc2c1[C@H]1CC[C@@H](C[NH3+])CN1 ZINC000757211100 643371932 /nfs/dbraw/zinc/37/19/32/643371932.db2.gz JDHDSVVUIAAFRE-GXFFZTMASA-N 1 3 244.342 1.871 50 0 BDAAHO CCN(CC)CC[NH2+]C1CCN(CC)CC1 ZINC000019735362 342955344 /nfs/dbraw/zinc/95/53/44/342955344.db2.gz BTOVAHLUULIHBF-UHFFFAOYSA-N 1 3 227.396 1.402 50 0 BDAAHO CC(C)CN1CCN(C2CC[NH2+]CC2)CC1 ZINC000019688675 351354368 /nfs/dbraw/zinc/35/43/68/351354368.db2.gz KSCYFEWQDWKYIK-UHFFFAOYSA-N 1 3 225.380 1.012 50 0 BDAAHO [NH3+]CCCNCCOc1ccc(Cl)cc1 ZINC000020166911 181381738 /nfs/dbraw/zinc/38/17/38/181381738.db2.gz XVUQCZXRUFGCGO-UHFFFAOYSA-N 1 3 228.723 1.657 50 0 BDAAHO CN(C)C[C@H]1CCC[C@@H](C[NH+](C)C)C1=O ZINC000000393559 383861150 /nfs/dbraw/zinc/86/11/50/383861150.db2.gz WFFCWXMFKGCIGF-PHIMTYICSA-N 1 3 212.337 1.095 50 0 in-vitro BDAAHO CN(C)C[C@@H]1CCC[C@H](C[NH+](C)C)C1=O ZINC000000393559 383861158 /nfs/dbraw/zinc/86/11/58/383861158.db2.gz WFFCWXMFKGCIGF-PHIMTYICSA-N 1 3 212.337 1.095 50 0 in-vitro BDAAHO [NH3+]Cc1ccc(CN2CCC[C@@H](O)C2)cc1 ZINC000036128423 383880886 /nfs/dbraw/zinc/88/08/86/383880886.db2.gz HRXNASKZMPBQGA-CYBMUJFWSA-N 1 3 220.316 1.102 50 0 BDAAHO COCCN[C@@H]1CCC[N@H+](CC2CC2)CC1 ZINC000096669768 174339458 /nfs/dbraw/zinc/33/94/58/174339458.db2.gz QJJQGUVAFHVGCW-CYBMUJFWSA-N 1 3 226.364 1.487 50 0 BDAAHO COCCN[C@@H]1CCC[N@@H+](CC2CC2)CC1 ZINC000096669768 174339460 /nfs/dbraw/zinc/33/94/60/174339460.db2.gz QJJQGUVAFHVGCW-CYBMUJFWSA-N 1 3 226.364 1.487 50 0 BDAAHO COCC[NH2+][C@@H]1CCCN(CC2CC2)CC1 ZINC000096669768 174339463 /nfs/dbraw/zinc/33/94/63/174339463.db2.gz QJJQGUVAFHVGCW-CYBMUJFWSA-N 1 3 226.364 1.487 50 0 BDAAHO C[C@@H]1CN(CC2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000021948835 176286117 /nfs/dbraw/zinc/28/61/17/176286117.db2.gz SXCAMRDUPBADFT-GHMZBOCLSA-N 1 3 212.337 1.095 50 0 BDAAHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCSC1 ZINC000220665372 491110140 /nfs/dbraw/zinc/11/01/40/491110140.db2.gz JTTOFOMDXGVESR-TUAOUCFPSA-N 1 3 228.405 1.989 50 0 BDAAHO CCC[C@@]12CNC[C@@](CCC)(C[N@H+](C)C1)[C@H]2O ZINC000253620611 520968062 /nfs/dbraw/zinc/96/80/62/520968062.db2.gz CERUTFUONTYINA-BTTYYORXSA-N 1 3 240.391 1.469 50 0 BDAAHO CCC[C@@]12CNC[C@@](CCC)(C[N@@H+](C)C1)[C@H]2O ZINC000253620611 520968069 /nfs/dbraw/zinc/96/80/69/520968069.db2.gz CERUTFUONTYINA-BTTYYORXSA-N 1 3 240.391 1.469 50 0 BDAAHO Cc1cc2c[nH]nc2cc1[C@@H]1CNC[C@H](C[NH3+])C1 ZINC000757207456 582560250 /nfs/dbraw/zinc/56/02/50/582560250.db2.gz BFHFLCYJVCBITP-QWRGUYRKSA-N 1 3 244.342 1.523 50 0 BDAAHO Cc1cc2c[nH]nc2cc1[C@@H]1C[NH2+]C[C@H](CN)C1 ZINC000757207456 582560252 /nfs/dbraw/zinc/56/02/52/582560252.db2.gz BFHFLCYJVCBITP-QWRGUYRKSA-N 1 3 244.342 1.523 50 0 BDAAHO Cc1ccc2n[nH]cc2c1[C@H]1CC[C@H](N)C[NH2+]1 ZINC000757209918 586438451 /nfs/dbraw/zinc/43/84/51/586438451.db2.gz GQLVZCFAUGOOJK-JOYOIKCWSA-N 1 3 230.315 1.623 50 0 BDAAHO Cc1cc2c[nH]nc2cc1[C@H]1CCNC[C@@H]1[NH3+] ZINC000757212160 586439123 /nfs/dbraw/zinc/43/91/23/586439123.db2.gz MEGAAEBYUSQOSI-PWSUYJOCSA-N 1 3 230.315 1.276 50 0 BDAAHO C[C@@H](NCCOCC[NH+](C)C)c1ccsc1 ZINC000170606799 136215844 /nfs/dbraw/zinc/21/58/44/136215844.db2.gz UPVZBAMPVJVESX-LLVKDONJSA-N 1 3 242.388 1.977 50 0 BDAAHO CC[NH+]1CCC(N(C)CCCC(=O)OC)CC1 ZINC000042680403 362017647 /nfs/dbraw/zinc/01/76/47/362017647.db2.gz QLKMIDXKUUQJLL-UHFFFAOYSA-N 1 3 242.363 1.356 50 0 BDAAHO CN1CCC[C@H]1CC[NH2+]C1CCN(C)CC1 ZINC000000182775 343268972 /nfs/dbraw/zinc/26/89/72/343268972.db2.gz RGWCSHVMKHVOCE-ZDUSSCGKSA-N 1 3 225.380 1.155 50 0 BDAAHO NCC[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000022935996 181392197 /nfs/dbraw/zinc/39/21/97/181392197.db2.gz LDLWTHMIKGPNCU-CYBMUJFWSA-N 1 3 204.317 1.825 50 0 BDAAHO NCC[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000022935996 181392198 /nfs/dbraw/zinc/39/21/98/181392198.db2.gz LDLWTHMIKGPNCU-CYBMUJFWSA-N 1 3 204.317 1.825 50 0 BDAAHO CN1CCCC[C@H]1CC[N@H+](C)CCCO ZINC000075860835 388358839 /nfs/dbraw/zinc/35/88/39/388358839.db2.gz FNWPFJJPJDEITL-LBPRGKRZSA-N 1 3 214.353 1.175 50 0 BDAAHO CN1CCCC[C@H]1CC[N@@H+](C)CCCO ZINC000075860835 388358841 /nfs/dbraw/zinc/35/88/41/388358841.db2.gz FNWPFJJPJDEITL-LBPRGKRZSA-N 1 3 214.353 1.175 50 0 BDAAHO CN1CCC2(CC1)C[C@H]([NH3+])c1ccccc1O2 ZINC000003426746 173002594 /nfs/dbraw/zinc/00/25/94/173002594.db2.gz FSDMQOWLLXKURF-LBPRGKRZSA-N 1 3 232.327 1.933 50 0 BDAAHO COCC[N@H+](C)CC[C@H](N)c1ccccc1 ZINC000042460288 174278499 /nfs/dbraw/zinc/27/84/99/174278499.db2.gz KKNYJWAJPJRWHC-ZDUSSCGKSA-N 1 3 222.332 1.655 50 0 BDAAHO COCC[N@@H+](C)CC[C@H](N)c1ccccc1 ZINC000042460288 174278500 /nfs/dbraw/zinc/27/85/00/174278500.db2.gz KKNYJWAJPJRWHC-ZDUSSCGKSA-N 1 3 222.332 1.655 50 0 BDAAHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH3+] ZINC000206966542 176305870 /nfs/dbraw/zinc/30/58/70/176305870.db2.gz MGTFEKWKCLDVNN-DGCLKSJQSA-N 1 3 204.317 1.856 50 0 BDAAHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCCc1ccccn1 ZINC000036907788 177332189 /nfs/dbraw/zinc/33/21/89/177332189.db2.gz LXSCDXAHRNDHAW-VNHYZAJKSA-N 1 3 247.386 1.942 50 0 BDAAHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCCc1ccccn1 ZINC000036907788 177332190 /nfs/dbraw/zinc/33/21/90/177332190.db2.gz LXSCDXAHRNDHAW-VNHYZAJKSA-N 1 3 247.386 1.942 50 0 BDAAHO Cc1ccc2n[nH]cc2c1[C@H]1CNCC[C@@H]1[NH3+] ZINC000757212106 586438868 /nfs/dbraw/zinc/43/88/68/586438868.db2.gz LPVODKCTTXHODT-ONGXEEELSA-N 1 3 230.315 1.276 50 0 BDAAHO Cc1ccc2n[nH]cc2c1[C@H]1NCCC[C@H]1C[NH3+] ZINC000757213230 586439244 /nfs/dbraw/zinc/43/92/44/586439244.db2.gz PFBKXYHDNJXBJG-HZMBPMFUSA-N 1 3 244.342 1.871 50 0 BDAAHO Cc1ccc2n[nH]cc2c1[C@@H]1C[C@H](C)[C@@H](N)C[NH2+]1 ZINC000757213576 586439925 /nfs/dbraw/zinc/43/99/25/586439925.db2.gz PRHBPHJMLSRTCP-GAFUQQFSSA-N 1 3 244.342 1.869 50 0 BDAAHO Cc1cc2c[nH]nc2cc1[C@@H]1CNCC[C@H]1[NH3+] ZINC000757214389 586440081 /nfs/dbraw/zinc/44/00/81/586440081.db2.gz SEBDDRRLCRPNDR-NWDGAFQWSA-N 1 3 230.315 1.276 50 0 BDAAHO Cc1cc2c[nH]nc2cc1[C@@H]1C[NH2+]CC[C@H]1N ZINC000757214389 586440082 /nfs/dbraw/zinc/44/00/82/586440082.db2.gz SEBDDRRLCRPNDR-NWDGAFQWSA-N 1 3 230.315 1.276 50 0 BDAAHO Cc1cc2c[nH]nc2cc1[C@@H]1CNCC[C@@H]1[NH3+] ZINC000757214390 586440368 /nfs/dbraw/zinc/44/03/68/586440368.db2.gz SEBDDRRLCRPNDR-RYUDHWBXSA-N 1 3 230.315 1.276 50 0 BDAAHO Cc1cc2c[nH]nc2cc1[C@@H]1C[NH2+]CC[C@@H]1N ZINC000757214390 586440370 /nfs/dbraw/zinc/44/03/70/586440370.db2.gz SEBDDRRLCRPNDR-RYUDHWBXSA-N 1 3 230.315 1.276 50 0 BDAAHO c1c[nH]c(CCC[N@@H+]2CCN3CCCC[C@@H]3C2)n1 ZINC000952883037 974063164 /nfs/dbraw/zinc/06/31/64/974063164.db2.gz MEYKHTSGEUZZDU-CYBMUJFWSA-N 1 3 248.374 1.512 50 0 BDAAHO c1c[nH]c(CCC[N@H+]2CCN3CCCC[C@@H]3C2)n1 ZINC000952883037 974063168 /nfs/dbraw/zinc/06/31/68/974063168.db2.gz MEYKHTSGEUZZDU-CYBMUJFWSA-N 1 3 248.374 1.512 50 0 BDAAHO C[C@H]([NH3+])[C@H]1CCN(Cc2ccccc2)C1 ZINC000034061594 343263676 /nfs/dbraw/zinc/26/36/76/343263676.db2.gz MVLOUNCMDFCYHO-AAEUAGOBSA-N 1 3 204.317 1.856 50 0 BDAAHO O[C@@H](C[NH2+]C1CCNCC1)c1ccccc1 ZINC000038040845 183179134 /nfs/dbraw/zinc/17/91/34/183179134.db2.gz NRYHIIHGRRHTMH-ZDUSSCGKSA-N 1 3 220.316 1.062 50 0 BDAAHO Cc1ccc([C@@H](O)CNC2CC[NH+](C)CC2)cc1 ZINC000084148704 384760647 /nfs/dbraw/zinc/76/06/47/384760647.db2.gz QDJXNFMVIOKPHV-HNNXBMFYSA-N 1 3 248.370 1.712 50 0 BDAAHO CC(C)[C@H](C)[NH2+]CCCCN1CCN(C)CC1 ZINC000095420255 388769808 /nfs/dbraw/zinc/76/98/08/388769808.db2.gz VWTMHHSJAYPOSU-AWEZNQCLSA-N 1 3 241.423 1.648 50 0 BDAAHO CN1CCC2(CC1)C[C@@H]([NH3+])c1ccccc1O2 ZINC000003426744 173001668 /nfs/dbraw/zinc/00/16/68/173001668.db2.gz FSDMQOWLLXKURF-GFCCVEGCSA-N 1 3 232.327 1.933 50 0 BDAAHO Cc1ccc2n[nH]cc2c1[C@H]1C[NH2+]C[C@@H](CN)C1 ZINC000757216143 582560722 /nfs/dbraw/zinc/56/07/22/582560722.db2.gz YBEQNHUUCFGELZ-GHMZBOCLSA-N 1 3 244.342 1.523 50 0 BDAAHO Cc1ccc2n[nH]cc2c1[C@H]1CNC[C@@H](C[NH3+])C1 ZINC000757216143 582560724 /nfs/dbraw/zinc/56/07/24/582560724.db2.gz YBEQNHUUCFGELZ-GHMZBOCLSA-N 1 3 244.342 1.523 50 0 BDAAHO Cc1cc2c[nH]nc2cc1[C@H]1C[NH2+]C[C@H](N)C1 ZINC000757212168 586438877 /nfs/dbraw/zinc/43/88/77/586438877.db2.gz MFRPPDOBECEYQN-MWLCHTKSSA-N 1 3 230.315 1.276 50 0 BDAAHO Cc1cc2c[nH]nc2cc1[C@H]1CNC[C@H]([NH3+])C1 ZINC000757212168 586438878 /nfs/dbraw/zinc/43/88/78/586438878.db2.gz MFRPPDOBECEYQN-MWLCHTKSSA-N 1 3 230.315 1.276 50 0 BDAAHO [NH3+][C@H]1CCCN(Cc2ccccc2)CC1 ZINC000002525360 342722473 /nfs/dbraw/zinc/72/24/73/342722473.db2.gz AWOBBFYDHSJOIL-ZDUSSCGKSA-N 1 3 204.317 2.000 50 0 BDAAHO C[NH+](C)C[C@@H](CN)c1ccc(Cl)cc1 ZINC000041226746 384183350 /nfs/dbraw/zinc/18/33/50/384183350.db2.gz QKZQZLFNHGBKPY-SNVBAGLBSA-N 1 3 212.724 1.944 50 0 BDAAHO C[C@@H]1C[C@H]([NH3+])CCN1Cc1ccccc1 ZINC000049708366 384558702 /nfs/dbraw/zinc/55/87/02/384558702.db2.gz ZXRSAZKEWVLRNS-DGCLKSJQSA-N 1 3 204.317 1.998 50 0 BDAAHO Cc1ccc(OCCNCCC[NH3+])c(C)c1 ZINC000020167040 384590821 /nfs/dbraw/zinc/59/08/21/384590821.db2.gz LBHLEBIXWIRXGA-UHFFFAOYSA-N 1 3 222.332 1.621 50 0 BDAAHO CCN(CC)CCC[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000191546396 387487182 /nfs/dbraw/zinc/48/71/82/387487182.db2.gz BFFKLVCATGLHKG-AWEZNQCLSA-N 1 3 240.391 1.831 50 0 BDAAHO CCN(CC)CCC[N@H+]1CC[C@]2(CCOC2)C1 ZINC000191546396 387487185 /nfs/dbraw/zinc/48/71/85/387487185.db2.gz BFFKLVCATGLHKG-AWEZNQCLSA-N 1 3 240.391 1.831 50 0 BDAAHO [NH3+][C@H]1[C@@H]2CC[C@H]1CN(C1Cc3ccccc3C1)C2 ZINC000426397319 387565330 /nfs/dbraw/zinc/56/53/30/387565330.db2.gz AWFMQEPAYVPVQN-FOLVSLTJSA-N 1 3 242.366 1.823 50 0 BDAAHO CC(C)(O)C[N@@H+]1C[C@@H](CN)[C@H](c2ccccc2)C1 ZINC000261748241 135249747 /nfs/dbraw/zinc/24/97/47/135249747.db2.gz NBYSHFNUXBXPQN-KGLIPLIRSA-N 1 3 248.370 1.432 50 0 BDAAHO CC(C)(O)C[N@H+]1C[C@@H](CN)[C@H](c2ccccc2)C1 ZINC000261748241 135249748 /nfs/dbraw/zinc/24/97/48/135249748.db2.gz NBYSHFNUXBXPQN-KGLIPLIRSA-N 1 3 248.370 1.432 50 0 BDAAHO CCC[C@@]12CNC[C@@](CCC)(C[N@H+](C)C1)[C@@H]2O ZINC000253620613 520967860 /nfs/dbraw/zinc/96/78/60/520967860.db2.gz CERUTFUONTYINA-ZSOGYDGISA-N 1 3 240.391 1.469 50 0 BDAAHO CCC[C@@]12CNC[C@@](CCC)(C[N@@H+](C)C1)[C@@H]2O ZINC000253620613 520967867 /nfs/dbraw/zinc/96/78/67/520967867.db2.gz CERUTFUONTYINA-ZSOGYDGISA-N 1 3 240.391 1.469 50 0 BDAAHO Cc1cc2c[nH]nc2cc1[C@@H]1[NH2+]C[C@@H](N)C[C@H]1C ZINC000757209075 586438080 /nfs/dbraw/zinc/43/80/80/586438080.db2.gz FOMAYWCETVDHGL-OLUVUFQESA-N 1 3 244.342 1.869 50 0 BDAAHO Cc1ccc2n[nH]cc2c1[C@@H]1CNCC[C@H]1[NH3+] ZINC000757212105 586438925 /nfs/dbraw/zinc/43/89/25/586438925.db2.gz LPVODKCTTXHODT-MWLCHTKSSA-N 1 3 230.315 1.276 50 0 BDAAHO Cc1ccc2n[nH]cc2c1[C@@H]1C[C@@H](C)[C@H](N)C[NH2+]1 ZINC000757213578 586439869 /nfs/dbraw/zinc/43/98/69/586439869.db2.gz PRHBPHJMLSRTCP-XWIASGKRSA-N 1 3 244.342 1.869 50 0 BDAAHO Cc1ccc2n[nH]cc2c1[C@@H]1C[C@H](C)[C@H](N)C[NH2+]1 ZINC000757213577 586439872 /nfs/dbraw/zinc/43/98/72/586439872.db2.gz PRHBPHJMLSRTCP-NDMJEZRESA-N 1 3 244.342 1.869 50 0 BDAAHO Cc1ccc2n[nH]cc2c1[C@@H]1C[C@@H]([NH3+])CCN1 ZINC000757213724 586439878 /nfs/dbraw/zinc/43/98/78/586439878.db2.gz QSUFMVQCIBPYSA-CABZTGNLSA-N 1 3 230.315 1.623 50 0 BDAAHO CCN(CC)CC[NH2+]C1CCN(C)CC1 ZINC000019735360 342955482 /nfs/dbraw/zinc/95/54/82/342955482.db2.gz GCBYFXPUGDYLPV-UHFFFAOYSA-N 1 3 213.369 1.012 50 0 BDAAHO [NH3+]Cc1ccccc1CN1CCC(O)CC1 ZINC000022176128 187764287 /nfs/dbraw/zinc/76/42/87/187764287.db2.gz HTFVKXJKSSRXQI-UHFFFAOYSA-N 1 3 220.316 1.102 50 0 BDAAHO NCCC[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC000002469584 181382602 /nfs/dbraw/zinc/38/26/02/181382602.db2.gz PEISMEIIGOUEOP-UHFFFAOYSA-N 1 3 208.349 1.894 50 0 BDAAHO OCCNCCC[NH2+]CC1CCCCC1 ZINC000013732741 183078075 /nfs/dbraw/zinc/07/80/75/183078075.db2.gz IPBRFSTZZHDGNT-UHFFFAOYSA-N 1 3 214.353 1.128 50 0 BDAAHO C(CC[C@@H]1CCCO1)C[NH2+]C1CCNCC1 ZINC000067841920 383950388 /nfs/dbraw/zinc/95/03/88/383950388.db2.gz XZAPTWKYWRWOHI-CYBMUJFWSA-N 1 3 226.364 1.677 50 0 BDAAHO C[C@@H]1C[C@H](C[NH3+])CN1Cc1ccccc1 ZINC000082164327 384650629 /nfs/dbraw/zinc/65/06/29/384650629.db2.gz BIDKDUYMXXPICF-DGCLKSJQSA-N 1 3 204.317 1.856 50 0 BDAAHO C[C@@H]1C[C@H](CN)C[N@@H+]1Cc1ccccc1 ZINC000082164327 384650635 /nfs/dbraw/zinc/65/06/35/384650635.db2.gz BIDKDUYMXXPICF-DGCLKSJQSA-N 1 3 204.317 1.856 50 0 BDAAHO C[C@@H]1C[C@H](CN)C[N@H+]1Cc1ccccc1 ZINC000082164327 384650640 /nfs/dbraw/zinc/65/06/40/384650640.db2.gz BIDKDUYMXXPICF-DGCLKSJQSA-N 1 3 204.317 1.856 50 0 BDAAHO C[C@@H]1C[C@@H](C[NH3+])CN1Cc1ccccc1 ZINC000082164331 176368125 /nfs/dbraw/zinc/36/81/25/176368125.db2.gz BIDKDUYMXXPICF-YPMHNXCESA-N 1 3 204.317 1.856 50 0 BDAAHO C[C@@H]1C[C@@H](CN)C[N@@H+]1Cc1ccccc1 ZINC000082164331 176368127 /nfs/dbraw/zinc/36/81/27/176368127.db2.gz BIDKDUYMXXPICF-YPMHNXCESA-N 1 3 204.317 1.856 50 0 BDAAHO C[C@@H]1C[C@@H](CN)C[N@H+]1Cc1ccccc1 ZINC000082164331 176368128 /nfs/dbraw/zinc/36/81/28/176368128.db2.gz BIDKDUYMXXPICF-YPMHNXCESA-N 1 3 204.317 1.856 50 0 BDAAHO C[C@@H]1CN(CCC2CC[NH2+]CC2)C[C@H](C)O1 ZINC000026515241 177247187 /nfs/dbraw/zinc/24/71/87/177247187.db2.gz VAXHDQLLHKKJFR-TXEJJXNPSA-N 1 3 226.364 1.485 50 0 BDAAHO Cc1cc2c[nH]nc2cc1[C@H]1CCN[C@@H](C[NH3+])C1 ZINC000757215134 586440286 /nfs/dbraw/zinc/44/02/86/586440286.db2.gz VAJUHQAFFJVQMU-CMPLNLGQSA-N 1 3 244.342 1.666 50 0 BDAAHO [NH3+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000014007980 342875652 /nfs/dbraw/zinc/87/56/52/342875652.db2.gz AZKBNPLDOBTBBR-BFHYXJOUSA-N 1 3 216.328 1.856 50 0 BDAAHO CCN1CCC([NH2+]CCN2CCCCC2)CC1 ZINC000022455832 343140197 /nfs/dbraw/zinc/14/01/97/343140197.db2.gz PZTPBSWUJWCZGU-UHFFFAOYSA-N 1 3 239.407 1.546 50 0 BDAAHO CC[NH+]1CCC(NCCN2CCCCC2)CC1 ZINC000022455832 343140199 /nfs/dbraw/zinc/14/01/99/343140199.db2.gz PZTPBSWUJWCZGU-UHFFFAOYSA-N 1 3 239.407 1.546 50 0 BDAAHO C[C@@H]1C[C@H](N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CN1C ZINC000222017386 538571633 /nfs/dbraw/zinc/57/16/33/538571633.db2.gz KSFQVCUTJFMEDY-RQJABVFESA-N 1 3 237.391 1.295 50 0 BDAAHO C[C@@H]1C[C@H](N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CN1C ZINC000222017386 538571644 /nfs/dbraw/zinc/57/16/44/538571644.db2.gz KSFQVCUTJFMEDY-RQJABVFESA-N 1 3 237.391 1.295 50 0 BDAAHO COc1ccc(CNCC(C)(C)C[NH3+])cc1 ZINC000258690125 538793440 /nfs/dbraw/zinc/79/34/40/538793440.db2.gz FTRDTJMYLLPQDI-UHFFFAOYSA-N 1 3 222.332 1.770 50 0 BDAAHO COc1ccc(C[NH2+]CC(C)(C)CN)cc1 ZINC000258690125 538793448 /nfs/dbraw/zinc/79/34/48/538793448.db2.gz FTRDTJMYLLPQDI-UHFFFAOYSA-N 1 3 222.332 1.770 50 0 BDAAHO COc1cccc(CNCC(C)(C)C[NH3+])c1 ZINC000258844355 538798485 /nfs/dbraw/zinc/79/84/85/538798485.db2.gz WRDDSDTWGIRGGA-UHFFFAOYSA-N 1 3 222.332 1.770 50 0 BDAAHO COc1cccc(C[NH2+]CC(C)(C)CN)c1 ZINC000258844355 538798493 /nfs/dbraw/zinc/79/84/93/538798493.db2.gz WRDDSDTWGIRGGA-UHFFFAOYSA-N 1 3 222.332 1.770 50 0 BDAAHO [NH3+]C1CCN(C2CCSCC2)CC1 ZINC000040457230 181343273 /nfs/dbraw/zinc/34/32/73/181343273.db2.gz LJDBWJGRQUBZBU-UHFFFAOYSA-N 1 3 200.351 1.305 50 0 BDAAHO [NH3+]CC1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000044512257 181365006 /nfs/dbraw/zinc/36/50/06/181365006.db2.gz MIMRFDKIQTWRLE-UHFFFAOYSA-N 1 3 246.354 1.792 50 0 BDAAHO C1CC1N1CC[C@@H](N[C@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000250877489 541441435 /nfs/dbraw/zinc/44/14/35/541441435.db2.gz UMGSGAJJBJCECI-VHDGCEQUSA-N 1 3 249.402 1.440 50 0 BDAAHO C1CC1N1CC[C@@H](N[C@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000250877489 541441438 /nfs/dbraw/zinc/44/14/38/541441438.db2.gz UMGSGAJJBJCECI-VHDGCEQUSA-N 1 3 249.402 1.440 50 0 BDAAHO C[C@@H]1C[C@H](N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CN1C ZINC000252120089 541445275 /nfs/dbraw/zinc/44/52/75/541445275.db2.gz KSFQVCUTJFMEDY-RFGFWPKPSA-N 1 3 237.391 1.295 50 0 BDAAHO C[C@@H]1C[C@H](N[C@H]2CC[N@H+]3CCCC[C@@H]23)CN1C ZINC000252120089 541445279 /nfs/dbraw/zinc/44/52/79/541445279.db2.gz KSFQVCUTJFMEDY-RFGFWPKPSA-N 1 3 237.391 1.295 50 0 BDAAHO [NH3+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000022178555 384744203 /nfs/dbraw/zinc/74/42/03/384744203.db2.gz JTGIUXXVEATROB-UHFFFAOYSA-N 1 3 220.316 1.102 50 0 BDAAHO Cc1cc2c[nH]nc2cc1[C@@H]1NCCC[C@H]1C[NH3+] ZINC000757212120 586438997 /nfs/dbraw/zinc/43/89/97/586438997.db2.gz LZUFYKYGKBUOOE-IINYFYTJSA-N 1 3 244.342 1.871 50 0 BDAAHO Cc1ccc2n[nH]cc2c1[C@@H]1CC[C@H](C[NH3+])CN1 ZINC000757211101 643371533 /nfs/dbraw/zinc/37/15/33/643371533.db2.gz JDHDSVVUIAAFRE-MFKMUULPSA-N 1 3 244.342 1.871 50 0 BDAAHO [NH3+][C@@H]1CCCN(Cc2ccccc2)CC1 ZINC000004202943 342743870 /nfs/dbraw/zinc/74/38/70/342743870.db2.gz AWOBBFYDHSJOIL-CYBMUJFWSA-N 1 3 204.317 2.000 50 0 BDAAHO CCOc1cccc(OCCCNCC[NH3+])c1 ZINC000020118180 342969603 /nfs/dbraw/zinc/96/96/03/342969603.db2.gz WXCFXBLNOQJNJW-UHFFFAOYSA-N 1 3 238.331 1.403 50 0 BDAAHO CN1CCC2(CC1)C[NH2+]Cc1ccccc12 ZINC000105052854 346617623 /nfs/dbraw/zinc/61/76/23/346617623.db2.gz DTSIKRKXTOMFRO-UHFFFAOYSA-N 1 3 216.328 1.753 50 0 BDAAHO C[NH+]1CCC2(CC1)CNCc1ccccc12 ZINC000105052854 346617627 /nfs/dbraw/zinc/61/76/27/346617627.db2.gz DTSIKRKXTOMFRO-UHFFFAOYSA-N 1 3 216.328 1.753 50 0 BDAAHO N=C(NC(N)=[NH2+])Nc1cccc(C(F)(F)F)c1 ZINC000000061081 181187562 /nfs/dbraw/zinc/18/75/62/181187562.db2.gz VAVLIBZGJFBQLY-UHFFFAOYSA-N 1 3 245.208 1.535 50 0 BDAAHO O[C@H](C[NH2+]C1CCNCC1)c1ccccc1 ZINC000038040844 183222504 /nfs/dbraw/zinc/22/25/04/183222504.db2.gz NRYHIIHGRRHTMH-CYBMUJFWSA-N 1 3 220.316 1.062 50 0 BDAAHO [NH3+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000002884189 383991156 /nfs/dbraw/zinc/99/11/56/383991156.db2.gz FJHBXXSVOVHAEM-CYBMUJFWSA-N 1 3 204.317 1.510 50 0 BDAAHO NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000002884189 383991162 /nfs/dbraw/zinc/99/11/62/383991162.db2.gz FJHBXXSVOVHAEM-CYBMUJFWSA-N 1 3 204.317 1.510 50 0 BDAAHO NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000002884189 383991164 /nfs/dbraw/zinc/99/11/64/383991164.db2.gz FJHBXXSVOVHAEM-CYBMUJFWSA-N 1 3 204.317 1.510 50 0 BDAAHO N[C@H](CC(=O)N1CCC[C@@H]1C[NH3+])c1ccccc1 ZINC000238038279 384469325 /nfs/dbraw/zinc/46/93/25/384469325.db2.gz FVJRGVZTHWKIQJ-CHWSQXEVSA-N 1 3 247.342 1.026 50 0 BDAAHO CN1CCCC[C@@H]1CC[N@H+](C)CCCO ZINC000075860833 388359255 /nfs/dbraw/zinc/35/92/55/388359255.db2.gz FNWPFJJPJDEITL-GFCCVEGCSA-N 1 3 214.353 1.175 50 0 BDAAHO CN1CCCC[C@@H]1CC[N@@H+](C)CCCO ZINC000075860833 388359256 /nfs/dbraw/zinc/35/92/56/388359256.db2.gz FNWPFJJPJDEITL-GFCCVEGCSA-N 1 3 214.353 1.175 50 0 BDAAHO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1 ZINC000062569199 176305627 /nfs/dbraw/zinc/30/56/27/176305627.db2.gz NGECKXKOOXAGCQ-GFCCVEGCSA-N 1 3 204.317 1.870 50 0 BDAAHO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1 ZINC000062569199 176305629 /nfs/dbraw/zinc/30/56/29/176305629.db2.gz NGECKXKOOXAGCQ-GFCCVEGCSA-N 1 3 204.317 1.870 50 0 BDAAHO Cc1ccc2n[nH]cc2c1[C@@H]1CC[C@@H](N)C[NH2+]1 ZINC000757209921 586438608 /nfs/dbraw/zinc/43/86/08/586438608.db2.gz GQLVZCFAUGOOJK-SKDRFNHKSA-N 1 3 230.315 1.623 50 0 BDAAHO Cc1ccc2n[nH]cc2c1[C@@H]1CNCC[C@@H]1[NH3+] ZINC000757212103 643370009 /nfs/dbraw/zinc/37/00/09/643370009.db2.gz LPVODKCTTXHODT-KOLCDFICSA-N 1 3 230.315 1.276 50 0 BDAAHO C[C@H](NCCOCC[NH+](C)C)c1ccsc1 ZINC000170606798 136215878 /nfs/dbraw/zinc/21/58/78/136215878.db2.gz UPVZBAMPVJVESX-NSHDSACASA-N 1 3 242.388 1.977 50 0 BDAAHO C[N@H+](C[C@@H]1CCCO1)[C@@H]1CCCC[C@@H]1N ZINC000042463956 342775847 /nfs/dbraw/zinc/77/58/47/342775847.db2.gz VEMLLQAIJFCAAS-SDDRHHMPSA-N 1 3 212.337 1.367 50 0 BDAAHO C[N@@H+](C[C@@H]1CCCO1)[C@@H]1CCCC[C@@H]1N ZINC000042463956 342775848 /nfs/dbraw/zinc/77/58/48/342775848.db2.gz VEMLLQAIJFCAAS-SDDRHHMPSA-N 1 3 212.337 1.367 50 0 BDAAHO CN1CCC[C@@H]1CC[NH2+]C1CCN(C)CC1 ZINC000000182771 343268951 /nfs/dbraw/zinc/26/89/51/343268951.db2.gz RGWCSHVMKHVOCE-CYBMUJFWSA-N 1 3 225.380 1.155 50 0 BDAAHO Cc1ccccc1CN1CC[C@H](C[NH3+])C1 ZINC000054956872 179275616 /nfs/dbraw/zinc/27/56/16/179275616.db2.gz UPZHRTDWMNFMBY-GFCCVEGCSA-N 1 3 204.317 1.776 50 0 BDAAHO NC(=[NH2+])NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000058366275 181189083 /nfs/dbraw/zinc/18/90/83/181189083.db2.gz TZZNVHODCXROLL-CYBMUJFWSA-N 1 3 246.358 1.382 50 0 BDAAHO Cc1cc(NCC[NH+](C)C)c2ccccc2n1 ZINC000006043951 355671051 /nfs/dbraw/zinc/67/10/51/355671051.db2.gz XZVPWONUXVMZNE-UHFFFAOYSA-N 1 3 229.327 1.939 50 0 BDAAHO c1ccc(CN2C[C@@H]3CC[NH2+]C[C@H]3C2)cc1 ZINC000016082803 368371277 /nfs/dbraw/zinc/37/12/77/368371277.db2.gz VZMAYQMDXZLZFZ-KBPBESRZSA-N 1 3 216.328 1.728 50 0 BDAAHO c1ccc(C[N@@H+]2C[C@@H]3CCNC[C@H]3C2)cc1 ZINC000016082803 368371284 /nfs/dbraw/zinc/37/12/84/368371284.db2.gz VZMAYQMDXZLZFZ-KBPBESRZSA-N 1 3 216.328 1.728 50 0 BDAAHO c1ccc(C[N@H+]2C[C@@H]3CCNC[C@H]3C2)cc1 ZINC000016082803 368371292 /nfs/dbraw/zinc/37/12/92/368371292.db2.gz VZMAYQMDXZLZFZ-KBPBESRZSA-N 1 3 216.328 1.728 50 0 BDAAHO CCC[NH+]1CCC(N2CCC[C@@H](CO)C2)CC1 ZINC000000757063 169186552 /nfs/dbraw/zinc/18/65/52/169186552.db2.gz ASWQIEUYVSQWRV-CYBMUJFWSA-N 1 3 240.391 1.565 50 0 BDAAHO [NH3+]Cc1ccc(CN2CCC[C@H](O)C2)cc1 ZINC000036128422 383882107 /nfs/dbraw/zinc/88/21/07/383882107.db2.gz HRXNASKZMPBQGA-ZDUSSCGKSA-N 1 3 220.316 1.102 50 0 BDAAHO C[C@@H]([NH3+])C1CCN(Cc2cccc(O)c2)CC1 ZINC000113207409 387115762 /nfs/dbraw/zinc/11/57/62/387115762.db2.gz HQUPZMSWMPHMLE-LLVKDONJSA-N 1 3 234.343 1.951 50 0 BDAAHO CN1CCC2(CC1)C[NH2+]Cc1ccccc1O2 ZINC000019588445 173001233 /nfs/dbraw/zinc/00/12/33/173001233.db2.gz UCGGARLBZHETFL-UHFFFAOYSA-N 1 3 232.327 1.633 50 0 BDAAHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH3+] ZINC000026897153 176306130 /nfs/dbraw/zinc/30/61/30/176306130.db2.gz MGTFEKWKCLDVNN-YPMHNXCESA-N 1 3 204.317 1.856 50 0 BDAAHO C[C@H]1CCNCC[N@@H+]1Cc1ccccc1 ZINC000062569213 177174805 /nfs/dbraw/zinc/17/48/05/177174805.db2.gz RGKDAJPPEVSFBH-LBPRGKRZSA-N 1 3 204.317 1.870 50 0 BDAAHO C[C@H]1CCNCC[N@H+]1Cc1ccccc1 ZINC000062569213 177174806 /nfs/dbraw/zinc/17/48/06/177174806.db2.gz RGKDAJPPEVSFBH-LBPRGKRZSA-N 1 3 204.317 1.870 50 0 BDAAHO CN1CCC([NH2+][C@@H]2CCN3CCCC[C@@H]23)CC1 ZINC000217647617 536344177 /nfs/dbraw/zinc/34/41/77/536344177.db2.gz KIFNVBDWODOUAK-KGLIPLIRSA-N 1 3 237.391 1.297 50 0 BDAAHO CC1(NC2CSCCSC2)CC[NH2+]CC1 ZINC000426396646 635699694 /nfs/dbraw/zinc/69/96/94/635699694.db2.gz RAZGLXOCYNDLGC-UHFFFAOYSA-N 1 3 246.445 1.567 50 0 BDAAHO CC1([NH2+]C2CSCCSC2)CCNCC1 ZINC000426396646 635699700 /nfs/dbraw/zinc/69/97/00/635699700.db2.gz RAZGLXOCYNDLGC-UHFFFAOYSA-N 1 3 246.445 1.567 50 0 BDAAHO Cc1ccc2n[nH]cc2c1[C@@H]1CCNC[C@H]1[NH3+] ZINC000757213845 712583193 /nfs/dbraw/zinc/58/31/93/712583193.db2.gz RHBKAVMFHZSMQX-MWLCHTKSSA-N 1 3 230.315 1.276 50 0 BDAAHO CN(CCN1CC[NH2+]CC1)Cc1ccccc1 ZINC000020179795 342974759 /nfs/dbraw/zinc/97/47/59/342974759.db2.gz AQKKSXVAGSAHBT-UHFFFAOYSA-N 1 3 233.359 1.024 50 0 BDAAHO CN1[C@H](c2ccccc2)[C@@H](C[NH3+])C[C@]1(C)CO ZINC000101006171 343400013 /nfs/dbraw/zinc/40/00/13/343400013.db2.gz KPPJHGVBDBRRCV-MGPQQGTHSA-N 1 3 234.343 1.389 50 0 BDAAHO C[N@@H+]1[C@H](c2ccccc2)[C@@H](CN)C[C@]1(C)CO ZINC000101006171 343400017 /nfs/dbraw/zinc/40/00/17/343400017.db2.gz KPPJHGVBDBRRCV-MGPQQGTHSA-N 1 3 234.343 1.389 50 0 BDAAHO C[N@H+]1[C@H](c2ccccc2)[C@@H](CN)C[C@]1(C)CO ZINC000101006171 343400020 /nfs/dbraw/zinc/40/00/20/343400020.db2.gz KPPJHGVBDBRRCV-MGPQQGTHSA-N 1 3 234.343 1.389 50 0 BDAAHO C[C@H]([NH2+]CC[C@H]1CCCN1C)C1CCOCC1 ZINC000096492060 385230627 /nfs/dbraw/zinc/23/06/27/385230627.db2.gz MTVSZIOPBPOQPB-GXTWGEPZSA-N 1 3 240.391 1.875 50 0 BDAAHO Cc1cc(N2CC[NH2+]CC2)c2ccccc2n1 ZINC000000084212 132312508 /nfs/dbraw/zinc/31/25/08/132312508.db2.gz XYBLCORUTWKJOI-UHFFFAOYSA-N 1 3 227.311 1.953 50 0 BDAAHO Cc1cccc(N2C(=[NH2+])NC(=N)NC2(C)C)c1 ZINC000017025533 132323873 /nfs/dbraw/zinc/32/38/73/132323873.db2.gz VODVTOKGXQMTDK-UHFFFAOYSA-N 1 3 231.303 1.181 50 0 BDAAHO CCOCCCN1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000169616687 170375258 /nfs/dbraw/zinc/37/52/58/170375258.db2.gz AMSJCLFYWQBSTK-WDEREUQCSA-N 1 3 200.326 1.082 50 0 BDAAHO C[NH2+]Cc1ccccc1OCCN(C)C ZINC000012370453 173390371 /nfs/dbraw/zinc/39/03/71/173390371.db2.gz WHBYXCTXAOHVPI-UHFFFAOYSA-N 1 3 208.305 1.346 50 0 BDAAHO CNCc1ccccc1OCC[NH+](C)C ZINC000012370453 173390372 /nfs/dbraw/zinc/39/03/72/173390372.db2.gz WHBYXCTXAOHVPI-UHFFFAOYSA-N 1 3 208.305 1.346 50 0 BDAAHO COCC[N@H+](C)CC[C@@H](N)c1ccccc1 ZINC000042460290 174279350 /nfs/dbraw/zinc/27/93/50/174279350.db2.gz KKNYJWAJPJRWHC-CYBMUJFWSA-N 1 3 222.332 1.655 50 0 BDAAHO COCC[N@@H+](C)CC[C@@H](N)c1ccccc1 ZINC000042460290 174279352 /nfs/dbraw/zinc/27/93/52/174279352.db2.gz KKNYJWAJPJRWHC-CYBMUJFWSA-N 1 3 222.332 1.655 50 0 BDAAHO Cc1cc2c[nH]nc2cc1[C@H]1NCCC[C@@H]1C[NH3+] ZINC000757212123 586438782 /nfs/dbraw/zinc/43/87/82/586438782.db2.gz LZUFYKYGKBUOOE-YGRLFVJLSA-N 1 3 244.342 1.871 50 0 BDAAHO CN1CCC(Oc2ccccc2C[NH3+])CC1 ZINC000014001500 342875555 /nfs/dbraw/zinc/87/55/55/342875555.db2.gz KVYUTSVSMUBLEG-UHFFFAOYSA-N 1 3 220.316 1.618 50 0 BDAAHO CN(CC[C@@H]1CCCC[NH2+]1)CC1CCOCC1 ZINC000042783341 343452828 /nfs/dbraw/zinc/45/28/28/343452828.db2.gz GHWRNNMNOVUCDF-AWEZNQCLSA-N 1 3 240.391 1.877 50 0 BDAAHO C[N@H+](CC[C@@H]1CCCCN1)CC1CCOCC1 ZINC000042783341 343452831 /nfs/dbraw/zinc/45/28/31/343452831.db2.gz GHWRNNMNOVUCDF-AWEZNQCLSA-N 1 3 240.391 1.877 50 0 BDAAHO C[N@@H+](CC[C@@H]1CCCCN1)CC1CCOCC1 ZINC000042783341 343452834 /nfs/dbraw/zinc/45/28/34/343452834.db2.gz GHWRNNMNOVUCDF-AWEZNQCLSA-N 1 3 240.391 1.877 50 0 BDAAHO Cc1nccn1CCCN1C[C@H]2CC[C@@H](C1)[C@H]2[NH3+] ZINC000252505397 180240651 /nfs/dbraw/zinc/24/06/51/180240651.db2.gz VQSMQUIPMDXRGO-WDNDVIMCSA-N 1 3 248.374 1.251 50 0 BDAAHO [NH3+]CC1CCN(Cc2ccsc2)CC1 ZINC000036866962 181365248 /nfs/dbraw/zinc/36/52/48/181365248.db2.gz OZYFSDHOPWMWMA-UHFFFAOYSA-N 1 3 210.346 1.919 50 0 BDAAHO CCC[NH+]1CCC(N[C@H](C)COC)CC1 ZINC000003683481 169189140 /nfs/dbraw/zinc/18/91/40/169189140.db2.gz NSXIIDDYXDGIDB-LLVKDONJSA-N 1 3 214.353 1.485 50 0 BDAAHO c1cc2c(cc1C[NH+]1CCCC1)CNCCO2 ZINC000169676637 183367675 /nfs/dbraw/zinc/36/76/75/183367675.db2.gz AHIYQHNKUUPEGU-UHFFFAOYSA-N 1 3 232.327 1.764 50 0 BDAAHO c1cncc(CN2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000071751482 383899560 /nfs/dbraw/zinc/89/95/60/383899560.db2.gz XVKLBIHHYYUJMV-OAHLLOKOSA-N 1 3 245.370 1.903 50 0 BDAAHO C[NH2+][C@H]1CCCC[C@@H]1N(C)C1CCN(C)CC1 ZINC000043815240 384302986 /nfs/dbraw/zinc/30/29/86/384302986.db2.gz SQXROZHTTFVFOL-KBPBESRZSA-N 1 3 239.407 1.543 50 0 BDAAHO CN1CCC2(CC1)C[C@H]1C[C@H]3C=C[C@]1(C[NH2+]2)O3 ZINC000003905451 173001966 /nfs/dbraw/zinc/00/19/66/173001966.db2.gz IOXUZCGQDWCBPF-YRGRVCCFSA-N 1 3 234.343 1.158 50 0 biogenic BDAAHO C[NH+]1CCC2(CC1)C[C@H]1C[C@H]3C=C[C@]1(CN2)O3 ZINC000003905451 173001967 /nfs/dbraw/zinc/00/19/67/173001967.db2.gz IOXUZCGQDWCBPF-YRGRVCCFSA-N 1 3 234.343 1.158 50 0 biogenic BDAAHO C[C@H]1C[C@@H]([NH3+])CCN1Cc1ccccc1 ZINC000049708371 177327113 /nfs/dbraw/zinc/32/71/13/177327113.db2.gz ZXRSAZKEWVLRNS-AAEUAGOBSA-N 1 3 204.317 1.998 50 0 BDAAHO C[C@H]1C[C@H](C[NH3+])CN1Cc1ccccc1 ZINC000082164329 177361346 /nfs/dbraw/zinc/36/13/46/177361346.db2.gz BIDKDUYMXXPICF-WCQYABFASA-N 1 3 204.317 1.856 50 0 BDAAHO C[C@H]1C[C@H](CN)C[N@@H+]1Cc1ccccc1 ZINC000082164329 177361348 /nfs/dbraw/zinc/36/13/48/177361348.db2.gz BIDKDUYMXXPICF-WCQYABFASA-N 1 3 204.317 1.856 50 0 BDAAHO C[C@H]1C[C@H](CN)C[N@H+]1Cc1ccccc1 ZINC000082164329 177361350 /nfs/dbraw/zinc/36/13/50/177361350.db2.gz BIDKDUYMXXPICF-WCQYABFASA-N 1 3 204.317 1.856 50 0 BDAAHO C[C@H]1C[C@H]([NH3+])CCN1Cc1ccccc1 ZINC000049708368 177364966 /nfs/dbraw/zinc/36/49/66/177364966.db2.gz ZXRSAZKEWVLRNS-WCQYABFASA-N 1 3 204.317 1.998 50 0 BDAAHO Cc1cc2c[nH]nc2cc1[C@H]1CC[C@@H](C[NH3+])CN1 ZINC000757210016 586438232 /nfs/dbraw/zinc/43/82/32/586438232.db2.gz HCLMNDGTICJDNW-GXFFZTMASA-N 1 3 244.342 1.871 50 0 BDAAHO Cc1cc2c[nH]nc2cc1[C@@H]1CC[C@@H](C[NH3+])CN1 ZINC000757210012 586438564 /nfs/dbraw/zinc/43/85/64/586438564.db2.gz HCLMNDGTICJDNW-GWCFXTLKSA-N 1 3 244.342 1.871 50 0 BDAAHO COc1cc(C[NH3+])ccc1OCCN(C)C ZINC000011886905 342843938 /nfs/dbraw/zinc/84/39/38/342843938.db2.gz NVNKSCOESHKPSQ-UHFFFAOYSA-N 1 3 224.304 1.094 50 0 BDAAHO Cc1ccccc1CN1CC[C@@H](C[NH3+])C1 ZINC000054956874 179275093 /nfs/dbraw/zinc/27/50/93/179275093.db2.gz UPZHRTDWMNFMBY-LBPRGKRZSA-N 1 3 204.317 1.776 50 0 BDAAHO CSc1cccc(NC(=N)NC(N)=[NH2+])c1 ZINC000001017821 350979353 /nfs/dbraw/zinc/97/93/53/350979353.db2.gz FCGNLCQMAKNXIW-UHFFFAOYSA-N 1 3 223.305 1.238 50 0 BDAAHO C[NH+]1CCC(C)(CNCc2ccns2)CC1 ZINC000404412388 363060216 /nfs/dbraw/zinc/06/02/16/363060216.db2.gz AHTVODFRYHPDIP-UHFFFAOYSA-N 1 3 239.388 1.965 50 0 BDAAHO NC(=[NH2+])c1cccc(CN2CCCCC2)c1 ZINC000019488551 181195887 /nfs/dbraw/zinc/19/58/87/181195887.db2.gz SSYQUUOYPACNDI-UHFFFAOYSA-N 1 3 217.316 1.957 50 0 BDAAHO [NH3+]C1CCN(CCc2ccccc2)CC1 ZINC000002524911 181343739 /nfs/dbraw/zinc/34/37/39/181343739.db2.gz BCEKLYJIVXGPLQ-UHFFFAOYSA-N 1 3 204.317 1.652 50 0 BDAAHO [NH3+]CCCN1CC[C@@H](c2ccccc2)C1 ZINC000008737717 181380835 /nfs/dbraw/zinc/38/08/35/181380835.db2.gz ZVWBNKZIXYWKTC-CYBMUJFWSA-N 1 3 204.317 1.825 50 0 BDAAHO NCCC[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000008737717 181380836 /nfs/dbraw/zinc/38/08/36/181380836.db2.gz ZVWBNKZIXYWKTC-CYBMUJFWSA-N 1 3 204.317 1.825 50 0 BDAAHO NCCC[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000008737717 181380837 /nfs/dbraw/zinc/38/08/37/181380837.db2.gz ZVWBNKZIXYWKTC-CYBMUJFWSA-N 1 3 204.317 1.825 50 0 BDAAHO c1ccc(CN2CC3(C2)CC[NH2+]CC3)cc1 ZINC000038530197 183397263 /nfs/dbraw/zinc/39/72/63/183397263.db2.gz JMPAPQYBLUHNQT-UHFFFAOYSA-N 1 3 216.328 1.872 50 0 BDAAHO c1ccc(CN2C[C@H]3C[NH2+]CC[C@@H]3C2)cc1 ZINC000004203957 384045028 /nfs/dbraw/zinc/04/50/28/384045028.db2.gz VZMAYQMDXZLZFZ-ZIAGYGMSSA-N 1 3 216.328 1.728 50 0 BDAAHO c1ccc(C[N@H+]2C[C@H]3CNCC[C@@H]3C2)cc1 ZINC000004203957 384045033 /nfs/dbraw/zinc/04/50/33/384045033.db2.gz VZMAYQMDXZLZFZ-ZIAGYGMSSA-N 1 3 216.328 1.728 50 0 BDAAHO c1ccc(C[N@@H+]2C[C@H]3CNCC[C@@H]3C2)cc1 ZINC000004203957 384045036 /nfs/dbraw/zinc/04/50/36/384045036.db2.gz VZMAYQMDXZLZFZ-ZIAGYGMSSA-N 1 3 216.328 1.728 50 0 BDAAHO C[C@H]([NH2+]CC[C@@H]1CCCN1C)C1CCOCC1 ZINC000096492058 385229909 /nfs/dbraw/zinc/22/99/09/385229909.db2.gz MTVSZIOPBPOQPB-JSGCOSHPSA-N 1 3 240.391 1.875 50 0 BDAAHO CCN(CC)CCC[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000191546414 387486822 /nfs/dbraw/zinc/48/68/22/387486822.db2.gz BFFKLVCATGLHKG-CQSZACIVSA-N 1 3 240.391 1.831 50 0 BDAAHO CCN(CC)CCC[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000191546414 387486827 /nfs/dbraw/zinc/48/68/27/387486827.db2.gz BFFKLVCATGLHKG-CQSZACIVSA-N 1 3 240.391 1.831 50 0 BDAAHO CCOC(=O)[C@@H]1CCC[N@@H+](C2CCNCC2)C1 ZINC000004312829 170258498 /nfs/dbraw/zinc/25/84/98/170258498.db2.gz NCCMYMPJFQWVCO-LLVKDONJSA-N 1 3 240.347 1.014 50 0 in-vitro BDAAHO CCOC(=O)[C@@H]1CCC[N@H+](C2CCNCC2)C1 ZINC000004312829 170258499 /nfs/dbraw/zinc/25/84/99/170258499.db2.gz NCCMYMPJFQWVCO-LLVKDONJSA-N 1 3 240.347 1.014 50 0 in-vitro BDAAHO Cn1c2c(c3c1CC[N@H+](C)C3)CN(C)CC2 ZINC000000488738 173169382 /nfs/dbraw/zinc/16/93/82/173169382.db2.gz IFSHPVVQGNXQAD-UHFFFAOYSA-N 1 3 219.332 1.001 50 0 biogenic BDAAHO Cn1c2c(c3c1CC[N@@H+](C)C3)CN(C)CC2 ZINC000000488738 173169383 /nfs/dbraw/zinc/16/93/83/173169383.db2.gz IFSHPVVQGNXQAD-UHFFFAOYSA-N 1 3 219.332 1.001 50 0 biogenic BDAAHO C[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000019669819 173337772 /nfs/dbraw/zinc/33/77/72/173337772.db2.gz QXXZHEYBDRVIDH-UHFFFAOYSA-N 1 3 234.343 1.233 50 0 BDAAHO COc1cccc(CN2CCC(C[NH3+])CC2)c1 ZINC000011889016 175256718 /nfs/dbraw/zinc/25/67/18/175256718.db2.gz KPHVUQOITVRPOE-UHFFFAOYSA-N 1 3 234.343 1.866 50 0 BDAAHO COc1ccc2c(c1)nccc2N1CC[NH2+]CC1 ZINC000002577928 537019910 /nfs/dbraw/zinc/01/99/10/537019910.db2.gz UROPJUHDMCQLHY-UHFFFAOYSA-N 1 3 243.310 1.653 50 0 BDAAHO Cc1ccc2n[nH]cc2c1[C@@H]1[NH2+]C[C@H](N)C[C@@H]1C ZINC000757208750 582559745 /nfs/dbraw/zinc/55/97/45/582559745.db2.gz DAXRXQLVNFBKKN-IMSIIYSGSA-N 1 3 244.342 1.869 50 0 BDAAHO Cc1ccc2n[nH]cc2c1[C@@H]1CNC[C@H]([NH3+])C1 ZINC000757213664 586439820 /nfs/dbraw/zinc/43/98/20/586439820.db2.gz QMJLECHKIBNFFM-VHSXEESVSA-N 1 3 230.315 1.276 50 0 BDAAHO Cc1ccc2n[nH]cc2c1[C@H]1CCNC[C@@H]1[NH3+] ZINC000757213848 712583152 /nfs/dbraw/zinc/58/31/52/712583152.db2.gz RHBKAVMFHZSMQX-ONGXEEELSA-N 1 3 230.315 1.276 50 0 BDAAHO