smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H](C[NH+]1CCCCC1)Nc1ccncc1 ZINC000049502227 1171703136 /nfs/dbraw/zinc/70/31/36/1171703136.db2.gz IIXCWAGIFABRNM-GFCCVEGCSA-N 1 3 219.332 2.368 10 0 BEAEHO Cc1cc(C[NH2+]C[C@H]2CCN(C)C2)c(C)s1 ZINC000049686696 178024221 /nfs/dbraw/zinc/02/42/21/178024221.db2.gz XIDDBEJZAZIJHQ-GFCCVEGCSA-N 1 3 238.400 2.406 10 0 BEAEHO CCC(CC)N(CCOC)CC[C@H]1CCC[NH2+]1 ZINC000042681746 168373716 /nfs/dbraw/zinc/37/37/16/168373716.db2.gz WYHAQCOTBIFSJF-CYBMUJFWSA-N 1 3 242.407 2.266 10 0 BEAEHO CC(C)[C@H](NCCC[NH3+])c1ccccc1 ZINC000037713844 342943414 /nfs/dbraw/zinc/94/34/14/342943414.db2.gz UCJQOJXAQJWWKF-ZDUSSCGKSA-N 1 3 206.333 2.322 10 0 BEAEHO CC[NH+](CC)[C@@H]1CCN[C@@H]2CCCC[C@@H]21 ZINC000584881476 343082377 /nfs/dbraw/zinc/08/23/77/343082377.db2.gz JCGFRKQGIOOYFC-YNEHKIRRSA-N 1 3 210.365 2.249 10 0 BEAEHO CSc1ccc([C@@H](C)NCCC[NH3+])cc1 ZINC000037713437 187253451 /nfs/dbraw/zinc/25/34/51/187253451.db2.gz VNHJZXURNGGIFM-SNVBAGLBSA-N 1 3 224.373 2.408 10 0 BEAEHO C[C@@H]1[C@H]2C[N@H+](C)C[C@@H]2CN1Cc1ccccc1 ZINC000409431591 343824224 /nfs/dbraw/zinc/82/42/24/343824224.db2.gz RJPWPILRMFONAL-BPLDGKMQSA-N 1 3 230.355 2.069 10 0 BEAEHO C[C@@H]1[C@H]2C[N@@H+](C)C[C@@H]2CN1Cc1ccccc1 ZINC000409431591 343824227 /nfs/dbraw/zinc/82/42/27/343824227.db2.gz RJPWPILRMFONAL-BPLDGKMQSA-N 1 3 230.355 2.069 10 0 BEAEHO C[C@@H]1[C@@H]2C[N@H+](C)C[C@H]2CN1Cc1ccccc1 ZINC000409431594 343824266 /nfs/dbraw/zinc/82/42/66/343824266.db2.gz RJPWPILRMFONAL-SNPRPXQTSA-N 1 3 230.355 2.069 10 0 BEAEHO C[C@@H]1[C@@H]2C[N@@H+](C)C[C@H]2CN1Cc1ccccc1 ZINC000409431594 343824269 /nfs/dbraw/zinc/82/42/69/343824269.db2.gz RJPWPILRMFONAL-SNPRPXQTSA-N 1 3 230.355 2.069 10 0 BEAEHO CC(F)(F)[C@@H]1CCC[N@@H+](C2CCNCC2)C1 ZINC000409433743 343830405 /nfs/dbraw/zinc/83/04/05/343830405.db2.gz ZCLVLDDEXOKHAG-SNVBAGLBSA-N 1 3 232.318 2.106 10 0 BEAEHO CC(F)(F)[C@@H]1CCC[N@H+](C2CCNCC2)C1 ZINC000409433743 343830407 /nfs/dbraw/zinc/83/04/07/343830407.db2.gz ZCLVLDDEXOKHAG-SNVBAGLBSA-N 1 3 232.318 2.106 10 0 BEAEHO CCCN1CC[C@H]([NH2+]CC(C)C)[C@@H](C)C1 ZINC000226858254 534958033 /nfs/dbraw/zinc/95/80/33/534958033.db2.gz RRNQJHWAOWCJDL-STQMWFEESA-N 1 3 212.381 2.352 10 0 BEAEHO CCOc1ccc(CN2C[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000634999848 345201353 /nfs/dbraw/zinc/20/13/53/345201353.db2.gz AQURBSVDWVUSQA-JSGCOSHPSA-N 1 3 248.370 2.112 10 0 BEAEHO C[C@H]([NH2+][C@@H]1CCCC12CC2)[C@@H]1CCCNC1 ZINC000634998035 345202555 /nfs/dbraw/zinc/20/25/55/345202555.db2.gz ZHZYUFMZEFIQQX-YNEHKIRRSA-N 1 3 222.376 2.297 10 0 BEAEHO Cc1cccc(CC[C@@H](C)[NH2+]CCCN)c1 ZINC000040500795 179061891 /nfs/dbraw/zinc/06/18/91/179061891.db2.gz HUMHBPLDMKJIEG-CYBMUJFWSA-N 1 3 220.360 2.255 10 0 BEAEHO Cc1cccc(CC[C@H](C)[NH2+]CCCN)c1 ZINC000040500796 179062253 /nfs/dbraw/zinc/06/22/53/179062253.db2.gz HUMHBPLDMKJIEG-ZDUSSCGKSA-N 1 3 220.360 2.255 10 0 BEAEHO CCN1CC[C@H](C[NH3+])[C@H]1c1ccsc1 ZINC000250321182 362799525 /nfs/dbraw/zinc/79/95/25/362799525.db2.gz NELRLMCURWMTCL-KOLCDFICSA-N 1 3 210.346 2.090 10 0 BEAEHO CCN1CC[C@@H](C[NH3+])[C@H]1c1cccs1 ZINC000250346048 362799574 /nfs/dbraw/zinc/79/95/74/362799574.db2.gz QLFKYTPQXNLPEE-ONGXEEELSA-N 1 3 210.346 2.090 10 0 BEAEHO Cc1ccccc1[C@H](C)[N@@H+]1CCCNCC1 ZINC000022100908 179334356 /nfs/dbraw/zinc/33/43/56/179334356.db2.gz WJUIMHAJTSIFDX-ZDUSSCGKSA-N 1 3 218.344 2.351 10 0 BEAEHO Cc1ccccc1[C@H](C)[N@H+]1CCCNCC1 ZINC000022100908 179334357 /nfs/dbraw/zinc/33/43/57/179334357.db2.gz WJUIMHAJTSIFDX-ZDUSSCGKSA-N 1 3 218.344 2.351 10 0 BEAEHO CN1CCC[C@@H](C[NH3+])[C@@H]1c1ccccc1 ZINC000068590139 191002514 /nfs/dbraw/zinc/00/25/14/191002514.db2.gz XORZBVQTSUNZOY-STQMWFEESA-N 1 3 204.317 2.028 10 0 BEAEHO Cc1nc2ccc(N[C@@H]3CCC[N@@H+](C)C3)cc2[nH]1 ZINC000075184395 180095860 /nfs/dbraw/zinc/09/58/60/180095860.db2.gz STLXGWQEALCTGQ-GFCCVEGCSA-N 1 3 244.342 2.377 10 0 BEAEHO Cc1nc2ccc(N[C@@H]3CCC[N@H+](C)C3)cc2[nH]1 ZINC000075184395 180095861 /nfs/dbraw/zinc/09/58/61/180095861.db2.gz STLXGWQEALCTGQ-GFCCVEGCSA-N 1 3 244.342 2.377 10 0 BEAEHO C[NH2+]C[C@H](CN)Cc1cccc2ccccc21 ZINC000725269311 538101252 /nfs/dbraw/zinc/10/12/52/538101252.db2.gz PRYJMKBMPWIGJT-LBPRGKRZSA-N 1 3 228.339 2.177 10 0 BEAEHO CNC[C@H](C[NH3+])Cc1cccc2ccccc21 ZINC000725269311 538101253 /nfs/dbraw/zinc/10/12/53/538101253.db2.gz PRYJMKBMPWIGJT-LBPRGKRZSA-N 1 3 228.339 2.177 10 0 BEAEHO CC[C@H](C)C[NH2+][C@@]12CCN[C@H]1CCCC2 ZINC000725272147 538103776 /nfs/dbraw/zinc/10/37/76/538103776.db2.gz MZGLISZHZVHNPD-AVGNSLFASA-N 1 3 210.365 2.297 10 0 BEAEHO C1C[C@H]2[C@@H](C1)[C@@H]1C[C@H]2C[C@H]1[NH2+]C1CCNCC1 ZINC000216497663 188008676 /nfs/dbraw/zinc/00/86/76/188008676.db2.gz FYSHNMXGDMHXBU-INMIOYRUSA-N 1 3 234.387 2.153 10 0 BEAEHO CN(Cc1ccccc1)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000223109913 353136487 /nfs/dbraw/zinc/13/64/87/353136487.db2.gz RGEJNWVOHDUDKB-KGLIPLIRSA-N 1 3 218.344 2.388 10 0 BEAEHO CCOc1ccc([C@@H](C)NCCC[NH3+])cc1 ZINC000037713276 358476705 /nfs/dbraw/zinc/47/67/05/358476705.db2.gz ACGYDNOMESKALD-LLVKDONJSA-N 1 3 222.332 2.085 10 0 BEAEHO Cc1ccc(C)c(C[NH2+]C[C@H]2CCN(C)C2)c1 ZINC000049256740 188298338 /nfs/dbraw/zinc/29/83/38/188298338.db2.gz ZHUDNGYJPMRLQG-CQSZACIVSA-N 1 3 232.371 2.345 10 0 BEAEHO Cc1ccc(C)c(CNC[C@H]2CC[N@@H+](C)C2)c1 ZINC000049256740 188298342 /nfs/dbraw/zinc/29/83/42/188298342.db2.gz ZHUDNGYJPMRLQG-CQSZACIVSA-N 1 3 232.371 2.345 10 0 BEAEHO Cc1ccc(C)c(CNC[C@H]2CC[N@H+](C)C2)c1 ZINC000049256740 188298344 /nfs/dbraw/zinc/29/83/44/188298344.db2.gz ZHUDNGYJPMRLQG-CQSZACIVSA-N 1 3 232.371 2.345 10 0 BEAEHO CC(C)N(C)CC[C@@H]([NH3+])c1ccccc1 ZINC000020073243 188351883 /nfs/dbraw/zinc/35/18/83/188351883.db2.gz VBBDPXPUDTVQKQ-CYBMUJFWSA-N 1 3 206.333 2.417 10 0 BEAEHO CCCCN1CC[C@@H]([NH2+]C(C)C)[C@H](C)C1 ZINC000073654114 188368126 /nfs/dbraw/zinc/36/81/26/188368126.db2.gz GZFFYQUFKQSBIG-CHWSQXEVSA-N 1 3 212.381 2.495 10 0 BEAEHO [NH2+]=C(N[C@H]1CCN2CCCC[C@H]12)C1CCCC1 ZINC000062993327 181199585 /nfs/dbraw/zinc/19/95/85/181199585.db2.gz MAYMVDJYHZCYKB-QWHCGFSZSA-N 1 3 235.375 2.370 10 0 BEAEHO N=C1c2ccccc2CN1[C@@H]1CC[N@@H+]2CCC[C@H]12 ZINC000049568789 181207658 /nfs/dbraw/zinc/20/76/58/181207658.db2.gz LBVVYPBMGIKTEE-ZIAGYGMSSA-N 1 3 241.338 2.064 10 0 BEAEHO N=C1c2ccccc2CN1[C@@H]1CC[N@H+]2CCC[C@H]12 ZINC000049568789 181207659 /nfs/dbraw/zinc/20/76/59/181207659.db2.gz LBVVYPBMGIKTEE-ZIAGYGMSSA-N 1 3 241.338 2.064 10 0 BEAEHO C[C@H]([NH2+][C@@H]1CC=CCC1)[C@@H]1CCCNC1 ZINC000582540710 357338835 /nfs/dbraw/zinc/33/88/35/357338835.db2.gz WVTAZOXEQXNWFF-YNEHKIRRSA-N 1 3 208.349 2.073 10 0 BEAEHO C[C@H]([NH2+][C@H]1CC=CCC1)[C@H]1CCCNC1 ZINC000582540707 357338852 /nfs/dbraw/zinc/33/88/52/357338852.db2.gz WVTAZOXEQXNWFF-AVGNSLFASA-N 1 3 208.349 2.073 10 0 BEAEHO C[C@H]([NH2+]C[C@H]1CCC[C@H]1C)[C@@H]1CCCNC1 ZINC000583018742 357450093 /nfs/dbraw/zinc/45/00/93/357450093.db2.gz MUQZJNWSWYYFQJ-XJFOESAGSA-N 1 3 224.392 2.400 10 0 BEAEHO C[C@@H]1CNC[C@@H](C)C1[N@@H+]1CCCC[C@H]1C ZINC000685951046 538894786 /nfs/dbraw/zinc/89/47/86/538894786.db2.gz MIQVNLQGAQUFAL-IJLUTSLNSA-N 1 3 210.365 2.105 10 0 BEAEHO C[C@@H]1CNC[C@@H](C)C1[N@H+]1CCCC[C@H]1C ZINC000685951046 538894787 /nfs/dbraw/zinc/89/47/87/538894787.db2.gz MIQVNLQGAQUFAL-IJLUTSLNSA-N 1 3 210.365 2.105 10 0 BEAEHO C[C@H]([NH2+]CC1CC(C)C1)[C@H]1CCCNC1 ZINC000622044514 370677522 /nfs/dbraw/zinc/67/75/22/370677522.db2.gz IWBTWSACQVMNDR-MVKMKZAISA-N 1 3 210.365 2.010 10 0 BEAEHO CO[C@@H]1CN(C[C@@H](C)CC(C)C)[C@@](C)(C[NH3+])C1 ZINC000630370015 364088212 /nfs/dbraw/zinc/08/82/12/364088212.db2.gz YJAYDCHHHZHORS-MELADBBJSA-N 1 3 242.407 2.107 10 0 BEAEHO C[C@H]1CN(c2ccnc3ccccc32)C[C@@H]1C[NH3+] ZINC000630569900 364264396 /nfs/dbraw/zinc/26/43/96/364264396.db2.gz KHRGEUAJCSIVIG-RYUDHWBXSA-N 1 3 241.338 2.266 10 0 BEAEHO NCC1([C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000083328857 181361340 /nfs/dbraw/zinc/36/13/40/181361340.db2.gz YOKRXLVIVZAHGM-AWEZNQCLSA-N 1 3 230.355 2.390 10 0 BEAEHO NCC1([C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000083328857 181361342 /nfs/dbraw/zinc/36/13/42/181361342.db2.gz YOKRXLVIVZAHGM-AWEZNQCLSA-N 1 3 230.355 2.390 10 0 BEAEHO CC[C@@H]1C[C@H]1C[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000573830847 364927215 /nfs/dbraw/zinc/92/72/15/364927215.db2.gz MUHIGRQFCISIOV-LPWJVIDDSA-N 1 3 210.365 2.010 10 0 BEAEHO [NH3+]CCCN[C@@H](c1ccc(F)cc1)C1CC1 ZINC000037713857 181383218 /nfs/dbraw/zinc/38/32/18/181383218.db2.gz KLFYPKWBHPWBLP-CYBMUJFWSA-N 1 3 222.307 2.215 10 0 BEAEHO [NH3+]CCCNCc1ccc2ccccc2c1 ZINC000013440099 181383912 /nfs/dbraw/zinc/38/39/12/181383912.db2.gz LJAAVUZYHYDXMK-UHFFFAOYSA-N 1 3 214.312 2.278 10 0 BEAEHO CC(C)OCCCC[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000575172842 365227362 /nfs/dbraw/zinc/22/73/62/365227362.db2.gz LPQZRSNQVUXYGO-ZIAGYGMSSA-N 1 3 242.407 2.169 10 0 BEAEHO C[C@@H]1C[C@H]([NH+]2[C@H](C)CCC[C@H]2C)CCN1 ZINC000675056245 541462305 /nfs/dbraw/zinc/46/23/05/541462305.db2.gz NBIOJMORQJJEIV-FDYHWXHSSA-N 1 3 210.365 2.390 10 0 BEAEHO CN1CCC[C@@H](C[NH3+])[C@H]1c1ccccc1 ZINC000101381545 368383716 /nfs/dbraw/zinc/38/37/16/368383716.db2.gz XORZBVQTSUNZOY-QWHCGFSZSA-N 1 3 204.317 2.028 10 0 BEAEHO C[C@@H]1C[N@H+](C[C@@H]2CCCCC2(F)F)C[C@H]1CN ZINC000631837819 369103441 /nfs/dbraw/zinc/10/34/41/369103441.db2.gz XLUNVEKWODRWFX-UTUOFQBUSA-N 1 3 246.345 2.339 10 0 BEAEHO C[C@@H]1C[N@@H+](C[C@@H]2CCCCC2(F)F)C[C@H]1CN ZINC000631837819 369103445 /nfs/dbraw/zinc/10/34/45/369103445.db2.gz XLUNVEKWODRWFX-UTUOFQBUSA-N 1 3 246.345 2.339 10 0 BEAEHO C[C@@H]1C[N@H+](C[C@@H]2CCCC[C@H]2C)C[C@@H]1CN ZINC000631837321 369096500 /nfs/dbraw/zinc/09/65/00/369096500.db2.gz QSJAIXGKHHEXPK-MQYQWHSLSA-N 1 3 224.392 2.339 10 0 BEAEHO C[C@@H]1C[N@@H+](C[C@@H]2CCCC[C@H]2C)C[C@@H]1CN ZINC000631837321 369096508 /nfs/dbraw/zinc/09/65/08/369096508.db2.gz QSJAIXGKHHEXPK-MQYQWHSLSA-N 1 3 224.392 2.339 10 0 BEAEHO CCC[C@@](C)(N)C[NH2+]Cc1ccccc1 ZINC000040409851 373241254 /nfs/dbraw/zinc/24/12/54/373241254.db2.gz LLKFQUGOKPIDRT-CYBMUJFWSA-N 1 3 206.333 2.294 10 0 BEAEHO CCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(C)C ZINC000054627123 169255562 /nfs/dbraw/zinc/25/55/62/169255562.db2.gz NPNAWPPWCJUFFO-YHWZYXNKSA-N 1 3 210.365 2.390 10 0 BEAEHO CCC[NH2+]C[C@@H]1CCCN(CC(C)C)C1 ZINC000053654598 169262039 /nfs/dbraw/zinc/26/20/39/169262039.db2.gz SIRDCSHDTFKMJH-ZDUSSCGKSA-N 1 3 212.381 2.354 10 0 BEAEHO CCC[NH2+]Cc1cccc(OCCN(C)C)c1 ZINC000033465878 169268105 /nfs/dbraw/zinc/26/81/05/169268105.db2.gz XLCUKHAXSNUKAY-UHFFFAOYSA-N 1 3 236.359 2.127 10 0 BEAEHO c1ccc(CN2CC(CC[NH2+]C3CC3)C2)cc1 ZINC000095082343 183396965 /nfs/dbraw/zinc/39/69/65/183396965.db2.gz WJUYWFSJZWFMLH-UHFFFAOYSA-N 1 3 230.355 2.261 10 0 BEAEHO CS[C@H]1CCCC[N@H+](C[C@H]2CCCNC2)C1 ZINC000336460626 383951974 /nfs/dbraw/zinc/95/19/74/383951974.db2.gz OMKRDNQHACRNCX-STQMWFEESA-N 1 3 242.432 2.204 10 0 BEAEHO CS[C@H]1CCCC[N@@H+](C[C@H]2CCCNC2)C1 ZINC000336460626 383951978 /nfs/dbraw/zinc/95/19/78/383951978.db2.gz OMKRDNQHACRNCX-STQMWFEESA-N 1 3 242.432 2.204 10 0 BEAEHO CN(C)[C@@H]1CC[C@H]([NH2+]C2CC(C)(C)C2)C1 ZINC000309038338 384392421 /nfs/dbraw/zinc/39/24/21/384392421.db2.gz JOSLALXYAPVKEH-CMPLNLGQSA-N 1 3 210.365 2.247 10 0 BEAEHO FC1(F)CCCC[C@H]1C[NH2+]C1CCNCC1 ZINC000335664489 384480003 /nfs/dbraw/zinc/48/00/03/384480003.db2.gz SMIIFNUXOWEHGN-JTQLQIEISA-N 1 3 232.318 2.154 10 0 BEAEHO FC1(F)CCCC[C@H]1CNC1CC[NH2+]CC1 ZINC000335664489 384480008 /nfs/dbraw/zinc/48/00/08/384480008.db2.gz SMIIFNUXOWEHGN-JTQLQIEISA-N 1 3 232.318 2.154 10 0 BEAEHO CCc1ccc([C@@H](C)NCCC[NH3+])cc1 ZINC000037713401 384513970 /nfs/dbraw/zinc/51/39/70/384513970.db2.gz SDOWTXNIRXJSOR-LLVKDONJSA-N 1 3 206.333 2.248 10 0 BEAEHO C[C@H](C[NH2+][C@@H]1CCC[C@@H]1CCF)CN(C)C ZINC000336733737 385644643 /nfs/dbraw/zinc/64/46/43/385644643.db2.gz GQXPWPNLKYKCOL-JHJVBQTASA-N 1 3 230.371 2.302 10 0 BEAEHO C[C@@H](Cc1ccc(Cl)cc1)[NH2+]CCCN ZINC000211682415 385750026 /nfs/dbraw/zinc/75/00/26/385750026.db2.gz ZDTNSAPHMKGVND-JTQLQIEISA-N 1 3 226.751 2.209 10 0 BEAEHO C[C@@H](Cc1ccc(Cl)cc1)NCCC[NH3+] ZINC000211682415 385750030 /nfs/dbraw/zinc/75/00/30/385750030.db2.gz ZDTNSAPHMKGVND-JTQLQIEISA-N 1 3 226.751 2.209 10 0 BEAEHO C[C@H](C[NH2+][C@@H](C)[C@H]1CCCNC1)CC(F)F ZINC000647801108 385810275 /nfs/dbraw/zinc/81/02/75/385810275.db2.gz OBUYLOOQRQVZKU-DCAQKATOSA-N 1 3 234.334 2.255 10 0 BEAEHO C[N@H+](Cc1ccccc1)[C@@H]1CCCC[C@H]1N ZINC000040449156 386199509 /nfs/dbraw/zinc/19/95/09/386199509.db2.gz FTAQCJUQTAEZTC-ZIAGYGMSSA-N 1 3 218.344 2.388 10 0 BEAEHO C[N@@H+](Cc1ccccc1)[C@@H]1CCCC[C@H]1N ZINC000040449156 386199515 /nfs/dbraw/zinc/19/95/15/386199515.db2.gz FTAQCJUQTAEZTC-ZIAGYGMSSA-N 1 3 218.344 2.388 10 0 BEAEHO C[C@H]([NH2+]C1C2CC3CC(C2)CC1C3)C1CNC1 ZINC000335010766 387106781 /nfs/dbraw/zinc/10/67/81/387106781.db2.gz PGTCABZRYLTPGK-HQODWTRASA-N 1 3 234.387 2.009 10 0 BEAEHO FC1(F)CC[C@@H](C[NH2+][C@@H]2CCCNCC2)C1 ZINC000335029633 387124769 /nfs/dbraw/zinc/12/47/69/387124769.db2.gz OTBFFQUZKAVJLU-GHMZBOCLSA-N 1 3 232.318 2.154 10 0 BEAEHO FC1(F)CC[C@H](C[NH2+][C@@H]2CCCNCC2)C1 ZINC000335030041 387124883 /nfs/dbraw/zinc/12/48/83/387124883.db2.gz OTBFFQUZKAVJLU-WDEREUQCSA-N 1 3 232.318 2.154 10 0 BEAEHO FC1(F)CC[C@@H](C[NH2+][C@H]2CCCNCC2)C1 ZINC000335030038 387124943 /nfs/dbraw/zinc/12/49/43/387124943.db2.gz OTBFFQUZKAVJLU-MNOVXSKESA-N 1 3 232.318 2.154 10 0 BEAEHO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC1CNC1 ZINC000423302183 387135654 /nfs/dbraw/zinc/13/56/54/387135654.db2.gz JEJYIQVZLPFBOE-XBFCOCLRSA-N 1 3 224.392 2.256 10 0 BEAEHO CC[C@H](C)[C@H](CN[C@H](C)[C@@H]1CCC[NH2+]C1)OC ZINC000572234168 387283834 /nfs/dbraw/zinc/28/38/34/387283834.db2.gz FEMNKQVVEXGLPR-DGAVXFQQSA-N 1 3 242.407 2.025 10 0 BEAEHO CC[C@H](C)[C@H](C[NH2+][C@H](C)[C@@H]1CCCNC1)OC ZINC000572234168 387283838 /nfs/dbraw/zinc/28/38/38/387283838.db2.gz FEMNKQVVEXGLPR-DGAVXFQQSA-N 1 3 242.407 2.025 10 0 BEAEHO C[C@H]([NH2+]C[C@H]1Cc2ccccc21)[C@H]1CCCNC1 ZINC000643453661 387371770 /nfs/dbraw/zinc/37/17/70/387371770.db2.gz QBXJJJVHKCSINS-AEGPPILISA-N 1 3 244.382 2.304 10 0 BEAEHO C[C@H](Cc1cccs1)N[C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400709926 387565478 /nfs/dbraw/zinc/56/54/78/387565478.db2.gz LWYNZBCPMQRCCK-IJLUTSLNSA-N 1 3 238.400 2.267 10 0 BEAEHO C[C@H](NCCC[NH3+])c1ccc2c(c1)CCC2 ZINC000037713509 387565451 /nfs/dbraw/zinc/56/54/51/387565451.db2.gz UJPVKJMZPKPHES-NSHDSACASA-N 1 3 218.344 2.175 10 0 BEAEHO C[C@H]1[N@H+](Cc2ccccc2)CC[C@@]1(N)C1CC1 ZINC000575568788 387730723 /nfs/dbraw/zinc/73/07/23/387730723.db2.gz OGUWHMQSYNAZPZ-DOMZBBRYSA-N 1 3 230.355 2.388 10 0 BEAEHO C[C@H]1[N@@H+](Cc2ccccc2)CC[C@@]1(N)C1CC1 ZINC000575568788 387730729 /nfs/dbraw/zinc/73/07/29/387730729.db2.gz OGUWHMQSYNAZPZ-DOMZBBRYSA-N 1 3 230.355 2.388 10 0 BEAEHO C[C@H](CN[C@H](C)[C@H]1CC[NH2+]C1)Oc1ccccc1 ZINC000422978136 387788702 /nfs/dbraw/zinc/78/87/02/387788702.db2.gz HAXGQRBKHSTUBN-MCIONIFRSA-N 1 3 248.370 2.042 10 0 BEAEHO [NH3+]C1C[C@H]2CC[C@@H](C1)N2Cc1cccs1 ZINC000040749285 387794907 /nfs/dbraw/zinc/79/49/07/387794907.db2.gz AMPQSVNWFILAJD-FGWVZKOKSA-N 1 3 222.357 2.202 10 0 BEAEHO C[C@H](N[C@H]1CCc2ccccc2C1)[C@H]1CC[NH2+]C1 ZINC000400482577 387973963 /nfs/dbraw/zinc/97/39/63/387973963.db2.gz GBPRQIQKBSRMAP-RCBQFDQVSA-N 1 3 244.382 2.132 10 0 BEAEHO C[C@H](NC[C@@H]1CCCC1(F)F)[C@H]1CC[NH2+]C1 ZINC000400509559 387985139 /nfs/dbraw/zinc/98/51/39/387985139.db2.gz FDUFLECIJQYQFP-DCAQKATOSA-N 1 3 232.318 2.009 10 0 BEAEHO C[C@H]([NH2+][C@@H]1CSC1(C)C)[C@@H]1CCCCN1 ZINC000393852982 388444149 /nfs/dbraw/zinc/44/41/49/388444149.db2.gz OICIYLBQWSZNIZ-GARJFASQSA-N 1 3 228.405 2.001 10 0 BEAEHO CC(C)C1(C[NH2+][C@H](C)[C@H]2CCCNC2)CC1 ZINC000517229943 388543260 /nfs/dbraw/zinc/54/32/60/388543260.db2.gz MWSLNMXKRAGYSQ-OLZOCXBDSA-N 1 3 224.392 2.400 10 0 BEAEHO N[C@@H](CCC[NH3+])c1c(F)ccc(F)c1Cl ZINC000575439953 388630095 /nfs/dbraw/zinc/63/00/95/388630095.db2.gz ZHWBODIQYFDUAZ-QMMMGPOBSA-N 1 3 234.677 2.357 10 0 BEAEHO CC(C)[NH2+]C[C@H]1CCCN(c2ccncc2)C1 ZINC000053701846 132363125 /nfs/dbraw/zinc/36/31/25/132363125.db2.gz ORWBSKIDXLNUKW-CYBMUJFWSA-N 1 3 233.359 2.296 10 0 BEAEHO CCC[NH2+]C[C@H]1CCCN(c2ccncc2)C1 ZINC000053701407 132363127 /nfs/dbraw/zinc/36/31/27/132363127.db2.gz LFRGQAPJBMGEKX-CYBMUJFWSA-N 1 3 233.359 2.298 10 0 BEAEHO CN(C)C1CC[NH+](C[C@@H]2CCCC2(F)F)CC1 ZINC000336192235 134123866 /nfs/dbraw/zinc/12/38/66/134123866.db2.gz HOYXCIQAECRVHL-NSHDSACASA-N 1 3 246.345 2.448 10 0 BEAEHO CC1CCC(C[N@@H+]2C[C@H]3CCCN[C@@H]3C2)CC1 ZINC000221432420 134324596 /nfs/dbraw/zinc/32/45/96/134324596.db2.gz KKYAMEVBVGJCDL-NEXFUWMNSA-N 1 3 236.403 2.497 10 0 BEAEHO CC1CCC(C[N@H+]2C[C@H]3CCCN[C@@H]3C2)CC1 ZINC000221432420 134324597 /nfs/dbraw/zinc/32/45/97/134324597.db2.gz KKYAMEVBVGJCDL-NEXFUWMNSA-N 1 3 236.403 2.497 10 0 BEAEHO [NH3+]C[C@H]1CCCN(C[C@@H]2CCCC(F)(F)C2)C1 ZINC000261538158 135175535 /nfs/dbraw/zinc/17/55/35/135175535.db2.gz JYNKNPGEKVJAPV-VXGBXAGGSA-N 1 3 246.345 2.483 10 0 BEAEHO NC[C@H]1CCC[N@H+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC000261538158 135175536 /nfs/dbraw/zinc/17/55/36/135175536.db2.gz JYNKNPGEKVJAPV-VXGBXAGGSA-N 1 3 246.345 2.483 10 0 BEAEHO NC[C@H]1CCC[N@@H+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC000261538158 135175537 /nfs/dbraw/zinc/17/55/37/135175537.db2.gz JYNKNPGEKVJAPV-VXGBXAGGSA-N 1 3 246.345 2.483 10 0 BEAEHO [NH3+]C[C@H]1CCCN(C[C@H]2CCCC(F)(F)C2)C1 ZINC000261538156 135175852 /nfs/dbraw/zinc/17/58/52/135175852.db2.gz JYNKNPGEKVJAPV-NWDGAFQWSA-N 1 3 246.345 2.483 10 0 BEAEHO NC[C@H]1CCC[N@H+](C[C@H]2CCCC(F)(F)C2)C1 ZINC000261538156 135175853 /nfs/dbraw/zinc/17/58/53/135175853.db2.gz JYNKNPGEKVJAPV-NWDGAFQWSA-N 1 3 246.345 2.483 10 0 BEAEHO NC[C@H]1CCC[N@@H+](C[C@H]2CCCC(F)(F)C2)C1 ZINC000261538156 135175855 /nfs/dbraw/zinc/17/58/55/135175855.db2.gz JYNKNPGEKVJAPV-NWDGAFQWSA-N 1 3 246.345 2.483 10 0 BEAEHO CC1CCC(C[N@H+]2C[C@@H]3NCCC[C@H]3C2)CC1 ZINC000299918632 135381707 /nfs/dbraw/zinc/38/17/07/135381707.db2.gz KKYAMEVBVGJCDL-WUCCLRPBSA-N 1 3 236.403 2.497 10 0 BEAEHO CC1CCC(C[N@@H+]2C[C@@H]3NCCC[C@H]3C2)CC1 ZINC000299918632 135381709 /nfs/dbraw/zinc/38/17/09/135381709.db2.gz KKYAMEVBVGJCDL-WUCCLRPBSA-N 1 3 236.403 2.497 10 0 BEAEHO CCc1ccc(CNCC[C@@H](C)[NH3+])cc1 ZINC000258736476 322877080 /nfs/dbraw/zinc/87/70/80/322877080.db2.gz KNDTXLFIKTZHFG-LLVKDONJSA-N 1 3 206.333 2.076 10 0 BEAEHO CC(C)NC[C@@H]1CC[N@@H+](C(C2CC2)C2CC2)C1 ZINC000053031984 167113537 /nfs/dbraw/zinc/11/35/37/167113537.db2.gz CQQSVFBNSHXSDR-LBPRGKRZSA-N 1 3 236.403 2.495 10 0 BEAEHO CC(C)NC[C@@H]1CC[N@H+](C(C2CC2)C2CC2)C1 ZINC000053031984 167113538 /nfs/dbraw/zinc/11/35/38/167113538.db2.gz CQQSVFBNSHXSDR-LBPRGKRZSA-N 1 3 236.403 2.495 10 0 BEAEHO CC(C)OCC[N@H+](CCCN)C1CCCCC1 ZINC000049259236 167229197 /nfs/dbraw/zinc/22/91/97/167229197.db2.gz WAAKDQCJFGHCDJ-UHFFFAOYSA-N 1 3 242.407 2.395 10 0 BEAEHO CC(C)OCC[N@@H+](CCCN)C1CCCCC1 ZINC000049259236 167229198 /nfs/dbraw/zinc/22/91/98/167229198.db2.gz WAAKDQCJFGHCDJ-UHFFFAOYSA-N 1 3 242.407 2.395 10 0 BEAEHO CC1CCC([N@@H+]2CCCNC[C@H](C)C2)CC1 ZINC000049665442 168159360 /nfs/dbraw/zinc/15/93/60/168159360.db2.gz YWIXDRFLWVOTHD-MOKVOYLWSA-N 1 3 224.392 2.497 10 0 BEAEHO CC1CCC([N@H+]2CCCNC[C@H](C)C2)CC1 ZINC000049665442 168159362 /nfs/dbraw/zinc/15/93/62/168159362.db2.gz YWIXDRFLWVOTHD-MOKVOYLWSA-N 1 3 224.392 2.497 10 0 BEAEHO CCNCC[C@@H](C)[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000052545469 170116418 /nfs/dbraw/zinc/11/64/18/170116418.db2.gz GIGOUTLMKHMNRI-OLZOCXBDSA-N 1 3 242.407 2.121 10 0 BEAEHO CCNCC[C@@H](C)[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000052545469 170116419 /nfs/dbraw/zinc/11/64/19/170116419.db2.gz GIGOUTLMKHMNRI-OLZOCXBDSA-N 1 3 242.407 2.121 10 0 BEAEHO CC[NH2+]CC[C@@H](C)N(CCOC)[C@@H](C)C1CC1 ZINC000052545469 170116420 /nfs/dbraw/zinc/11/64/20/170116420.db2.gz GIGOUTLMKHMNRI-OLZOCXBDSA-N 1 3 242.407 2.121 10 0 BEAEHO CCNC[C@H](C)C[N@H+](CCOC)C(CC)CC ZINC000052573306 170121801 /nfs/dbraw/zinc/12/18/01/170121801.db2.gz FSQPJVGYAHEPMC-ZDUSSCGKSA-N 1 3 244.423 2.369 10 0 BEAEHO CCNC[C@H](C)C[N@@H+](CCOC)C(CC)CC ZINC000052573306 170121802 /nfs/dbraw/zinc/12/18/02/170121802.db2.gz FSQPJVGYAHEPMC-ZDUSSCGKSA-N 1 3 244.423 2.369 10 0 BEAEHO CC[NH2+]C[C@H](C)CN(CCOC)C(CC)CC ZINC000052573306 170121803 /nfs/dbraw/zinc/12/18/03/170121803.db2.gz FSQPJVGYAHEPMC-ZDUSSCGKSA-N 1 3 244.423 2.369 10 0 BEAEHO CC[NH2+][C@@H](C)C1CCN(Cc2ccncc2)CC1 ZINC000104421712 170138830 /nfs/dbraw/zinc/13/88/30/170138830.db2.gz DZHVUNIPPAZMMT-ZDUSSCGKSA-N 1 3 247.386 2.292 10 0 BEAEHO CC[NH2+][C@@H]1CCC[C@H]1CN1CCC(C)CC1 ZINC000053860879 170151467 /nfs/dbraw/zinc/15/14/67/170151467.db2.gz HORDZPUCDIFSBL-UONOGXRCSA-N 1 3 224.392 2.497 10 0 BEAEHO CC[NH2+][C@@H]1CCC[C@H]1CN1CCCSCC1 ZINC000053879673 170151685 /nfs/dbraw/zinc/15/16/85/170151685.db2.gz ODULMMFCECUKQI-QWHCGFSZSA-N 1 3 242.432 2.204 10 0 BEAEHO CC[NH2+][C@@H]1CCC[C@H]1CN(CC)CCOCC ZINC000104190892 170151793 /nfs/dbraw/zinc/15/17/93/170151793.db2.gz KWPLJDWRAPAYKO-UONOGXRCSA-N 1 3 242.407 2.123 10 0 BEAEHO CC[NH2+][C@@H]1CCC[C@H]1CN1CCCCC1 ZINC000053862423 170152004 /nfs/dbraw/zinc/15/20/04/170152004.db2.gz OSKPUASRNJYNGX-QWHCGFSZSA-N 1 3 210.365 2.251 10 0 BEAEHO CC[NH2+][C@H]1CCC[C@@H]1CN(CC)CCOCC ZINC000104190888 170166410 /nfs/dbraw/zinc/16/64/10/170166410.db2.gz KWPLJDWRAPAYKO-KGLIPLIRSA-N 1 3 242.407 2.123 10 0 BEAEHO CC[NH2+][C@H]1CCC[C@H]1CN(CC)[C@@H](C)COC ZINC000053871462 170167308 /nfs/dbraw/zinc/16/73/08/170167308.db2.gz GZCNVJYWNPIWAY-IHRRRGAJSA-N 1 3 242.407 2.121 10 0 BEAEHO CCOC1CCN(C[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC000053858549 170332291 /nfs/dbraw/zinc/33/22/91/170332291.db2.gz PFARLFLLUMGDNY-TZMCWYRMSA-N 1 3 240.391 2.005 10 0 BEAEHO CC[C@@H]1CCN(CC(C)(C)C)CCC[NH2+]1 ZINC000049667073 171008527 /nfs/dbraw/zinc/00/85/27/171008527.db2.gz SDVQWYSBBJDUJD-GFCCVEGCSA-N 1 3 212.381 2.497 10 0 BEAEHO CC[C@@H]1CC[N@H+](CC(C)(C)C)CCCN1 ZINC000049667073 171008529 /nfs/dbraw/zinc/00/85/29/171008529.db2.gz SDVQWYSBBJDUJD-GFCCVEGCSA-N 1 3 212.381 2.497 10 0 BEAEHO CC[C@@H]1CC[N@@H+](CC(C)(C)C)CCCN1 ZINC000049667073 171008531 /nfs/dbraw/zinc/00/85/31/171008531.db2.gz SDVQWYSBBJDUJD-GFCCVEGCSA-N 1 3 212.381 2.497 10 0 BEAEHO CC[C@@H]1COCCN1CCC[C@@H]1CCCC[NH2+]1 ZINC000050952759 171105500 /nfs/dbraw/zinc/10/55/00/171105500.db2.gz YJDRAMHRHKNLSR-UONOGXRCSA-N 1 3 240.391 2.020 10 0 BEAEHO C[C@H]1CC(C[NH2+][C@@H]2CCNC2)C[C@H](C)C1 ZINC000665239791 412179915 /nfs/dbraw/zinc/17/99/15/412179915.db2.gz ZGCXYWOZSVRBJP-NQBHXWOUSA-N 1 3 210.365 2.010 10 0 BEAEHO CNC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000037241966 173324500 /nfs/dbraw/zinc/32/45/00/173324500.db2.gz WDJGHEOGTJJGHC-DGCLKSJQSA-N 1 3 210.365 2.249 10 0 BEAEHO CNCC1(C[N@@H+]2CC[C@H](C)C2)CCCCC1 ZINC000051250003 173337418 /nfs/dbraw/zinc/33/74/18/173337418.db2.gz WBXUGYIJJRHJPF-ZDUSSCGKSA-N 1 3 224.392 2.498 10 0 BEAEHO CNCC1(C[N@H+]2CC[C@H](C)C2)CCCCC1 ZINC000051250003 173337420 /nfs/dbraw/zinc/33/74/20/173337420.db2.gz WBXUGYIJJRHJPF-ZDUSSCGKSA-N 1 3 224.392 2.498 10 0 BEAEHO C[NH2+]C[C@@H](OC1CCN(C)CC1)c1ccccc1 ZINC000052596936 173367028 /nfs/dbraw/zinc/36/70/28/173367028.db2.gz UEMFUXWLAWFNBM-OAHLLOKOSA-N 1 3 248.370 2.058 10 0 BEAEHO CNC[C@H]1CC[N@@H+](C2CCCCCC2)C1 ZINC000011892093 173380687 /nfs/dbraw/zinc/38/06/87/173380687.db2.gz MYQDXFSIEQYJAO-GFCCVEGCSA-N 1 3 210.365 2.251 10 0 BEAEHO CNC[C@H]1CC[N@H+](C2CCCCCC2)C1 ZINC000011892093 173380688 /nfs/dbraw/zinc/38/06/88/173380688.db2.gz MYQDXFSIEQYJAO-GFCCVEGCSA-N 1 3 210.365 2.251 10 0 BEAEHO C[NH2+]Cc1coc(CN2CCC(C)CC2)c1 ZINC000052377067 173393046 /nfs/dbraw/zinc/39/30/46/173393046.db2.gz WKSFOAKCBUGVAC-UHFFFAOYSA-N 1 3 222.332 2.231 10 0 BEAEHO CNCc1occc1C[N@H+]1CCC[C@@H](C)C1 ZINC000052381308 173399462 /nfs/dbraw/zinc/39/94/62/173399462.db2.gz ZKOCSICHICOTGO-LLVKDONJSA-N 1 3 222.332 2.231 10 0 BEAEHO CNCc1occc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000052381308 173399460 /nfs/dbraw/zinc/39/94/60/173399460.db2.gz ZKOCSICHICOTGO-LLVKDONJSA-N 1 3 222.332 2.231 10 0 BEAEHO CN[C@H]1CCC[C@@H]1C[NH+]1CCCCCC1 ZINC000053862033 173462062 /nfs/dbraw/zinc/46/20/62/173462062.db2.gz WLBGSDFVXSPKCI-OLZOCXBDSA-N 1 3 210.365 2.251 10 0 BEAEHO COCCN(CC(C)C)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000042368741 174287578 /nfs/dbraw/zinc/28/75/78/174287578.db2.gz IHASKAHCLWZDAA-UONOGXRCSA-N 1 3 242.407 2.251 10 0 BEAEHO COCCN(CC(C)C)CC1(C[NH3+])CCCC1 ZINC000051251287 174287596 /nfs/dbraw/zinc/28/75/96/174287596.db2.gz GVWFFMRAMNECCO-UHFFFAOYSA-N 1 3 242.407 2.110 10 0 BEAEHO COCCN(C[C@H]([NH3+])C(C)(C)C)[C@H](C)C1CC1 ZINC000042616200 174297764 /nfs/dbraw/zinc/29/77/64/174297764.db2.gz QHZAAOJWXORWBW-YPMHNXCESA-N 1 3 242.407 2.107 10 0 BEAEHO COc1cccc(CN2CCC[C@@H]2CC[NH3+])c1 ZINC000082341618 175259132 /nfs/dbraw/zinc/25/91/32/175259132.db2.gz NGNPPCCBPSOYND-CYBMUJFWSA-N 1 3 234.343 2.008 10 0 BEAEHO COc1ccccc1CN(C)CCCCC(N)=[NH2+] ZINC000049579784 175324294 /nfs/dbraw/zinc/32/42/94/175324294.db2.gz ZDNQJJQJXOFZMO-UHFFFAOYSA-N 1 3 249.358 2.233 10 0 BEAEHO COc1ccccc1CN(C)CCCCC[NH3+] ZINC000049580772 175324656 /nfs/dbraw/zinc/32/46/56/175324656.db2.gz QKLOGTBZLWERFZ-UHFFFAOYSA-N 1 3 236.359 2.256 10 0 BEAEHO C[C@@H]1CCCC[C@]1(CN)[N@H+](C)Cc1cccnc1 ZINC000036770988 176090456 /nfs/dbraw/zinc/09/04/56/176090456.db2.gz SOCLIGCQEAXWNE-UKRRQHHQSA-N 1 3 247.386 2.421 10 0 BEAEHO C[C@@H]1CCCC[C@]1(CN)[N@@H+](C)Cc1cccnc1 ZINC000036770988 176090457 /nfs/dbraw/zinc/09/04/57/176090457.db2.gz SOCLIGCQEAXWNE-UKRRQHHQSA-N 1 3 247.386 2.421 10 0 BEAEHO C[C@@H]1CCCN(Cc2ccccc2C(N)=[NH2+])C1 ZINC000019482599 176101699 /nfs/dbraw/zinc/10/16/99/176101699.db2.gz PGAUOVSCCGOQKZ-LLVKDONJSA-N 1 3 231.343 2.203 10 0 BEAEHO C[C@@H]1CCC[N@@H+]1CCCOc1ccccc1CN ZINC000037910095 176108465 /nfs/dbraw/zinc/10/84/65/176108465.db2.gz HZMOAFRVKPFHNB-CYBMUJFWSA-N 1 3 248.370 2.399 10 0 BEAEHO C[C@@H]1CCC[N@H+]1CCCOc1ccccc1CN ZINC000037910095 176108466 /nfs/dbraw/zinc/10/84/66/176108466.db2.gz HZMOAFRVKPFHNB-CYBMUJFWSA-N 1 3 248.370 2.399 10 0 BEAEHO C[C@@H]1CCN(Cc2cc(C[NH3+])ccc2F)C1 ZINC000040717024 176174067 /nfs/dbraw/zinc/17/40/67/176174067.db2.gz GXESIQLLABWTLC-SNVBAGLBSA-N 1 3 222.307 2.126 10 0 BEAEHO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H](N)C1 ZINC000038587391 176175727 /nfs/dbraw/zinc/17/57/27/176175727.db2.gz BXJFSICAWIZSFJ-TZMCWYRMSA-N 1 3 218.344 2.246 10 0 BEAEHO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H](N)C1 ZINC000038587391 176175728 /nfs/dbraw/zinc/17/57/28/176175728.db2.gz BXJFSICAWIZSFJ-TZMCWYRMSA-N 1 3 218.344 2.246 10 0 BEAEHO C[C@@H]1CC[C@@H](CN)C[N@@H+]1CCc1ccccc1 ZINC000042427370 176202529 /nfs/dbraw/zinc/20/25/29/176202529.db2.gz SHIOOIDCYVGEGV-HIFRSBDPSA-N 1 3 232.371 2.288 10 0 BEAEHO C[C@@H]1CC[C@@H](CN)C[N@H+]1CCc1ccccc1 ZINC000042427370 176202532 /nfs/dbraw/zinc/20/25/32/176202532.db2.gz SHIOOIDCYVGEGV-HIFRSBDPSA-N 1 3 232.371 2.288 10 0 BEAEHO C[C@@H]1CC[C@@H](C[NH3+])CN1CCc1ccccc1 ZINC000042427370 176202534 /nfs/dbraw/zinc/20/25/34/176202534.db2.gz SHIOOIDCYVGEGV-HIFRSBDPSA-N 1 3 232.371 2.288 10 0 BEAEHO C[C@@H]1CC[C@H](C[NH3+])[C@H](N(C)Cc2ccncc2)C1 ZINC000036771880 176224143 /nfs/dbraw/zinc/22/41/43/176224143.db2.gz VPNSYXMLKFAIHR-BPLDGKMQSA-N 1 3 247.386 2.277 10 0 BEAEHO C[C@@H]1CN(CCC[C@@H]2CCC[NH2+]2)CC(C)(C)O1 ZINC000052764690 176289006 /nfs/dbraw/zinc/28/90/06/176289006.db2.gz ICTXULCUTMFDFH-OLZOCXBDSA-N 1 3 240.391 2.018 10 0 BEAEHO C[C@@H]1CNCCC[N@H+](CCC2CCCC2)C1 ZINC000049666898 176324029 /nfs/dbraw/zinc/32/40/29/176324029.db2.gz SRSXRLSTGHWAEB-CYBMUJFWSA-N 1 3 224.392 2.498 10 0 BEAEHO C[C@@H]1CNCCC[N@@H+](CCC2CCCC2)C1 ZINC000049666898 176324031 /nfs/dbraw/zinc/32/40/31/176324031.db2.gz SRSXRLSTGHWAEB-CYBMUJFWSA-N 1 3 224.392 2.498 10 0 BEAEHO C[C@@H]1C[NH2+]CCCN(Cc2ccccc2)C1 ZINC000049664207 176324566 /nfs/dbraw/zinc/32/45/66/176324566.db2.gz HXXXKABEVQNWHL-CYBMUJFWSA-N 1 3 218.344 2.118 10 0 BEAEHO C[C@@H]1C[NH2+]C[C@@H](C)CN(Cc2ccccc2)C1 ZINC000049664214 176329161 /nfs/dbraw/zinc/32/91/61/176329161.db2.gz CPQBZFAVDHALIR-ZIAGYGMSSA-N 1 3 232.371 2.364 10 0 BEAEHO C[C@@H]1C[C@@H](N)C[N@H+](Cc2ccccc2)[C@@H]1C ZINC000068593184 176371193 /nfs/dbraw/zinc/37/11/93/176371193.db2.gz NVIRYIHNKWLTFW-YRGRVCCFSA-N 1 3 218.344 2.244 10 0 BEAEHO C[C@@H]1C[C@@H](N)C[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000068593184 176371194 /nfs/dbraw/zinc/37/11/94/176371194.db2.gz NVIRYIHNKWLTFW-YRGRVCCFSA-N 1 3 218.344 2.244 10 0 BEAEHO C[C@H](c1ccccc1)N1CCC[NH2+]CCC1 ZINC000049664317 177038826 /nfs/dbraw/zinc/03/88/26/177038826.db2.gz RAPWJOLKNOLLKW-CYBMUJFWSA-N 1 3 218.344 2.433 10 0 BEAEHO C[C@H](c1ccccc1)[NH+]1CCCNCCC1 ZINC000049664317 177038827 /nfs/dbraw/zinc/03/88/27/177038827.db2.gz RAPWJOLKNOLLKW-CYBMUJFWSA-N 1 3 218.344 2.433 10 0 BEAEHO C[C@H]1CCCCN1Cc1cc(C[NH3+])co1 ZINC000052378903 177077394 /nfs/dbraw/zinc/07/73/94/177077394.db2.gz GUGTXAPYCDSAJB-JTQLQIEISA-N 1 3 208.305 2.113 10 0 BEAEHO C[C@H]1CC[N@@H+](C2CCCCC2)CCCN1 ZINC000049665014 177157896 /nfs/dbraw/zinc/15/78/96/177157896.db2.gz JUKNHGAMDLEYGO-LBPRGKRZSA-N 1 3 210.365 2.393 10 0 BEAEHO C[C@H]1CC[N@H+](C2CCCCC2)CCCN1 ZINC000049665014 177157898 /nfs/dbraw/zinc/15/78/98/177157898.db2.gz JUKNHGAMDLEYGO-LBPRGKRZSA-N 1 3 210.365 2.393 10 0 BEAEHO C[C@H]1CC[C@H](CN)C[N@@H+]1CCc1ccccc1 ZINC000042427369 177200976 /nfs/dbraw/zinc/20/09/76/177200976.db2.gz SHIOOIDCYVGEGV-DZGCQCFKSA-N 1 3 232.371 2.288 10 0 BEAEHO C[C@H]1CC[C@H](CN)C[N@H+]1CCc1ccccc1 ZINC000042427369 177200977 /nfs/dbraw/zinc/20/09/77/177200977.db2.gz SHIOOIDCYVGEGV-DZGCQCFKSA-N 1 3 232.371 2.288 10 0 BEAEHO C[C@H]1CC[C@H](C[NH3+])CN1CCc1ccccc1 ZINC000042427369 177200978 /nfs/dbraw/zinc/20/09/78/177200978.db2.gz SHIOOIDCYVGEGV-DZGCQCFKSA-N 1 3 232.371 2.288 10 0 BEAEHO C[C@H]1CC[C@H](N)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000068593072 177203932 /nfs/dbraw/zinc/20/39/32/177203932.db2.gz ULXWOSFIBHNQLH-OBJOEFQTSA-N 1 3 218.344 2.387 10 0 BEAEHO C[C@H]1CC[C@H](N)[C@H](C)[N@H+]1Cc1ccccc1 ZINC000068593072 177203934 /nfs/dbraw/zinc/20/39/34/177203934.db2.gz ULXWOSFIBHNQLH-OBJOEFQTSA-N 1 3 218.344 2.387 10 0 BEAEHO C[C@H]1CN(CCC[C@@H]2CCC[NH2+]2)CC(C)(C)O1 ZINC000052764691 177250304 /nfs/dbraw/zinc/25/03/04/177250304.db2.gz ICTXULCUTMFDFH-STQMWFEESA-N 1 3 240.391 2.018 10 0 BEAEHO C[C@H]1C[N@H+](Cc2ccccc2)[C@H](C)[C@H](N)[C@@H]1C ZINC000068592991 177266445 /nfs/dbraw/zinc/26/64/45/177266445.db2.gz MCYADVOUXKSBRH-KYEXWDHISA-N 1 3 232.371 2.490 10 0 BEAEHO C[C@H]1C[N@@H+](Cc2ccccc2)[C@H](C)[C@H](N)[C@@H]1C ZINC000068592991 177266447 /nfs/dbraw/zinc/26/64/47/177266447.db2.gz MCYADVOUXKSBRH-KYEXWDHISA-N 1 3 232.371 2.490 10 0 BEAEHO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)C1[NH3+] ZINC000034268760 177267083 /nfs/dbraw/zinc/26/70/83/177267083.db2.gz RIEQIRVXRYJFPZ-ONXXMXGDSA-N 1 3 218.344 2.102 10 0 BEAEHO C[C@H]1C[NH2+]CCCN(CCc2ccccc2)C1 ZINC000049664781 177281946 /nfs/dbraw/zinc/28/19/46/177281946.db2.gz CGPAJNUBNKCANU-AWEZNQCLSA-N 1 3 232.371 2.161 10 0 BEAEHO C[C@H]1CNCCC[N@H+](CCc2ccccc2)C1 ZINC000049664781 177281948 /nfs/dbraw/zinc/28/19/48/177281948.db2.gz CGPAJNUBNKCANU-AWEZNQCLSA-N 1 3 232.371 2.161 10 0 BEAEHO C[C@H]1CNCCC[N@@H+](CCc2ccccc2)C1 ZINC000049664781 177281949 /nfs/dbraw/zinc/28/19/49/177281949.db2.gz CGPAJNUBNKCANU-AWEZNQCLSA-N 1 3 232.371 2.161 10 0 BEAEHO C[C@@H]1CNC[C@H](C)C[N@H+](C2CCCCC2)C1 ZINC000049665033 177284705 /nfs/dbraw/zinc/28/47/05/177284705.db2.gz KOGHYQOULZTQSE-BETUJISGSA-N 1 3 224.392 2.497 10 0 BEAEHO C[C@@H]1CNC[C@H](C)C[N@@H+](C2CCCCC2)C1 ZINC000049665033 177284707 /nfs/dbraw/zinc/28/47/07/177284707.db2.gz KOGHYQOULZTQSE-BETUJISGSA-N 1 3 224.392 2.497 10 0 BEAEHO C[C@H]1CNC[C@H](C)C[NH+](CC2CCCC2)C1 ZINC000049666024 177285691 /nfs/dbraw/zinc/28/56/91/177285691.db2.gz TVCKCAZMFGQXIQ-STQMWFEESA-N 1 3 224.392 2.354 10 0 BEAEHO CC(C)[C@H](C)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000225876216 487650129 /nfs/dbraw/zinc/65/01/29/487650129.db2.gz RVKBRXDCICPMFX-MJBXVCDLSA-N 1 3 224.392 2.495 10 0 BEAEHO C[C@H](Cc1cccs1)[NH2+][C@@H]1CCC[C@H]1CN ZINC000251796056 487797789 /nfs/dbraw/zinc/79/77/89/487797789.db2.gz XEWVDQRFHJEKEU-NTZNESFSSA-N 1 3 238.400 2.396 10 0 BEAEHO Cc1cccc(CN[C@H](C)C2CC[NH+](C)CC2)n1 ZINC000051575049 487933246 /nfs/dbraw/zinc/93/32/46/487933246.db2.gz AEHVKIOKNODAJU-CYBMUJFWSA-N 1 3 247.386 2.210 10 0 BEAEHO C[C@H]([NH2+]C[C@]1(C)CCCS1)[C@@H]1CCCNC1 ZINC000567642545 323034366 /nfs/dbraw/zinc/03/43/66/323034366.db2.gz STPJWAWPMBDMTB-XQQFMLRXSA-N 1 3 242.432 2.250 10 0 BEAEHO CC(C)CSCCN[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000562959590 323035290 /nfs/dbraw/zinc/03/52/90/323035290.db2.gz KUAHTPVJSGXZOO-OLZOCXBDSA-N 1 3 244.448 2.353 10 0 BEAEHO CC(C)CSCC[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000562959590 323035291 /nfs/dbraw/zinc/03/52/91/323035291.db2.gz KUAHTPVJSGXZOO-OLZOCXBDSA-N 1 3 244.448 2.353 10 0 BEAEHO CC(C)SCCN[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000571669326 323177048 /nfs/dbraw/zinc/17/70/48/323177048.db2.gz GNAFTAHDJRBWNB-RYUDHWBXSA-N 1 3 230.421 2.106 10 0 BEAEHO CC(C)SCC[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000571669326 323177049 /nfs/dbraw/zinc/17/70/49/323177049.db2.gz GNAFTAHDJRBWNB-RYUDHWBXSA-N 1 3 230.421 2.106 10 0 BEAEHO C[C@H]([NH2+]C[C@@H]1C[C@H]1C1CC1)[C@H]1CCCNC1 ZINC000564823410 325812229 /nfs/dbraw/zinc/81/22/29/325812229.db2.gz UJSXMTFHOQZBCL-PYJNHQTQSA-N 1 3 222.376 2.010 10 0 BEAEHO C[C@@H](C[NH3+])CNc1ccnc2ccccc21 ZINC000083387597 490229279 /nfs/dbraw/zinc/22/92/79/490229279.db2.gz LZVCOJLKRDQWIC-JTQLQIEISA-N 1 3 215.300 2.242 10 0 BEAEHO COCC[C@H](C)[N@@H+]1CCC[C@@]12CCCN[C@H]2C ZINC000757124082 582499575 /nfs/dbraw/zinc/49/95/75/582499575.db2.gz BOEAKVHLOUNOML-MELADBBJSA-N 1 3 240.391 2.018 10 0 BEAEHO COCC[C@H](C)[N@H+]1CCC[C@@]12CCCN[C@H]2C ZINC000757124082 582499576 /nfs/dbraw/zinc/49/95/76/582499576.db2.gz BOEAKVHLOUNOML-MELADBBJSA-N 1 3 240.391 2.018 10 0 BEAEHO COCC[C@H](C)N1CCC[C@@]12CCC[NH2+][C@H]2C ZINC000757124082 582499579 /nfs/dbraw/zinc/49/95/79/582499579.db2.gz BOEAKVHLOUNOML-MELADBBJSA-N 1 3 240.391 2.018 10 0 BEAEHO C[C@H](C1CC1)[N@@H+]1CCC[C@]12CNC[C@@H](C)C2 ZINC000757131245 582505999 /nfs/dbraw/zinc/50/59/99/582505999.db2.gz PXKVBVDERKLGGI-SCRDCRAPSA-N 1 3 222.376 2.249 10 0 BEAEHO C[C@H](C1CC1)[N@H+]1CCC[C@]12CNC[C@@H](C)C2 ZINC000757131245 582506000 /nfs/dbraw/zinc/50/60/00/582506000.db2.gz PXKVBVDERKLGGI-SCRDCRAPSA-N 1 3 222.376 2.249 10 0 BEAEHO C[C@H](C1CC1)N1CCC[C@]12C[NH2+]C[C@@H](C)C2 ZINC000757131245 582506001 /nfs/dbraw/zinc/50/60/01/582506001.db2.gz PXKVBVDERKLGGI-SCRDCRAPSA-N 1 3 222.376 2.249 10 0 BEAEHO CN1CCC[C@]2(CC1)[NH2+]CC(C)(C)C(C)(C)O2 ZINC000757138391 582517981 /nfs/dbraw/zinc/51/79/81/582517981.db2.gz CAILFRSKEOGFNT-AWEZNQCLSA-N 1 3 240.391 2.223 10 0 BEAEHO CC[C@H]([NH2+][C@@H]1CC[C@@H](N(C)C)C1)C(C)C ZINC000222740647 535940290 /nfs/dbraw/zinc/94/02/90/535940290.db2.gz CZGPMQCRFGTRGM-UPJWGTAASA-N 1 3 212.381 2.493 10 0 BEAEHO CC[C@@H]1CCC[N@@H+]1[C@H]1[C@H](C)CNC[C@@H]1C ZINC000685951935 566487094 /nfs/dbraw/zinc/48/70/94/566487094.db2.gz ZJBBRRYOAUXZNT-XQHKEYJVSA-N 1 3 210.365 2.105 10 0 BEAEHO CC[C@@H]1CCC[N@H+]1[C@H]1[C@H](C)CNC[C@@H]1C ZINC000685951935 566487102 /nfs/dbraw/zinc/48/71/02/566487102.db2.gz ZJBBRRYOAUXZNT-XQHKEYJVSA-N 1 3 210.365 2.105 10 0 BEAEHO CCCC[N@@H+]1CCC[C@]12CCCN[C@@H]2C ZINC000757125650 582499946 /nfs/dbraw/zinc/49/99/46/582499946.db2.gz FFKPRNAUGXVDOJ-OLZOCXBDSA-N 1 3 210.365 2.393 10 0 BEAEHO CCCC[N@H+]1CCC[C@]12CCCN[C@@H]2C ZINC000757125650 582499948 /nfs/dbraw/zinc/49/99/48/582499948.db2.gz FFKPRNAUGXVDOJ-OLZOCXBDSA-N 1 3 210.365 2.393 10 0 BEAEHO CCCCN1CCC[C@]12CCC[NH2+][C@@H]2C ZINC000757125650 582499950 /nfs/dbraw/zinc/49/99/50/582499950.db2.gz FFKPRNAUGXVDOJ-OLZOCXBDSA-N 1 3 210.365 2.393 10 0 BEAEHO C[C@@H](C1CC1)[N@@H+]1CCC[C@]12CCCNC2 ZINC000757128024 582503220 /nfs/dbraw/zinc/50/32/20/582503220.db2.gz IOIBDOYHUDMPHC-AAEUAGOBSA-N 1 3 208.349 2.003 10 0 BEAEHO C[C@@H](C1CC1)[N@H+]1CCC[C@]12CCCNC2 ZINC000757128024 582503223 /nfs/dbraw/zinc/50/32/23/582503223.db2.gz IOIBDOYHUDMPHC-AAEUAGOBSA-N 1 3 208.349 2.003 10 0 BEAEHO C[C@@H](C1CC1)N1CCC[C@]12CCC[NH2+]C2 ZINC000757128024 582503224 /nfs/dbraw/zinc/50/32/24/582503224.db2.gz IOIBDOYHUDMPHC-AAEUAGOBSA-N 1 3 208.349 2.003 10 0 BEAEHO C[C@@H]1C[C@H](C)[C@@H](CN)[C@H](c2cccc(C=O)c2)[NH2+]1 ZINC000757217892 582562455 /nfs/dbraw/zinc/56/24/55/582562455.db2.gz TZJIIASWNBHJEX-DRABBMOASA-N 1 3 246.354 2.133 10 0 BEAEHO [NH3+]C[C@H]1CCCN[C@H]1c1cccc2cc[nH]c21 ZINC000757219499 582563426 /nfs/dbraw/zinc/56/34/26/582563426.db2.gz XFTVCJFRIOVICJ-BXUZGUMPSA-N 1 3 229.327 2.167 10 0 BEAEHO [NH3+]C[C@@H]1CCCN[C@H]1c1cccc2cc[nH]c21 ZINC000757219516 582563937 /nfs/dbraw/zinc/56/39/37/582563937.db2.gz XFTVCJFRIOVICJ-SMDDNHRTSA-N 1 3 229.327 2.167 10 0 BEAEHO C[C@@H]1CCCN(C[C@@H]2CCCC[NH2+]C2)C1 ZINC000108353980 583600688 /nfs/dbraw/zinc/60/06/88/583600688.db2.gz NZDCISWSDGIBJO-CHWSQXEVSA-N 1 3 210.365 2.108 10 0 BEAEHO C[C@@H]1CCC[N@H+](C[C@@H]2CCCCNC2)C1 ZINC000108353980 583600689 /nfs/dbraw/zinc/60/06/89/583600689.db2.gz NZDCISWSDGIBJO-CHWSQXEVSA-N 1 3 210.365 2.108 10 0 BEAEHO C[C@@H]1CCC[N@@H+](C[C@@H]2CCCCNC2)C1 ZINC000108353980 583600690 /nfs/dbraw/zinc/60/06/90/583600690.db2.gz NZDCISWSDGIBJO-CHWSQXEVSA-N 1 3 210.365 2.108 10 0 BEAEHO CCOCCC[N@@H+]1CCC[C@@]12CCCN[C@H]2C ZINC000757123995 586426380 /nfs/dbraw/zinc/42/63/80/586426380.db2.gz BELULRICDQELPM-UONOGXRCSA-N 1 3 240.391 2.020 10 0 BEAEHO CCOCCC[N@H+]1CCC[C@@]12CCCN[C@H]2C ZINC000757123995 586426383 /nfs/dbraw/zinc/42/63/83/586426383.db2.gz BELULRICDQELPM-UONOGXRCSA-N 1 3 240.391 2.020 10 0 BEAEHO [NH3+]C[C@@H]1CNC[C@@H](c2cscc2C(F)F)C1 ZINC000757237018 586443779 /nfs/dbraw/zinc/44/37/79/586443779.db2.gz PCLCTBSNIHTMNJ-SFYZADRCSA-N 1 3 246.326 2.338 10 0 BEAEHO NC[C@@H]1C[NH2+]C[C@@H](c2cscc2C(F)F)C1 ZINC000757237018 586443781 /nfs/dbraw/zinc/44/37/81/586443781.db2.gz PCLCTBSNIHTMNJ-SFYZADRCSA-N 1 3 246.326 2.338 10 0 BEAEHO [NH3+]CC[C@H]1CCN(c2ccnc3ccccc32)C1 ZINC000125501029 634521335 /nfs/dbraw/zinc/52/13/35/634521335.db2.gz GVPSWGQXNRRVAO-LBPRGKRZSA-N 1 3 241.338 2.410 10 0 BEAEHO C[C@H](C[NH2+][C@H]1CCCSC1)CN1CCCC1 ZINC000062079016 631646487 /nfs/dbraw/zinc/64/64/87/631646487.db2.gz JRWFQDPMHWKQJJ-OLZOCXBDSA-N 1 3 242.432 2.204 10 0 BEAEHO C(CNC1CC1)C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000134817417 711561303 /nfs/dbraw/zinc/56/13/03/711561303.db2.gz BPFTULKYTQWGPH-JSGCOSHPSA-N 1 3 222.376 2.393 10 0 BEAEHO C(CNC1CC1)C[N@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000134817417 711561307 /nfs/dbraw/zinc/56/13/07/711561307.db2.gz BPFTULKYTQWGPH-JSGCOSHPSA-N 1 3 222.376 2.393 10 0 BEAEHO c1ccc(CCN[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000036996534 712528828 /nfs/dbraw/zinc/52/88/28/712528828.db2.gz QBSGTAUPVKFANE-HZPDHXFCSA-N 1 3 244.382 2.446 10 0 BEAEHO c1ccc(CCN[C@@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000036996534 712528829 /nfs/dbraw/zinc/52/88/29/712528829.db2.gz QBSGTAUPVKFANE-HZPDHXFCSA-N 1 3 244.382 2.446 10 0 BEAEHO CC(C)[C@H](C)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720859856 712870761 /nfs/dbraw/zinc/87/07/61/712870761.db2.gz RMBZKCPFGUCQMB-LPEHRKFASA-N 1 3 238.297 2.100 10 0 BEAEHO CCC1CCC2(CC1)[C@H]([NH3+])CCN2CC ZINC000685955367 538900730 /nfs/dbraw/zinc/90/07/30/538900730.db2.gz YLFRVGKAOOKGHD-OTTFEQOBSA-N 1 3 210.365 2.378 10 0 BEAEHO C[C@H](N(C)C[C@]1(C)CC[NH2+]C1)C(C)(C)C ZINC000062912003 349496262 /nfs/dbraw/zinc/49/62/62/349496262.db2.gz VHKPDJACYGASJG-WCQYABFASA-N 1 3 212.381 2.352 10 0 BEAEHO [NH3+]C[C@H]1CCN(C[C@@H]2CCCCC2(F)F)C1 ZINC000381700609 398270017 /nfs/dbraw/zinc/27/00/17/398270017.db2.gz OSIAREHDRLOPEC-MNOVXSKESA-N 1 3 232.318 2.093 10 0 BEAEHO NC[C@H]1CC[N@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000381700609 398270019 /nfs/dbraw/zinc/27/00/19/398270019.db2.gz OSIAREHDRLOPEC-MNOVXSKESA-N 1 3 232.318 2.093 10 0 BEAEHO NC[C@H]1CC[N@@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000381700609 398270022 /nfs/dbraw/zinc/27/00/22/398270022.db2.gz OSIAREHDRLOPEC-MNOVXSKESA-N 1 3 232.318 2.093 10 0 BEAEHO [NH3+]C[C@H]1CCN(C[C@H]2CCCCC2(F)F)C1 ZINC000381700606 398270157 /nfs/dbraw/zinc/27/01/57/398270157.db2.gz OSIAREHDRLOPEC-GHMZBOCLSA-N 1 3 232.318 2.093 10 0 BEAEHO NC[C@H]1CC[N@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000381700606 398270159 /nfs/dbraw/zinc/27/01/59/398270159.db2.gz OSIAREHDRLOPEC-GHMZBOCLSA-N 1 3 232.318 2.093 10 0 BEAEHO NC[C@H]1CC[N@@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000381700606 398270162 /nfs/dbraw/zinc/27/01/62/398270162.db2.gz OSIAREHDRLOPEC-GHMZBOCLSA-N 1 3 232.318 2.093 10 0 BEAEHO CC(C)[NH2+]C1CCN([C@H](C)C(C)C)CC1 ZINC000390002002 539020111 /nfs/dbraw/zinc/02/01/11/539020111.db2.gz UCKLACKLZAZHAX-GFCCVEGCSA-N 1 3 212.381 2.493 10 0 BEAEHO C[N@@H+](Cc1ccc2c(c1)CNCC2)CC1CC1 ZINC000211945949 343017436 /nfs/dbraw/zinc/01/74/36/343017436.db2.gz XLTQBAXSTOXZFH-UHFFFAOYSA-N 1 3 230.355 2.174 10 0 BEAEHO C[N@H+](Cc1ccc2c(c1)CNCC2)CC1CC1 ZINC000211945949 343017437 /nfs/dbraw/zinc/01/74/37/343017437.db2.gz XLTQBAXSTOXZFH-UHFFFAOYSA-N 1 3 230.355 2.174 10 0 BEAEHO CCSCC[NH2+]C[C@H]1CCN(C(C)C)C1 ZINC000128932902 343175859 /nfs/dbraw/zinc/17/58/59/343175859.db2.gz LZOSMFFUSKZMBJ-GFCCVEGCSA-N 1 3 230.421 2.059 10 0 BEAEHO CCSCCNC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000128932902 343175861 /nfs/dbraw/zinc/17/58/61/343175861.db2.gz LZOSMFFUSKZMBJ-GFCCVEGCSA-N 1 3 230.421 2.059 10 0 BEAEHO CCSCCNC[C@H]1CC[N@H+](C(C)C)C1 ZINC000128932902 343175863 /nfs/dbraw/zinc/17/58/63/343175863.db2.gz LZOSMFFUSKZMBJ-GFCCVEGCSA-N 1 3 230.421 2.059 10 0 BEAEHO C[C@H]1C[NH2+][C@@H](c2ccc(OCCN(C)C)cc2)C1 ZINC000003705119 187247115 /nfs/dbraw/zinc/24/71/15/187247115.db2.gz NUAMEKJUQIMRNT-IUODEOHRSA-N 1 3 248.370 2.298 10 0 BEAEHO CC[C@H]1CC[C@H](CCN2CCCC2)[NH2+]C1 ZINC000238303831 343255452 /nfs/dbraw/zinc/25/54/52/343255452.db2.gz ZNHJTBIWSIYVQQ-QWHCGFSZSA-N 1 3 210.365 2.251 10 0 BEAEHO CCCCOc1ccc(CNCCC[NH3+])cc1 ZINC000037713462 343352493 /nfs/dbraw/zinc/35/24/93/343352493.db2.gz IGWIVNWWYNMZDL-UHFFFAOYSA-N 1 3 236.359 2.304 10 0 BEAEHO CC(C)N1CC[C@H](C[NH2+][C@H](C)[C@H]2C[C@H]2C)C1 ZINC000321657780 343503861 /nfs/dbraw/zinc/50/38/61/343503861.db2.gz WHVICIVLOGPDPJ-SYQHCUMBSA-N 1 3 224.392 2.351 10 0 BEAEHO C[C@H]1C[C@H](C)C[NH+](CCCNC2CC2)C1 ZINC000037478514 537820018 /nfs/dbraw/zinc/82/00/18/537820018.db2.gz IENRIPWVIMJNFD-RYUDHWBXSA-N 1 3 210.365 2.106 10 0 BEAEHO C[C@H]1C[C@H](C)CN(CCC[NH2+]C2CC2)C1 ZINC000037478514 537820028 /nfs/dbraw/zinc/82/00/28/537820028.db2.gz IENRIPWVIMJNFD-RYUDHWBXSA-N 1 3 210.365 2.106 10 0 BEAEHO N[C@]12C[N@H+](Cc3ccccc3)C[C@H]1CCCC2 ZINC000307124521 344984088 /nfs/dbraw/zinc/98/40/88/344984088.db2.gz YSRKXDRZBDXBAH-HUUCEWRRSA-N 1 3 230.355 2.390 10 0 BEAEHO N[C@]12C[N@@H+](Cc3ccccc3)C[C@H]1CCCC2 ZINC000307124521 344984089 /nfs/dbraw/zinc/98/40/89/344984089.db2.gz YSRKXDRZBDXBAH-HUUCEWRRSA-N 1 3 230.355 2.390 10 0 BEAEHO C[C@@H]1CN(Cc2coc3ccccc23)C[C@@H]1C[NH3+] ZINC000634998090 345197418 /nfs/dbraw/zinc/19/74/18/345197418.db2.gz ANHCOFUNYRDIIL-NEPJUHHUSA-N 1 3 244.338 2.459 10 0 BEAEHO Cc1ccc(CN2C[C@H](C)[C@@H](C[NH3+])C2)s1 ZINC000634998710 345198286 /nfs/dbraw/zinc/19/82/86/345198286.db2.gz JNKPVLKOTDWMFG-ONGXEEELSA-N 1 3 224.373 2.083 10 0 BEAEHO C[C@H](Cc1ccsc1)N[C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400749614 345734395 /nfs/dbraw/zinc/73/43/95/345734395.db2.gz VFRKUTGRAISOEM-NTZNESFSSA-N 1 3 238.400 2.267 10 0 BEAEHO [NH3+]CCCOc1ccc(CN2CCCCC2)cc1 ZINC000034224152 345819837 /nfs/dbraw/zinc/81/98/37/345819837.db2.gz QEQGATBPZMOSLE-UHFFFAOYSA-N 1 3 248.370 2.400 10 0 BEAEHO Cc1ccccc1C[N@@H+]1CCCN[C@H](C)C1 ZINC000062609092 179273640 /nfs/dbraw/zinc/27/36/40/179273640.db2.gz AJGMAEBBERGERR-CYBMUJFWSA-N 1 3 218.344 2.179 10 0 BEAEHO Cc1ccccc1C[N@H+]1CCCN[C@H](C)C1 ZINC000062609092 179273642 /nfs/dbraw/zinc/27/36/42/179273642.db2.gz AJGMAEBBERGERR-CYBMUJFWSA-N 1 3 218.344 2.179 10 0 BEAEHO Cc1ccccc1C[N@@H+]1CCN[C@@H](C)CC1 ZINC000049662205 179273749 /nfs/dbraw/zinc/27/37/49/179273749.db2.gz GYUAJUNIKWOQQX-ZDUSSCGKSA-N 1 3 218.344 2.179 10 0 BEAEHO Cc1ccccc1C[N@H+]1CCN[C@@H](C)CC1 ZINC000049662205 179273752 /nfs/dbraw/zinc/27/37/52/179273752.db2.gz GYUAJUNIKWOQQX-ZDUSSCGKSA-N 1 3 218.344 2.179 10 0 BEAEHO Cc1ccccc1[C@@H](C)N1CCC([NH3+])CC1 ZINC000034958678 179318909 /nfs/dbraw/zinc/31/89/09/179318909.db2.gz OUJGEZAHHGZHDY-GFCCVEGCSA-N 1 3 218.344 2.479 10 0 BEAEHO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000563804507 323178270 /nfs/dbraw/zinc/17/82/70/323178270.db2.gz SKBBQGMGLYCSOD-LOWDOPEQSA-N 1 3 210.365 2.153 10 0 BEAEHO CCSC1(C[NH2+][C@H](C)[C@H]2CCCNC2)CC1 ZINC000596653572 348607177 /nfs/dbraw/zinc/60/71/77/348607177.db2.gz VOSXRSJQASIYTD-NEPJUHHUSA-N 1 3 242.432 2.250 10 0 BEAEHO Cc1nc2ccc(NC3CC[NH2+]CC3)cc2[nH]1 ZINC000038041382 180095164 /nfs/dbraw/zinc/09/51/64/180095164.db2.gz CHHJLCJBHDHEBW-UHFFFAOYSA-N 1 3 230.315 2.035 10 0 BEAEHO C[C@@H]1CO[C@@H](c2cc(F)ccc2F)C[NH2+]1 ZINC000036673464 187587002 /nfs/dbraw/zinc/58/70/02/187587002.db2.gz LQUOGVNESKSVEG-RDDDGLTNSA-N 1 3 213.227 2.014 10 0 BEAEHO CN(Cc1ccccc1)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000223109856 353136702 /nfs/dbraw/zinc/13/67/02/353136702.db2.gz RGEJNWVOHDUDKB-ZIAGYGMSSA-N 1 3 218.344 2.388 10 0 BEAEHO CC(C)[C@H](C)C[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000577946803 366126140 /nfs/dbraw/zinc/12/61/40/366126140.db2.gz SZKYAEAMMQCVBG-FRRDWIJNSA-N 1 3 212.381 2.256 10 0 BEAEHO CC(C)N1CC[C@H](C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000383809907 355358314 /nfs/dbraw/zinc/35/83/14/355358314.db2.gz POGJRQPEEFMITM-LXTVHRRPSA-N 1 3 236.403 2.495 10 0 BEAEHO CCC[C@H]1C[C@@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422959889 192527123 /nfs/dbraw/zinc/52/71/23/192527123.db2.gz AGZIZEOOKNUDMS-UVYIHGJDSA-N 1 3 208.349 2.048 10 0 BEAEHO CC(C)NC[C@@H]1C[NH2+]C[C@@H]1C1CCCCC1 ZINC000675050920 538473273 /nfs/dbraw/zinc/47/32/73/538473273.db2.gz ALZNMCSUTJWXQE-UONOGXRCSA-N 1 3 224.392 2.400 10 0 BEAEHO CCSCC[C@H](C)[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000583687498 357120218 /nfs/dbraw/zinc/12/02/18/357120218.db2.gz ICQYNDGHBDGNOV-AVGNSLFASA-N 1 3 244.448 2.496 10 0 BEAEHO C[C@@H]1CNC[C@H](C)[C@H]1[N@@H+]1CCCC1(C)C ZINC000685951370 538894544 /nfs/dbraw/zinc/89/45/44/538894544.db2.gz RMTLHLBEAMRCFX-GDNZZTSVSA-N 1 3 210.365 2.105 10 0 BEAEHO C[C@@H]1CNC[C@H](C)[C@H]1[N@H+]1CCCC1(C)C ZINC000685951370 538894546 /nfs/dbraw/zinc/89/45/46/538894546.db2.gz RMTLHLBEAMRCFX-GDNZZTSVSA-N 1 3 210.365 2.105 10 0 BEAEHO CC[C@@H]1CC[C@@H](C)[N@@H+]1[C@H]1[C@H](C)CNC[C@@H]1C ZINC000685951080 538894587 /nfs/dbraw/zinc/89/45/87/538894587.db2.gz MMZRJMSZIHTYQP-ITGHMWBKSA-N 1 3 224.392 2.493 10 0 BEAEHO CC[C@@H]1CC[C@@H](C)[N@H+]1[C@H]1[C@H](C)CNC[C@@H]1C ZINC000685951080 538894589 /nfs/dbraw/zinc/89/45/89/538894589.db2.gz MMZRJMSZIHTYQP-ITGHMWBKSA-N 1 3 224.392 2.493 10 0 BEAEHO CC(C)[NH+](C(C)C)C1[C@H](C)CNC[C@H]1C ZINC000685951105 538894729 /nfs/dbraw/zinc/89/47/29/538894729.db2.gz NASCSBQSQORPJN-VXGBXAGGSA-N 1 3 212.381 2.349 10 0 BEAEHO CC1CCC(C[N@@H+]2C[C@@H]3CCCN[C@@H]3C2)CC1 ZINC000219815720 134292132 /nfs/dbraw/zinc/29/21/32/134292132.db2.gz KKYAMEVBVGJCDL-PFSRBDOWSA-N 1 3 236.403 2.497 10 0 BEAEHO CC1CCC(C[N@H+]2C[C@@H]3CCCN[C@@H]3C2)CC1 ZINC000219815720 134292133 /nfs/dbraw/zinc/29/21/33/134292133.db2.gz KKYAMEVBVGJCDL-PFSRBDOWSA-N 1 3 236.403 2.497 10 0 BEAEHO NC[C@@]12CCC[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000306287051 359518346 /nfs/dbraw/zinc/51/83/46/359518346.db2.gz ZCCZVFYYURWFIW-LSDHHAIUSA-N 1 3 230.355 2.247 10 0 BEAEHO NC[C@@]12CCC[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000306287051 359518348 /nfs/dbraw/zinc/51/83/48/359518348.db2.gz ZCCZVFYYURWFIW-LSDHHAIUSA-N 1 3 230.355 2.247 10 0 BEAEHO CC[C@H](CSC)[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000578518557 366587795 /nfs/dbraw/zinc/58/77/95/366587795.db2.gz UWEIJYYJOUKYGD-GRYCIOLGSA-N 1 3 230.421 2.106 10 0 BEAEHO CCC[C@@H]1C[C@@H]1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000090175109 360062681 /nfs/dbraw/zinc/06/26/81/360062681.db2.gz CKUZDPSZJNLYIS-SYQHCUMBSA-N 1 3 222.376 2.391 10 0 BEAEHO CCC[C@@H]1C[C@@H]1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000090175109 360062686 /nfs/dbraw/zinc/06/26/86/360062686.db2.gz CKUZDPSZJNLYIS-SYQHCUMBSA-N 1 3 222.376 2.391 10 0 BEAEHO CCN(Cc1ccccc1)C[C@H](C[NH3+])C1CC1 ZINC000306586108 360485157 /nfs/dbraw/zinc/48/51/57/360485157.db2.gz RBYYIMDEBHOZKI-HNNXBMFYSA-N 1 3 232.371 2.493 10 0 BEAEHO CC(C)C[N@H+](C)Cc1cccc2c1CCNC2 ZINC000123895249 541318676 /nfs/dbraw/zinc/31/86/76/541318676.db2.gz LCJDPPDQIPVMEK-UHFFFAOYSA-N 1 3 232.371 2.420 10 0 BEAEHO CC(C)C[N@@H+](C)Cc1cccc2c1CCNC2 ZINC000123895249 541318680 /nfs/dbraw/zinc/31/86/80/541318680.db2.gz LCJDPPDQIPVMEK-UHFFFAOYSA-N 1 3 232.371 2.420 10 0 BEAEHO CO[C@@H]1CN(C[C@H](C)CC(C)C)[C@@](C)(C[NH3+])C1 ZINC000630370010 364088184 /nfs/dbraw/zinc/08/81/84/364088184.db2.gz YJAYDCHHHZHORS-HZSPNIEDSA-N 1 3 242.407 2.107 10 0 BEAEHO NC1(C[NH3+])CCC(c2ccccc2)CC1 ZINC000035676996 181359983 /nfs/dbraw/zinc/35/99/83/181359983.db2.gz WMSSLSOXQYDRIZ-UHFFFAOYSA-N 1 3 204.317 2.000 10 0 BEAEHO [NH3+]CCCN[C@@H]1CCc2cc(Cl)ccc21 ZINC000127405898 181384056 /nfs/dbraw/zinc/38/40/56/181384056.db2.gz UIZSDROUHDAPBK-GFCCVEGCSA-N 1 3 224.735 2.266 10 0 BEAEHO [NH3+]CCN(c1ccnc2ccccc21)C1CC1 ZINC000104325988 181390232 /nfs/dbraw/zinc/39/02/32/181390232.db2.gz ZQSHSMVTLBWLQA-UHFFFAOYSA-N 1 3 227.311 2.162 10 0 BEAEHO C[C@H](NCCOc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000574308204 365033458 /nfs/dbraw/zinc/03/34/58/365033458.db2.gz SGGKFFULWKQPAG-KBPBESRZSA-N 1 3 248.370 2.043 10 0 BEAEHO CCOCC(C)(C)C[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000574747852 365133913 /nfs/dbraw/zinc/13/39/13/365133913.db2.gz RCHGQECTVDMDPO-STQMWFEESA-N 1 3 242.407 2.027 10 0 BEAEHO C[C@@H]1CC(C[NH2+][C@@H]2CCC[C@@H](N)C2)C[C@@H](C)O1 ZINC000579613593 366908987 /nfs/dbraw/zinc/90/89/87/366908987.db2.gz VLFJVNQUGBMRPU-HBJVGIJOSA-N 1 3 240.391 2.050 10 0 BEAEHO C[C@H]1C[N@H+](CCCC2CCC2)C[C@@H]1CN ZINC000631836728 369088188 /nfs/dbraw/zinc/08/81/88/369088188.db2.gz FZKXJWXTONATET-AAEUAGOBSA-N 1 3 210.365 2.093 10 0 BEAEHO C[C@H]1C[N@@H+](CCCC2CCC2)C[C@@H]1CN ZINC000631836728 369088193 /nfs/dbraw/zinc/08/81/93/369088193.db2.gz FZKXJWXTONATET-AAEUAGOBSA-N 1 3 210.365 2.093 10 0 BEAEHO C[C@@H]1C[N@H+](C[C@H]2CCCCC2(F)F)C[C@H]1CN ZINC000631837817 369103973 /nfs/dbraw/zinc/10/39/73/369103973.db2.gz XLUNVEKWODRWFX-IJLUTSLNSA-N 1 3 246.345 2.339 10 0 BEAEHO C[C@@H]1C[N@@H+](C[C@H]2CCCCC2(F)F)C[C@H]1CN ZINC000631837817 369103975 /nfs/dbraw/zinc/10/39/75/369103975.db2.gz XLUNVEKWODRWFX-IJLUTSLNSA-N 1 3 246.345 2.339 10 0 BEAEHO C[C@@H]1C[N@H+](CC2CCCCC2)C[C@@H]1CN ZINC000631839740 369170515 /nfs/dbraw/zinc/17/05/15/369170515.db2.gz KFMZMSKVSFPESR-YPMHNXCESA-N 1 3 210.365 2.093 10 0 BEAEHO C[C@@H]1C[N@@H+](CC2CCCCC2)C[C@@H]1CN ZINC000631839740 369170519 /nfs/dbraw/zinc/17/05/19/369170519.db2.gz KFMZMSKVSFPESR-YPMHNXCESA-N 1 3 210.365 2.093 10 0 BEAEHO C[C@H]1C[N@H+](CCCC(C)(C)C)C[C@@H]1CN ZINC000631837830 372630283 /nfs/dbraw/zinc/63/02/83/372630283.db2.gz FYGCXUVPJRURON-RYUDHWBXSA-N 1 3 212.381 2.339 10 0 BEAEHO C[C@H]1C[N@@H+](CCCC(C)(C)C)C[C@@H]1CN ZINC000631837830 372630286 /nfs/dbraw/zinc/63/02/86/372630286.db2.gz FYGCXUVPJRURON-RYUDHWBXSA-N 1 3 212.381 2.339 10 0 BEAEHO C[C@H](c1ccccc1)[N@@H+]1C[C@@H](C)[C@@H](CN)C1 ZINC000631843057 372641092 /nfs/dbraw/zinc/64/10/92/372641092.db2.gz IYTBBTLFGLFRGA-BZPMIXESSA-N 1 3 218.344 2.274 10 0 BEAEHO C[C@H](c1ccccc1)[N@H+]1C[C@@H](C)[C@@H](CN)C1 ZINC000631843057 372641096 /nfs/dbraw/zinc/64/10/96/372641096.db2.gz IYTBBTLFGLFRGA-BZPMIXESSA-N 1 3 218.344 2.274 10 0 BEAEHO Cc1cc(C)cc(CN2C[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000631844458 372642950 /nfs/dbraw/zinc/64/29/50/372642950.db2.gz XLDPZFZRFUFVRV-HIFRSBDPSA-N 1 3 232.371 2.330 10 0 BEAEHO Cc1cc(C)cc(C[N@H+]2C[C@@H](C)[C@@H](CN)C2)c1 ZINC000631844458 372642956 /nfs/dbraw/zinc/64/29/56/372642956.db2.gz XLDPZFZRFUFVRV-HIFRSBDPSA-N 1 3 232.371 2.330 10 0 BEAEHO Cc1cc(C)cc(C[N@@H+]2C[C@@H](C)[C@@H](CN)C2)c1 ZINC000631844458 372642958 /nfs/dbraw/zinc/64/29/58/372642958.db2.gz XLDPZFZRFUFVRV-HIFRSBDPSA-N 1 3 232.371 2.330 10 0 BEAEHO Cc1cc(C)cc(CN2C[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000631844460 372643423 /nfs/dbraw/zinc/64/34/23/372643423.db2.gz XLDPZFZRFUFVRV-ZFWWWQNUSA-N 1 3 232.371 2.330 10 0 BEAEHO Cc1cc(C)cc(C[N@H+]2C[C@H](C)[C@@H](CN)C2)c1 ZINC000631844460 372643427 /nfs/dbraw/zinc/64/34/27/372643427.db2.gz XLDPZFZRFUFVRV-ZFWWWQNUSA-N 1 3 232.371 2.330 10 0 BEAEHO Cc1cc(C)cc(C[N@@H+]2C[C@H](C)[C@@H](CN)C2)c1 ZINC000631844460 372643432 /nfs/dbraw/zinc/64/34/32/372643432.db2.gz XLDPZFZRFUFVRV-ZFWWWQNUSA-N 1 3 232.371 2.330 10 0 BEAEHO CCN1CC[C@H](C[NH3+])[C@@H]1c1cccs1 ZINC000069797045 373807076 /nfs/dbraw/zinc/80/70/76/373807076.db2.gz QLFKYTPQXNLPEE-MWLCHTKSSA-N 1 3 210.346 2.090 10 0 BEAEHO CCC[N@H+](CCN(C)C)C[C@](C)(CN)CCC ZINC000051254305 169158600 /nfs/dbraw/zinc/15/86/00/169158600.db2.gz ZYKCFEUOIDCJKF-AWEZNQCLSA-N 1 3 243.439 2.025 10 0 BEAEHO CCC[N@@H+](CCN(C)C)C[C@](C)(CN)CCC ZINC000051254305 169158602 /nfs/dbraw/zinc/15/86/02/169158602.db2.gz ZYKCFEUOIDCJKF-AWEZNQCLSA-N 1 3 243.439 2.025 10 0 BEAEHO CCC[NH+]1CCC(Nc2ccncc2)CC1 ZINC000049558069 169189471 /nfs/dbraw/zinc/18/94/71/169189471.db2.gz RGNRBPKVXCLAKN-UHFFFAOYSA-N 1 3 219.332 2.368 10 0 BEAEHO CCC[NH2+]CC1(CN(C)CCC)CCOCC1 ZINC000052181331 169257597 /nfs/dbraw/zinc/25/75/97/169257597.db2.gz XTKZYBOBCHJMFJ-UHFFFAOYSA-N 1 3 242.407 2.125 10 0 BEAEHO CCCNCC[C@@H](C)[N@H+](C)CC1CCOCC1 ZINC000104195009 169260297 /nfs/dbraw/zinc/26/02/97/169260297.db2.gz CZTOXMKKGBONCT-CYBMUJFWSA-N 1 3 242.407 2.123 10 0 BEAEHO CCCNCC[C@@H](C)[N@@H+](C)CC1CCOCC1 ZINC000104195009 169260299 /nfs/dbraw/zinc/26/02/99/169260299.db2.gz CZTOXMKKGBONCT-CYBMUJFWSA-N 1 3 242.407 2.123 10 0 BEAEHO CCC[NH2+]CC[C@@H](C)N(C)CC1CCOCC1 ZINC000104195009 169260300 /nfs/dbraw/zinc/26/03/00/169260300.db2.gz CZTOXMKKGBONCT-CYBMUJFWSA-N 1 3 242.407 2.123 10 0 BEAEHO CCC[NH2+]CC[C@H](C)N(CCC)CCN(C)C ZINC000052544296 169261605 /nfs/dbraw/zinc/26/16/05/169261605.db2.gz AQVRUSXZAMAYFB-AWEZNQCLSA-N 1 3 243.439 2.038 10 0 BEAEHO CCCN[C@H](C)c1csc(CC[NH+](C)C)n1 ZINC000076810805 169288020 /nfs/dbraw/zinc/28/80/20/169288020.db2.gz KMGNVPBOMGGGGK-SNVBAGLBSA-N 1 3 241.404 2.308 10 0 BEAEHO CCC[NH2+]C[C@@](C)(CC)CN(CCO)C(C)C ZINC000051284712 169264092 /nfs/dbraw/zinc/26/40/92/169264092.db2.gz BUSNOVMDCMSXEV-CQSZACIVSA-N 1 3 244.423 2.105 10 0 BEAEHO CCC[NH2+][C@@H]1CCN(C(C)(C)C)C[C@@H]1C ZINC000049694126 169282111 /nfs/dbraw/zinc/28/21/11/169282111.db2.gz KRHZOUMILCWZEV-NWDGAFQWSA-N 1 3 212.381 2.495 10 0 BEAEHO CCCO[C@@H]1CCCN([C@@](C)(C[NH3+])C(C)C)C1 ZINC000042421220 169312357 /nfs/dbraw/zinc/31/23/57/169312357.db2.gz QPJPUMKOIJOMOD-KGLIPLIRSA-N 1 3 242.407 2.251 10 0 BEAEHO CCC[C@@H](CN)[N@@H+]1CCc2ccccc2C1 ZINC000022167885 169383648 /nfs/dbraw/zinc/38/36/48/169383648.db2.gz VLUJGDFFOMQRJF-AWEZNQCLSA-N 1 3 218.344 2.172 10 0 BEAEHO CCC[C@@H](CN)[N@H+]1CCc2ccccc2C1 ZINC000022167885 169383649 /nfs/dbraw/zinc/38/36/49/169383649.db2.gz VLUJGDFFOMQRJF-AWEZNQCLSA-N 1 3 218.344 2.172 10 0 BEAEHO CN(C)[C@@H]1CC[C@@H]([NH2+]C2CC(C)(C)C2)C1 ZINC000309038341 384393876 /nfs/dbraw/zinc/39/38/76/384393876.db2.gz JOSLALXYAPVKEH-ZYHUDNBSSA-N 1 3 210.365 2.247 10 0 BEAEHO [NH3+][C@H]1CC[C@H](NCc2cnc(Cl)s2)CC1 ZINC000100267991 384627724 /nfs/dbraw/zinc/62/77/24/384627724.db2.gz FAVMBQGEOHMFTM-OCAPTIKFSA-N 1 3 245.779 2.156 10 0 BEAEHO C[C@]1([NH2+]C[C@H]2CCCNC2)CC=CCC1 ZINC000334852421 384748781 /nfs/dbraw/zinc/74/87/81/384748781.db2.gz GWFUHOQPCLJMGW-STQMWFEESA-N 1 3 208.349 2.074 10 0 BEAEHO C[C@]1([NH2+]C[C@@H]2CCCNC2)CC=CCC1 ZINC000334852407 384749179 /nfs/dbraw/zinc/74/91/79/384749179.db2.gz GWFUHOQPCLJMGW-OLZOCXBDSA-N 1 3 208.349 2.074 10 0 BEAEHO CC(C)C[C@@H]([NH3+])CNCCc1ccccc1 ZINC000107770138 384784618 /nfs/dbraw/zinc/78/46/18/384784618.db2.gz TWRCTYNCDUNSNJ-CQSZACIVSA-N 1 3 220.360 2.192 10 0 BEAEHO Cc1ccc(CNCC[C@@H](C)[NH3+])cc1C ZINC000258654235 384934916 /nfs/dbraw/zinc/93/49/16/384934916.db2.gz AWIZQUJPLQALSU-GFCCVEGCSA-N 1 3 206.333 2.130 10 0 BEAEHO Cc1cc(C)c(CNCC[C@@H](C)[NH3+])c(C)c1 ZINC000258849376 384947418 /nfs/dbraw/zinc/94/74/18/384947418.db2.gz XEIVVVHXKVYWDN-CYBMUJFWSA-N 1 3 220.360 2.439 10 0 BEAEHO CCc1ccc([C@@H](C)NCCC[NH3+])s1 ZINC000044376617 385201560 /nfs/dbraw/zinc/20/15/60/385201560.db2.gz NYKMOCOQOIQSDP-SECBINFHSA-N 1 3 212.362 2.310 10 0 BEAEHO C[C@@H]1C[C@@H]([NH2+][C@H]2CCNC2)CC(C)(C)C1 ZINC000414864991 385770218 /nfs/dbraw/zinc/77/02/18/385770218.db2.gz CKCDTTSOKDNWMP-GRYCIOLGSA-N 1 3 210.365 2.153 10 0 BEAEHO C[C@H]([NH2+]CC1CC(C)(C)C1)[C@@H]1CCCNC1 ZINC000520216771 386601270 /nfs/dbraw/zinc/60/12/70/386601270.db2.gz DLYURNFPCJIEBM-WCQYABFASA-N 1 3 224.392 2.400 10 0 BEAEHO C[C@H]1CC(C)(C)C[N@@H+]1C[C@H]1CCCNC1 ZINC000334854425 386905094 /nfs/dbraw/zinc/90/50/94/386905094.db2.gz MXRGYIRBIBGOLL-RYUDHWBXSA-N 1 3 210.365 2.106 10 0 BEAEHO C[C@H]1CC(C)(C)C[N@H+]1C[C@H]1CCCNC1 ZINC000334854425 386905099 /nfs/dbraw/zinc/90/50/99/386905099.db2.gz MXRGYIRBIBGOLL-RYUDHWBXSA-N 1 3 210.365 2.106 10 0 BEAEHO N[C@H](CCC[NH3+])c1c(F)cccc1Cl ZINC000575438757 387120282 /nfs/dbraw/zinc/12/02/82/387120282.db2.gz ICDYSELXSILINB-SECBINFHSA-N 1 3 216.687 2.218 10 0 BEAEHO N[C@@H](CCCC[NH3+])c1c(F)cccc1F ZINC000575440349 387127467 /nfs/dbraw/zinc/12/74/67/387127467.db2.gz PEHJCJQUIJMJDL-JTQLQIEISA-N 1 3 214.259 2.094 10 0 BEAEHO N[C@@H](CCCC[NH3+])c1c(F)ccc(F)c1F ZINC000575440198 387127915 /nfs/dbraw/zinc/12/79/15/387127915.db2.gz NSAHALGRALHWJJ-VIFPVBQESA-N 1 3 232.249 2.233 10 0 BEAEHO N[C@@H](CCCC[NH3+])c1cccc(F)c1F ZINC000575440455 387135407 /nfs/dbraw/zinc/13/54/07/387135407.db2.gz WCRWAGKKWJVAPF-JTQLQIEISA-N 1 3 214.259 2.094 10 0 BEAEHO CC[C@H](C)[C@H](CN[C@@H](C)[C@H]1CCC[NH2+]C1)OC ZINC000572234170 387283656 /nfs/dbraw/zinc/28/36/56/387283656.db2.gz FEMNKQVVEXGLPR-XUXIUFHCSA-N 1 3 242.407 2.025 10 0 BEAEHO CC[C@H](C)[C@H](C[NH2+][C@@H](C)[C@H]1CCCNC1)OC ZINC000572234170 387283660 /nfs/dbraw/zinc/28/36/60/387283660.db2.gz FEMNKQVVEXGLPR-XUXIUFHCSA-N 1 3 242.407 2.025 10 0 BEAEHO CC[C@H](C)[C@H](CN[C@H](C)[C@H]1CCC[NH2+]C1)OC ZINC000572234166 387284183 /nfs/dbraw/zinc/28/41/83/387284183.db2.gz FEMNKQVVEXGLPR-CRWXNKLISA-N 1 3 242.407 2.025 10 0 BEAEHO CC[C@H](C)[C@H](C[NH2+][C@H](C)[C@H]1CCCNC1)OC ZINC000572234166 387284187 /nfs/dbraw/zinc/28/41/87/387284187.db2.gz FEMNKQVVEXGLPR-CRWXNKLISA-N 1 3 242.407 2.025 10 0 BEAEHO C[C@H](C[NH2+][C@@H]1CCCNCC1)CC(F)(F)F ZINC000396897897 387509020 /nfs/dbraw/zinc/50/90/20/387509020.db2.gz AISHFZSFLKIGMW-VHSXEESVSA-N 1 3 238.297 2.307 10 0 BEAEHO CC[C@]1(N)CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000575562204 387700885 /nfs/dbraw/zinc/70/08/85/387700885.db2.gz ZHXPTTZXIIJRLF-JSGCOSHPSA-N 1 3 218.344 2.388 10 0 BEAEHO CC[C@]1(N)CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000575562204 387700888 /nfs/dbraw/zinc/70/08/88/387700888.db2.gz ZHXPTTZXIIJRLF-JSGCOSHPSA-N 1 3 218.344 2.388 10 0 BEAEHO C[C@H](N[C@@H]1CCc2ccccc2C1)[C@H]1CC[NH2+]C1 ZINC000400482579 387972697 /nfs/dbraw/zinc/97/26/97/387972697.db2.gz GBPRQIQKBSRMAP-VBNZEHGJSA-N 1 3 244.382 2.132 10 0 BEAEHO C1CC1[N@@H+]1CCC[C@H]2CN(C3CCC3)CC[C@H]21 ZINC000245595637 388424915 /nfs/dbraw/zinc/42/49/15/388424915.db2.gz IJMIXASKKHRQSM-SWLSCSKDSA-N 1 3 234.387 2.488 10 0 BEAEHO C1CC1[N@H+]1CCC[C@H]2CN(C3CCC3)CC[C@H]21 ZINC000245595637 388424917 /nfs/dbraw/zinc/42/49/17/388424917.db2.gz IJMIXASKKHRQSM-SWLSCSKDSA-N 1 3 234.387 2.488 10 0 BEAEHO CSC1(C[NH2+][C@@H](C)[C@@H]2CCCNC2)CCC1 ZINC000517122843 388538543 /nfs/dbraw/zinc/53/85/43/388538543.db2.gz LBRFARMCBXBXEM-NWDGAFQWSA-N 1 3 242.432 2.250 10 0 BEAEHO N[C@H](CCCC[NH3+])c1c(F)cccc1F ZINC000575439962 388630081 /nfs/dbraw/zinc/63/00/81/388630081.db2.gz PEHJCJQUIJMJDL-SNVBAGLBSA-N 1 3 214.259 2.094 10 0 BEAEHO C[C@@H](N[C@@H](C)c1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400335424 533505785 /nfs/dbraw/zinc/50/57/85/533505785.db2.gz FFONLLMNIKRLNV-OUCADQQQSA-N 1 3 218.344 2.335 10 0 BEAEHO c1cc(N2CCC3(CC[NH2+]CC3)CC2)ccn1 ZINC000034774912 132336849 /nfs/dbraw/zinc/33/68/49/132336849.db2.gz UURPZDUBVYSYRO-UHFFFAOYSA-N 1 3 231.343 2.052 10 0 BEAEHO CC[NH2+]C[C@H]1CCCCN1c1ccncc1 ZINC000053698240 132363168 /nfs/dbraw/zinc/36/31/68/132363168.db2.gz IDYAQSAFHZRFAS-CYBMUJFWSA-N 1 3 219.332 2.050 10 0 BEAEHO CC[NH2+][C@H](C)[C@@H]1CCCCN1c1ccncc1 ZINC000104414990 132436816 /nfs/dbraw/zinc/43/68/16/132436816.db2.gz XMELWONUEPCIJD-OCCSQVGLSA-N 1 3 233.359 2.439 10 0 BEAEHO c1cc(CN2CCC(C[NH+]3CCCC3)CC2)c[nH]1 ZINC000180124085 134323472 /nfs/dbraw/zinc/32/34/72/134323472.db2.gz FSYAUYVRVVINDV-UHFFFAOYSA-N 1 3 247.386 2.323 10 0 BEAEHO C[C@@H]1[C@@H]([NH3+])CCN1CC1CCC(C)CC1 ZINC000261536978 135109064 /nfs/dbraw/zinc/10/90/64/135109064.db2.gz ULIUWVVUIDXIOR-KPFVRQRISA-N 1 3 210.365 2.234 10 0 BEAEHO C[C@@H]1C[C@H](CN)C[N@@H+]1C[C@H]1CCCC(F)(F)C1 ZINC000261538246 135175274 /nfs/dbraw/zinc/17/52/74/135175274.db2.gz UGEOONNLIBNMLK-GRYCIOLGSA-N 1 3 246.345 2.481 10 0 BEAEHO C[C@@H]1C[C@H](CN)C[N@H+]1C[C@H]1CCCC(F)(F)C1 ZINC000261538246 135175275 /nfs/dbraw/zinc/17/52/75/135175275.db2.gz UGEOONNLIBNMLK-GRYCIOLGSA-N 1 3 246.345 2.481 10 0 BEAEHO C[NH2+]C[C@@H]1CCN(C[C@@H]2CCCC(F)(F)C2)C1 ZINC000261538277 135175403 /nfs/dbraw/zinc/17/54/03/135175403.db2.gz VCIOJOMDSVQUED-NEPJUHHUSA-N 1 3 246.345 2.353 10 0 BEAEHO [NH3+]C[C@@H]1CCCN(C[C@@H]2CCCC(F)(F)C2)C1 ZINC000261538155 135175516 /nfs/dbraw/zinc/17/55/16/135175516.db2.gz JYNKNPGEKVJAPV-NEPJUHHUSA-N 1 3 246.345 2.483 10 0 BEAEHO NC[C@@H]1CCC[N@H+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC000261538155 135175517 /nfs/dbraw/zinc/17/55/17/135175517.db2.gz JYNKNPGEKVJAPV-NEPJUHHUSA-N 1 3 246.345 2.483 10 0 BEAEHO NC[C@@H]1CCC[N@@H+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC000261538155 135175518 /nfs/dbraw/zinc/17/55/18/135175518.db2.gz JYNKNPGEKVJAPV-NEPJUHHUSA-N 1 3 246.345 2.483 10 0 BEAEHO CC1CCC(C[N@@H+]2CCC[C@@H](CN)C2)CC1 ZINC000084339658 135210496 /nfs/dbraw/zinc/21/04/96/135210496.db2.gz SPFWUHOXAFEVFU-RUXDESIVSA-N 1 3 224.392 2.483 10 0 BEAEHO CC1CCC(C[N@H+]2CCC[C@@H](CN)C2)CC1 ZINC000084339658 135210498 /nfs/dbraw/zinc/21/04/98/135210498.db2.gz SPFWUHOXAFEVFU-RUXDESIVSA-N 1 3 224.392 2.483 10 0 BEAEHO C[C@H]([NH2+]CCCC1CC1)[C@H]1CCCNC1 ZINC000564826235 398045899 /nfs/dbraw/zinc/04/58/99/398045899.db2.gz HPDUFYKOJLAGFN-AAEUAGOBSA-N 1 3 210.365 2.154 10 0 BEAEHO C[C@H](CCC1CC1)[NH2+][C@H]1CCC[C@@H]1CN ZINC000398074224 397977837 /nfs/dbraw/zinc/97/78/37/397977837.db2.gz KKKPFGNLGQAELN-RTXFEEFZSA-N 1 3 210.365 2.282 10 0 BEAEHO CC(C)C[NH2+]CCCCN1CCOCC1(C)C ZINC000052546025 167002830 /nfs/dbraw/zinc/00/28/30/167002830.db2.gz LGUDIJCOALSLKE-UHFFFAOYSA-N 1 3 242.407 2.123 10 0 BEAEHO CC(C)[NH2+]CCC[C@H](C)N1CCOCC1(C)C ZINC000052546159 167102015 /nfs/dbraw/zinc/10/20/15/167102015.db2.gz BISSCBIWGASXJY-ZDUSSCGKSA-N 1 3 242.407 2.264 10 0 BEAEHO CC(C)Oc1ccc([C@H](C)NCCC[NH3+])cc1 ZINC000037713329 167301320 /nfs/dbraw/zinc/30/13/20/167301320.db2.gz XVAMSQNQPXWYHR-LBPRGKRZSA-N 1 3 236.359 2.473 10 0 BEAEHO CC(C)[C@@H](C)N(C)Cc1ccccc1C(N)=[NH2+] ZINC000036787463 167367524 /nfs/dbraw/zinc/36/75/24/167367524.db2.gz LXTRHTQTNRHVHA-LLVKDONJSA-N 1 3 233.359 2.447 10 0 BEAEHO C[C@H](CN[C@H](C)[C@@H]1CCC[NH2+]C1)c1ccccn1 ZINC000656783027 411360086 /nfs/dbraw/zinc/36/00/86/411360086.db2.gz MCDMYQKOMQHFDT-MGPQQGTHSA-N 1 3 247.386 2.163 10 0 BEAEHO C[C@H](C[NH2+][C@H](C)[C@@H]1CCCNC1)c1ccccn1 ZINC000656783027 411360089 /nfs/dbraw/zinc/36/00/89/411360089.db2.gz MCDMYQKOMQHFDT-MGPQQGTHSA-N 1 3 247.386 2.163 10 0 BEAEHO CC1CC[NH+](CC[C@@H](N)C(C)(C)C)CC1 ZINC000026510923 168182904 /nfs/dbraw/zinc/18/29/04/168182904.db2.gz DGNOIYCJULJQJE-GFCCVEGCSA-N 1 3 212.381 2.482 10 0 BEAEHO CC1CCN(CC[C@@H]([NH3+])C(C)(C)C)CC1 ZINC000026510923 168182906 /nfs/dbraw/zinc/18/29/06/168182906.db2.gz DGNOIYCJULJQJE-GFCCVEGCSA-N 1 3 212.381 2.482 10 0 BEAEHO CCNC[C@H](C)C[N@H+](C)CC1CCCC1 ZINC000069625404 170121516 /nfs/dbraw/zinc/12/15/16/170121516.db2.gz WJBMXZHIVRNCJQ-LBPRGKRZSA-N 1 3 212.381 2.354 10 0 BEAEHO CCNC[C@H](C)C[N@@H+](C)CC1CCCC1 ZINC000069625404 170121518 /nfs/dbraw/zinc/12/15/18/170121518.db2.gz WJBMXZHIVRNCJQ-LBPRGKRZSA-N 1 3 212.381 2.354 10 0 BEAEHO CC[NH2+]C[C@H](C)CN(C)CC1CCCC1 ZINC000069625404 170121521 /nfs/dbraw/zinc/12/15/21/170121521.db2.gz WJBMXZHIVRNCJQ-LBPRGKRZSA-N 1 3 212.381 2.354 10 0 BEAEHO CC[NH2+][C@@H]1CCN(CC(C)(C)C)C[C@@H]1C ZINC000049713169 170151604 /nfs/dbraw/zinc/15/16/04/170151604.db2.gz CIWPUYJPDHRDOJ-NWDGAFQWSA-N 1 3 212.381 2.352 10 0 BEAEHO CC[C@@H]1CC[C@H](CN)[C@H]([N@H+](C)CCCOC)C1 ZINC000062029616 171055436 /nfs/dbraw/zinc/05/54/36/171055436.db2.gz SSJQXAJLUJDSAW-MGPQQGTHSA-N 1 3 242.407 2.108 10 0 BEAEHO CC[C@@H]1CC[C@H](CN)[C@H]([N@@H+](C)CCCOC)C1 ZINC000062029616 171055437 /nfs/dbraw/zinc/05/54/37/171055437.db2.gz SSJQXAJLUJDSAW-MGPQQGTHSA-N 1 3 242.407 2.108 10 0 BEAEHO CC[C@@H]1CN([C@@H](C)CCC[NH2+]C(C)C)CCO1 ZINC000052477270 171094845 /nfs/dbraw/zinc/09/48/45/171094845.db2.gz KPOXFOUFWCSTLA-UONOGXRCSA-N 1 3 242.407 2.264 10 0 BEAEHO CC[C@@H]1COCCN1CCCCC[NH2+]C(C)C ZINC000052481589 171106210 /nfs/dbraw/zinc/10/62/10/171106210.db2.gz MZXWMBAWURLSHK-CQSZACIVSA-N 1 3 242.407 2.266 10 0 BEAEHO CC[C@H](C)[N@H+](CCOC)[C@@H]1CCCC[C@@H]1CN ZINC000042562933 171316065 /nfs/dbraw/zinc/31/60/65/171316065.db2.gz FKKSHPMCDFMGTM-BFHYXJOUSA-N 1 3 242.407 2.251 10 0 BEAEHO CC[C@H](C)[N@@H+](CCOC)[C@@H]1CCCC[C@@H]1CN ZINC000042562933 171316068 /nfs/dbraw/zinc/31/60/68/171316068.db2.gz FKKSHPMCDFMGTM-BFHYXJOUSA-N 1 3 242.407 2.251 10 0 BEAEHO CC[C@H](C)CC[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000665238114 412177670 /nfs/dbraw/zinc/17/76/70/412177670.db2.gz QXNHFVDSIFILJJ-YNEHKIRRSA-N 1 3 212.381 2.400 10 0 BEAEHO C[C@H]1C[C@H](C[NH2+][C@H]2CCNC2)C[C@@H](C)C1 ZINC000665239789 412179606 /nfs/dbraw/zinc/17/96/06/412179606.db2.gz ZGCXYWOZSVRBJP-LOWDOPEQSA-N 1 3 210.365 2.010 10 0 BEAEHO C[C@H]([NH2+]CCC(C)(C)F)[C@H]1CCCNC1 ZINC000665261703 412203508 /nfs/dbraw/zinc/20/35/08/412203508.db2.gz JWQOWITXRZHGER-QWRGUYRKSA-N 1 3 216.344 2.102 10 0 BEAEHO C[C@@H]([NH2+]CCC(C)(C)F)[C@@H]1CCCNC1 ZINC000665261701 412203830 /nfs/dbraw/zinc/20/38/30/412203830.db2.gz JWQOWITXRZHGER-GHMZBOCLSA-N 1 3 216.344 2.102 10 0 BEAEHO CN1CCCC[C@H]1CC[NH2+]CCc1ccccn1 ZINC000049773269 173007383 /nfs/dbraw/zinc/00/73/83/173007383.db2.gz OLAQWQQDAMYTPL-HNNXBMFYSA-N 1 3 247.386 2.088 10 0 BEAEHO C[N@@H+]1CCCC[C@H]1CCNCCc1ccccn1 ZINC000049773269 173007384 /nfs/dbraw/zinc/00/73/84/173007384.db2.gz OLAQWQQDAMYTPL-HNNXBMFYSA-N 1 3 247.386 2.088 10 0 BEAEHO C[N@H+]1CCCC[C@H]1CCNCCc1ccccn1 ZINC000049773269 173007386 /nfs/dbraw/zinc/00/73/86/173007386.db2.gz OLAQWQQDAMYTPL-HNNXBMFYSA-N 1 3 247.386 2.088 10 0 BEAEHO CN1CC[C@@H](C[NH2+]Cc2cccc(Cl)c2)C1 ZINC000037484681 173116411 /nfs/dbraw/zinc/11/64/11/173116411.db2.gz FZSXLTDQEVQDQN-LBPRGKRZSA-N 1 3 238.762 2.381 10 0 BEAEHO CN1CC[C@H](C[NH2+]Cc2ccc(Cl)cc2)C1 ZINC000037484573 173146957 /nfs/dbraw/zinc/14/69/57/173146957.db2.gz IKVBNPRFNJYJAO-GFCCVEGCSA-N 1 3 238.762 2.381 10 0 BEAEHO CNC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000037241962 173324251 /nfs/dbraw/zinc/32/42/51/173324251.db2.gz WDJGHEOGTJJGHC-YPMHNXCESA-N 1 3 210.365 2.249 10 0 BEAEHO CNC[C@@H]1CC[N@@H+](C2(C)CCCCC2)C1 ZINC000053034214 173369632 /nfs/dbraw/zinc/36/96/32/173369632.db2.gz PTBLZHSMLIYUIK-LBPRGKRZSA-N 1 3 210.365 2.251 10 0 BEAEHO CNC[C@@H]1CC[N@H+](C2(C)CCCCC2)C1 ZINC000053034214 173369633 /nfs/dbraw/zinc/36/96/33/173369633.db2.gz PTBLZHSMLIYUIK-LBPRGKRZSA-N 1 3 210.365 2.251 10 0 BEAEHO CNCc1occc1C[NH+]1CCC(C)CC1 ZINC000052376983 173399815 /nfs/dbraw/zinc/39/98/15/173399815.db2.gz PPBSAMVIZKWNKB-UHFFFAOYSA-N 1 3 222.332 2.231 10 0 BEAEHO C[NH2+][C@H](CCN1CCC(OC)CC1)C(C)(C)C ZINC000054027714 173451740 /nfs/dbraw/zinc/45/17/40/173451740.db2.gz WHIVUECHPDIFHN-CYBMUJFWSA-N 1 3 242.407 2.121 10 0 BEAEHO COCCN(C1CC1)[C@@]1(C[NH3+])CCCC[C@H]1C ZINC000042517899 174285546 /nfs/dbraw/zinc/28/55/46/174285546.db2.gz FEMBKSWMOJKWQO-TZMCWYRMSA-N 1 3 240.391 2.005 10 0 BEAEHO COCCN(CC(C)C)[C@@H](C)CC[NH2+]C(C)C ZINC000052508777 174286958 /nfs/dbraw/zinc/28/69/58/174286958.db2.gz FYJNNJNMDHAWCV-AWEZNQCLSA-N 1 3 244.423 2.367 10 0 BEAEHO COCCN(CC1(C[NH3+])CCCCC1)C1CC1 ZINC000051253327 174287962 /nfs/dbraw/zinc/28/79/62/174287962.db2.gz ACGPPHAHSZMGKP-UHFFFAOYSA-N 1 3 240.391 2.006 10 0 BEAEHO COCC[N@H+](CC1(CN)CCCCC1)C1CC1 ZINC000051253327 174287964 /nfs/dbraw/zinc/28/79/64/174287964.db2.gz ACGPPHAHSZMGKP-UHFFFAOYSA-N 1 3 240.391 2.006 10 0 BEAEHO COCC[N@@H+](CC1(CN)CCCCC1)C1CC1 ZINC000051253327 174287966 /nfs/dbraw/zinc/28/79/66/174287966.db2.gz ACGPPHAHSZMGKP-UHFFFAOYSA-N 1 3 240.391 2.006 10 0 BEAEHO COc1ccc(C)cc1[C@H](CCC[NH3+])N(C)C ZINC000019673882 175082555 /nfs/dbraw/zinc/08/25/55/175082555.db2.gz VSPQCHPSQIJHTB-ZDUSSCGKSA-N 1 3 236.359 2.345 10 0 BEAEHO C[C@@H]1CCCC[C@@H]1C[NH+]1CCCNCCC1 ZINC000042867336 176075665 /nfs/dbraw/zinc/07/56/65/176075665.db2.gz CFOVPAXGHVIEDF-ZIAGYGMSSA-N 1 3 224.392 2.498 10 0 BEAEHO C[C@@H]1CN(CCCC[NH2+]C(C)(C)C)[C@H](C)CO1 ZINC000052476234 176288039 /nfs/dbraw/zinc/28/80/39/176288039.db2.gz YJUJCCXTFNVEIQ-CHWSQXEVSA-N 1 3 242.407 2.264 10 0 BEAEHO C[C@@H]1CN([C@@H]2CCCCC[C@@H]2C[NH3+])C[C@@H](C)O1 ZINC000037157220 176315171 /nfs/dbraw/zinc/31/51/71/176315171.db2.gz UPXAXZZNSBLZRV-AAVRWANBSA-N 1 3 240.391 2.003 10 0 BEAEHO C[C@@H]1C[NH2+]CCCN([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000044660185 176324536 /nfs/dbraw/zinc/32/45/36/176324536.db2.gz MCNYFOSFCSNYAW-FVQBIDKESA-N 1 3 244.382 2.474 10 0 BEAEHO C[C@@H]1C[C@@H](N)[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000101417867 176370989 /nfs/dbraw/zinc/37/09/89/176370989.db2.gz MPGWATXLKGPBOP-YRGRVCCFSA-N 1 3 218.344 2.244 10 0 BEAEHO C[C@@H]1C[C@@H](N)[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000101417867 176370991 /nfs/dbraw/zinc/37/09/91/176370991.db2.gz MPGWATXLKGPBOP-YRGRVCCFSA-N 1 3 218.344 2.244 10 0 BEAEHO C[C@H]1CCCN1Cc1ccc(C[NH3+])cc1F ZINC000037910074 177110122 /nfs/dbraw/zinc/11/01/22/177110122.db2.gz CNWRFKAZELTYJW-JTQLQIEISA-N 1 3 222.307 2.269 10 0 BEAEHO C[C@H]1CCC[C@H](C)[NH+]1C[C@@H]1CCC[C@@H]1N ZINC000058058429 177132433 /nfs/dbraw/zinc/13/24/33/177132433.db2.gz IUZAKXVLAMMAOF-CYDGBPFRSA-N 1 3 210.365 2.377 10 0 BEAEHO C[C@@H]1CCN(C[C@@H]2CCCCO2)CC[C@H](C)[NH2+]1 ZINC000042824643 177161554 /nfs/dbraw/zinc/16/15/54/177161554.db2.gz DGIDCJKZMNHUOJ-MJBXVCDLSA-N 1 3 240.391 2.018 10 0 BEAEHO C[C@@H]([C@@H]1CCCO1)N1CC[C@@H](C)[NH2+][C@@H](C)CC1 ZINC000049666220 177170418 /nfs/dbraw/zinc/17/04/18/177170418.db2.gz RORNMGXJVDYNHS-CRWXNKLISA-N 1 3 240.391 2.016 10 0 BEAEHO C[C@H]1CCN([C@@H](CC(N)=[NH2+])c2ccccc2)C1 ZINC000055023091 177170680 /nfs/dbraw/zinc/17/06/80/177170680.db2.gz XETMMTVEQOMZNJ-AAEUAGOBSA-N 1 3 231.343 2.396 10 0 BEAEHO C[C@H]1CC[C@H](C[NH3+])CN1Cc1cccs1 ZINC000042427266 177201079 /nfs/dbraw/zinc/20/10/79/177201079.db2.gz UULKCNKNLCNSLY-WDEREUQCSA-N 1 3 224.373 2.307 10 0 BEAEHO C[C@H]1C[N@H+](CC[C@H]2CCCCN2C)CCS1 ZINC000336467904 177253761 /nfs/dbraw/zinc/25/37/61/177253761.db2.gz UKGXMDKELSLFON-QWHCGFSZSA-N 1 3 242.432 2.298 10 0 BEAEHO C[C@H]1C[N@@H+](CC[C@H]2CCCCN2C)CCS1 ZINC000336467904 177253762 /nfs/dbraw/zinc/25/37/62/177253762.db2.gz UKGXMDKELSLFON-QWHCGFSZSA-N 1 3 242.432 2.298 10 0 BEAEHO C[C@H]1C[N@H+](CC[C@H](N)c2ccccc2)CCCO1 ZINC000061934320 177254283 /nfs/dbraw/zinc/25/42/83/177254283.db2.gz SLTFGTNZJQBDBX-ZFWWWQNUSA-N 1 3 248.370 2.187 10 0 BEAEHO C[C@H]1C[N@@H+](CC[C@H](N)c2ccccc2)CCCO1 ZINC000061934320 177254284 /nfs/dbraw/zinc/25/42/84/177254284.db2.gz SLTFGTNZJQBDBX-ZFWWWQNUSA-N 1 3 248.370 2.187 10 0 BEAEHO C[C@@H](CCC[NH2+]C1CC1)N1C[C@H](C)O[C@@H](C)C1 ZINC000052380697 177274141 /nfs/dbraw/zinc/27/41/41/177274141.db2.gz HRDHGAZRFYAJFG-AVGNSLFASA-N 1 3 240.391 2.016 10 0 BEAEHO C[C@@H]1C[C@H](C)C[N@@H+](C[C@@H]2CCCC[C@@H]2N)C1 ZINC000058081411 177312948 /nfs/dbraw/zinc/31/29/48/177312948.db2.gz BPBXBTIVPVRTCY-CRWXNKLISA-N 1 3 224.392 2.482 10 0 BEAEHO C[C@@H]1C[C@H](C)C[N@H+](C[C@@H]2CCCC[C@@H]2N)C1 ZINC000058081411 177312951 /nfs/dbraw/zinc/31/29/51/177312951.db2.gz BPBXBTIVPVRTCY-CRWXNKLISA-N 1 3 224.392 2.482 10 0 BEAEHO C[C@@H]1C[C@H](C)CN(CC[C@@H]2CCC[NH2+]2)C1 ZINC000042171880 177313597 /nfs/dbraw/zinc/31/35/97/177313597.db2.gz VGNQZVZHQGPECK-XQQFMLRXSA-N 1 3 210.365 2.106 10 0 BEAEHO C[C@H]1C[C@@H](N(C)CCc2ccncc2)CC[N@@H+]1C ZINC000123547567 177327419 /nfs/dbraw/zinc/32/74/19/177327419.db2.gz NBTYWYMYSVOWHV-ZFWWWQNUSA-N 1 3 247.386 2.039 10 0 BEAEHO C[C@H]1C[C@@H](N(C)CCc2ccncc2)CC[N@H+]1C ZINC000123547567 177327420 /nfs/dbraw/zinc/32/74/20/177327420.db2.gz NBTYWYMYSVOWHV-ZFWWWQNUSA-N 1 3 247.386 2.039 10 0 BEAEHO C[C@H]1C[C@H](N(C)CCc2ccncc2)CC[N@@H+]1C ZINC000123547116 177364105 /nfs/dbraw/zinc/36/41/05/177364105.db2.gz NBTYWYMYSVOWHV-DZGCQCFKSA-N 1 3 247.386 2.039 10 0 BEAEHO C[C@H]1C[C@H](N(C)CCc2ccncc2)CC[N@H+]1C ZINC000123547116 177364107 /nfs/dbraw/zinc/36/41/07/177364107.db2.gz NBTYWYMYSVOWHV-DZGCQCFKSA-N 1 3 247.386 2.039 10 0 BEAEHO Cc1ccccc1CCN[C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400328518 226340905 /nfs/dbraw/zinc/34/09/05/226340905.db2.gz BCNWOPJALMFQLV-DZGCQCFKSA-N 1 3 232.371 2.125 10 0 BEAEHO C[C@H](CC1CCC1)[NH2+][C@@H]1CCC[C@@H]1CN ZINC000666743701 487869019 /nfs/dbraw/zinc/86/90/19/487869019.db2.gz OUARPOHTBFNGAH-RAIGVLPGSA-N 1 3 210.365 2.282 10 0 BEAEHO C[C@H]([NH2+]C[C@@H]1CCCC1(F)F)[C@H]1CCCNC1 ZINC000570507885 323061584 /nfs/dbraw/zinc/06/15/84/323061584.db2.gz MUDUDIBGNFQQIK-SRVKXCTJSA-N 1 3 246.345 2.400 10 0 BEAEHO C[C@H](NC[C@@H]1CCCC1(F)F)[C@H]1CCC[NH2+]C1 ZINC000570507885 323061585 /nfs/dbraw/zinc/06/15/85/323061585.db2.gz MUDUDIBGNFQQIK-SRVKXCTJSA-N 1 3 246.345 2.400 10 0 BEAEHO C[C@H]([NH2+]C[C@@H]1CCCC1(F)F)[C@@H]1CCCNC1 ZINC000570507886 323061694 /nfs/dbraw/zinc/06/16/94/323061694.db2.gz MUDUDIBGNFQQIK-TUAOUCFPSA-N 1 3 246.345 2.400 10 0 BEAEHO C[C@H](NC[C@@H]1CCCC1(F)F)[C@@H]1CCC[NH2+]C1 ZINC000570507886 323061695 /nfs/dbraw/zinc/06/16/95/323061695.db2.gz MUDUDIBGNFQQIK-TUAOUCFPSA-N 1 3 246.345 2.400 10 0 BEAEHO CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000563804509 323178367 /nfs/dbraw/zinc/17/83/67/323178367.db2.gz SKBBQGMGLYCSOD-NDBYEHHHSA-N 1 3 210.365 2.153 10 0 BEAEHO COC[C@@H](C)CN(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000133060597 325264100 /nfs/dbraw/zinc/26/41/00/325264100.db2.gz YWCIIBJJNZHWAI-KBPBESRZSA-N 1 3 242.407 2.075 10 0 BEAEHO COC[C@@H](C)CN(C)CC[C@@H]1CCCC[N@H+]1C ZINC000133060597 325264103 /nfs/dbraw/zinc/26/41/03/325264103.db2.gz YWCIIBJJNZHWAI-KBPBESRZSA-N 1 3 242.407 2.075 10 0 BEAEHO C[C@H]([NH2+]C[C@H]1CC1(C)C)[C@H]1CCCNC1 ZINC000567579839 326222019 /nfs/dbraw/zinc/22/20/19/326222019.db2.gz KLNKPRACJOQONU-SDDRHHMPSA-N 1 3 210.365 2.010 10 0 BEAEHO CC(C)[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000402927311 488108967 /nfs/dbraw/zinc/10/89/67/488108967.db2.gz KCFPGWHMQIQGGU-AGIUHOORSA-N 1 3 210.365 2.092 10 0 BEAEHO CC(C)[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000402927311 488108971 /nfs/dbraw/zinc/10/89/71/488108971.db2.gz KCFPGWHMQIQGGU-AGIUHOORSA-N 1 3 210.365 2.092 10 0 BEAEHO CC(C)(CNC[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000258970421 488144516 /nfs/dbraw/zinc/14/45/16/488144516.db2.gz TXFZLFFAQXWIAY-CYBMUJFWSA-N 1 3 232.371 2.163 10 0 BEAEHO CC[C@H](C)N1CCC[C@@]12CC[C@H](C)[NH2+]C2 ZINC000757130759 582504548 /nfs/dbraw/zinc/50/45/48/582504548.db2.gz NYYNHKFEJDZOOO-AVGNSLFASA-N 1 3 210.365 2.391 10 0 BEAEHO CC[C@H](C)[N@@H+]1CCC[C@@]12CC[C@H](C)NC2 ZINC000757130759 582504549 /nfs/dbraw/zinc/50/45/49/582504549.db2.gz NYYNHKFEJDZOOO-AVGNSLFASA-N 1 3 210.365 2.391 10 0 BEAEHO CC[C@H](C)[N@H+]1CCC[C@@]12CC[C@H](C)NC2 ZINC000757130759 582504551 /nfs/dbraw/zinc/50/45/51/582504551.db2.gz NYYNHKFEJDZOOO-AVGNSLFASA-N 1 3 210.365 2.391 10 0 BEAEHO CCCCN1CC[C@@H]([NH2+]CCC)[C@@H](C)C1 ZINC000219749778 520597605 /nfs/dbraw/zinc/59/76/05/520597605.db2.gz ULJGBSOQGOMUMG-QWHCGFSZSA-N 1 3 212.381 2.497 10 0 BEAEHO CC[C@@H](C)N1CCN(c2ccccc2C[NH3+])CC1 ZINC000020266280 535565712 /nfs/dbraw/zinc/56/57/12/535565712.db2.gz LWRIRYTYTNUYQO-CYBMUJFWSA-N 1 3 247.386 2.066 10 0 BEAEHO C[C@@H]1C[C@@H]1[N@@H+]1CCC[C@@]12CCCN[C@H]2C ZINC000757126505 582500727 /nfs/dbraw/zinc/50/07/27/582500727.db2.gz FYQUXPWBMFWGDT-MROQNXINSA-N 1 3 208.349 2.001 10 0 BEAEHO C[C@@H]1C[C@@H]1[N@H+]1CCC[C@@]12CCCN[C@H]2C ZINC000757126505 582500730 /nfs/dbraw/zinc/50/07/30/582500730.db2.gz FYQUXPWBMFWGDT-MROQNXINSA-N 1 3 208.349 2.001 10 0 BEAEHO C[C@@H]1NCCC[C@@]12CCC[N@@H+]2CC1CC1 ZINC000757126569 582501532 /nfs/dbraw/zinc/50/15/32/582501532.db2.gz GCQOXTAZGKOREY-WCQYABFASA-N 1 3 208.349 2.003 10 0 BEAEHO C[C@@H]1NCCC[C@@]12CCC[N@H+]2CC1CC1 ZINC000757126569 582501534 /nfs/dbraw/zinc/50/15/34/582501534.db2.gz GCQOXTAZGKOREY-WCQYABFASA-N 1 3 208.349 2.003 10 0 BEAEHO C[C@@H]1[NH2+]CCC[C@@]12CCCN2CC1CC1 ZINC000757126569 582501535 /nfs/dbraw/zinc/50/15/35/582501535.db2.gz GCQOXTAZGKOREY-WCQYABFASA-N 1 3 208.349 2.003 10 0 BEAEHO C[C@@H](C1CC1)[N@@H+]1CCC[C@@]12CCCNC2 ZINC000757128041 582503598 /nfs/dbraw/zinc/50/35/98/582503598.db2.gz IOIBDOYHUDMPHC-WCQYABFASA-N 1 3 208.349 2.003 10 0 BEAEHO C[C@@H](C1CC1)[N@H+]1CCC[C@@]12CCCNC2 ZINC000757128041 582503599 /nfs/dbraw/zinc/50/35/99/582503599.db2.gz IOIBDOYHUDMPHC-WCQYABFASA-N 1 3 208.349 2.003 10 0 BEAEHO C[C@@H](C1CC1)N1CCC[C@@]12CCC[NH2+]C2 ZINC000757128041 582503600 /nfs/dbraw/zinc/50/36/00/582503600.db2.gz IOIBDOYHUDMPHC-WCQYABFASA-N 1 3 208.349 2.003 10 0 BEAEHO CC[C@H](C)[N@@H+]1CCC[C@@]12CCCN[C@@H]2C ZINC000757133861 582510261 /nfs/dbraw/zinc/51/02/61/582510261.db2.gz VJGNNYWCYIUNKB-YNEHKIRRSA-N 1 3 210.365 2.391 10 0 BEAEHO CC[C@H](C)[N@H+]1CCC[C@@]12CCCN[C@@H]2C ZINC000757133861 582510262 /nfs/dbraw/zinc/51/02/62/582510262.db2.gz VJGNNYWCYIUNKB-YNEHKIRRSA-N 1 3 210.365 2.391 10 0 BEAEHO CC[C@H](C)N1CCC[C@@]12CCC[NH2+][C@@H]2C ZINC000757133861 582510263 /nfs/dbraw/zinc/51/02/63/582510263.db2.gz VJGNNYWCYIUNKB-YNEHKIRRSA-N 1 3 210.365 2.391 10 0 BEAEHO CCN1CCC2(CC1)[NH2+]CCC(CC)(CC)O2 ZINC000757148568 582533252 /nfs/dbraw/zinc/53/32/52/582533252.db2.gz VAPMSIUWUKONKL-UHFFFAOYSA-N 1 3 240.391 2.367 10 0 BEAEHO CC1(c2ccc([C@@H]3CNC[C@H](C[NH3+])C3)cc2)CC1 ZINC000757218587 582561398 /nfs/dbraw/zinc/56/13/98/582561398.db2.gz VASWUXZNPHQZIH-JSGCOSHPSA-N 1 3 244.382 2.390 10 0 BEAEHO CC1(c2ccc([C@@H]3C[NH2+]C[C@H](CN)C3)cc2)CC1 ZINC000757218587 582561401 /nfs/dbraw/zinc/56/14/01/582561401.db2.gz VASWUXZNPHQZIH-JSGCOSHPSA-N 1 3 244.382 2.390 10 0 BEAEHO C[C@@H](C1CCC1)[N@@H+]1CCC[C@@]12CCCNC2 ZINC000757126655 586426216 /nfs/dbraw/zinc/42/62/16/586426216.db2.gz GGLPYBCRSVCGPH-GXTWGEPZSA-N 1 3 222.376 2.393 10 0 BEAEHO C[C@@H](C1CCC1)[N@H+]1CCC[C@@]12CCCNC2 ZINC000757126655 586426217 /nfs/dbraw/zinc/42/62/17/586426217.db2.gz GGLPYBCRSVCGPH-GXTWGEPZSA-N 1 3 222.376 2.393 10 0 BEAEHO C[C@@H](C1CCC1)N1CCC[C@@]12CCC[NH2+]C2 ZINC000757126655 586426218 /nfs/dbraw/zinc/42/62/18/586426218.db2.gz GGLPYBCRSVCGPH-GXTWGEPZSA-N 1 3 222.376 2.393 10 0 BEAEHO CC1(c2ccc([C@@H]3CNCC[C@@H]3[NH3+])cc2)CC1 ZINC000757211802 586438862 /nfs/dbraw/zinc/43/88/62/586438862.db2.gz IUGJZYGCLDZVDV-KBPBESRZSA-N 1 3 230.355 2.142 10 0 BEAEHO CC1(c2ccc([C@@H]3C[NH2+]CC[C@@H]3N)cc2)CC1 ZINC000757211802 586438863 /nfs/dbraw/zinc/43/88/63/586438863.db2.gz IUGJZYGCLDZVDV-KBPBESRZSA-N 1 3 230.355 2.142 10 0 BEAEHO C[C@@H]1CC[C@@H](C[NH3+])[C@@H](c2ccccc2)N1 ZINC000757217393 586441516 /nfs/dbraw/zinc/44/15/16/586441516.db2.gz RTWUVJCFIAWECV-KGYLQXTDSA-N 1 3 204.317 2.075 10 0 BEAEHO C[C@@H](C[NH2+][C@@H]1CCCSC1)CN1CCCC1 ZINC000062079010 631647390 /nfs/dbraw/zinc/64/73/90/631647390.db2.gz JRWFQDPMHWKQJJ-QWHCGFSZSA-N 1 3 242.432 2.204 10 0 BEAEHO CC(C)CN1CCC2(CC1)[NH2+]CCC(C)(C)O2 ZINC000757143528 643307636 /nfs/dbraw/zinc/30/76/36/643307636.db2.gz DKBZDQAKTPIAKN-UHFFFAOYSA-N 1 3 240.391 2.223 10 0 BEAEHO C[C@H]([NH3+])CN(C)c1ccnc2ccccc21 ZINC000082592559 643350631 /nfs/dbraw/zinc/35/06/31/643350631.db2.gz JDJBKWCFURURBE-JTQLQIEISA-N 1 3 215.300 2.018 10 0 BEAEHO C[C@@H]1CN([C@@H]2C[C@H]2c2ccccc2)CC[C@@H]1[NH3+] ZINC000251925997 644830609 /nfs/dbraw/zinc/83/06/09/644830609.db2.gz YIRKCKKSGODIAD-UQOMUDLDSA-N 1 3 230.355 2.212 10 0 BEAEHO C([NH2+]C1CCNCC1)C1C[C@H]2CC[C@@H](C1)S2 ZINC000716052031 712548647 /nfs/dbraw/zinc/54/86/47/712548647.db2.gz PUXREJUGSYJEDY-VGPLMAKISA-N 1 3 240.416 2.002 10 0 BEAEHO C(CNC1CC1)C[NH+]1CCCCCCC1 ZINC000037478540 711467107 /nfs/dbraw/zinc/46/71/07/711467107.db2.gz WCMOUSVKZZHLGL-UHFFFAOYSA-N 1 3 210.365 2.395 10 0 BEAEHO CC(C)[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCCNC2 ZINC000709867366 712230199 /nfs/dbraw/zinc/23/01/99/712230199.db2.gz JCTKZZCBSQGKTR-OLZOCXBDSA-N 1 3 210.365 2.106 10 0 BEAEHO CC(C)[C@@H](C)[N@H+]1CC[C@@]2(C1)CCCNC2 ZINC000709867366 712230200 /nfs/dbraw/zinc/23/02/00/712230200.db2.gz JCTKZZCBSQGKTR-OLZOCXBDSA-N 1 3 210.365 2.106 10 0 BEAEHO C[C@@H]([NH2+]CC1CC(F)(F)C1)[C@H]1CCCNC1 ZINC000572868625 398203631 /nfs/dbraw/zinc/20/36/31/398203631.db2.gz UTZLIVYNSMQAFR-KOLCDFICSA-N 1 3 232.318 2.009 10 0 BEAEHO C[C@@H]1C[C@H](CN)C[N@@H+]1C[C@@H]1CCCCC1(F)F ZINC000381590220 398254295 /nfs/dbraw/zinc/25/42/95/398254295.db2.gz DIRSECRDHRRGFI-UTUOFQBUSA-N 1 3 246.345 2.481 10 0 BEAEHO C[C@@H]1C[C@H](CN)C[N@H+]1C[C@@H]1CCCCC1(F)F ZINC000381590220 398254297 /nfs/dbraw/zinc/25/42/97/398254297.db2.gz DIRSECRDHRRGFI-UTUOFQBUSA-N 1 3 246.345 2.481 10 0 BEAEHO CCC(CC)N(CCOC)CC1([NH3+])CCCC1 ZINC000042681726 168373573 /nfs/dbraw/zinc/37/35/73/168373573.db2.gz JACCCZVSPHPWGL-UHFFFAOYSA-N 1 3 242.407 2.395 10 0 BEAEHO C[C@@H]1CN(C[C@H]2CCCCC2(F)F)CC[C@@H]1[NH3+] ZINC000381623640 398267351 /nfs/dbraw/zinc/26/73/51/398267351.db2.gz SUDJKLNVDHTOSJ-UTUOFQBUSA-N 1 3 246.345 2.481 10 0 BEAEHO CCC[C@H](C)C[N@@H+]1C[C@@H]2CCCN[C@@H]2C1 ZINC000132506994 398305634 /nfs/dbraw/zinc/30/56/34/398305634.db2.gz XXZBUSFFINEQTL-RWMBFGLXSA-N 1 3 210.365 2.106 10 0 BEAEHO CCC[C@H](C)C[N@H+]1C[C@@H]2CCCN[C@@H]2C1 ZINC000132506994 398305635 /nfs/dbraw/zinc/30/56/35/398305635.db2.gz XXZBUSFFINEQTL-RWMBFGLXSA-N 1 3 210.365 2.106 10 0 BEAEHO CC(C)CN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000038000167 398335724 /nfs/dbraw/zinc/33/57/24/398335724.db2.gz XHWZSUKNMZALAZ-OLZOCXBDSA-N 1 3 210.365 2.106 10 0 BEAEHO CC[C@H](NCCC[NH3+])c1ccc(C)cc1 ZINC000037713320 342943341 /nfs/dbraw/zinc/94/33/41/342943341.db2.gz UNMYMZQYWGHHJH-ZDUSSCGKSA-N 1 3 206.333 2.385 10 0 BEAEHO CC[NH+](CC)Cc1ccc2c(c1)CNCC2 ZINC000128521939 343174854 /nfs/dbraw/zinc/17/48/54/343174854.db2.gz MUAWCRAYHIWZPX-UHFFFAOYSA-N 1 3 218.344 2.174 10 0 BEAEHO CCC[N@H+](C)Cc1ccc2c(c1)CNCC2 ZINC000128522917 343174909 /nfs/dbraw/zinc/17/49/09/343174909.db2.gz CTLRIKDXJJDADG-UHFFFAOYSA-N 1 3 218.344 2.174 10 0 BEAEHO CCC[N@@H+](C)Cc1ccc2c(c1)CNCC2 ZINC000128522917 343174911 /nfs/dbraw/zinc/17/49/11/343174911.db2.gz CTLRIKDXJJDADG-UHFFFAOYSA-N 1 3 218.344 2.174 10 0 BEAEHO C[C@@H]1CCC[C@H](C)[N@H+]1CCCNC1CC1 ZINC000037478527 537819926 /nfs/dbraw/zinc/81/99/26/537819926.db2.gz XBYIFMKFUHTDTK-TXEJJXNPSA-N 1 3 210.365 2.391 10 0 BEAEHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCCNC1CC1 ZINC000037478527 537819932 /nfs/dbraw/zinc/81/99/32/537819932.db2.gz XBYIFMKFUHTDTK-TXEJJXNPSA-N 1 3 210.365 2.391 10 0 BEAEHO C[C@@H]1CCC[C@H](C)N1CCC[NH2+]C1CC1 ZINC000037478527 537819942 /nfs/dbraw/zinc/81/99/42/537819942.db2.gz XBYIFMKFUHTDTK-TXEJJXNPSA-N 1 3 210.365 2.391 10 0 BEAEHO C1C[C@@H]2C[C@H](N[C@@H]3CCCSC3)CC[N@@H+]2C1 ZINC000128095368 192076163 /nfs/dbraw/zinc/07/61/63/192076163.db2.gz AXCTWBUTLBZZFT-JHJVBQTASA-N 1 3 240.416 2.098 10 0 BEAEHO C1C[C@@H]2C[C@H](N[C@@H]3CCCSC3)CC[N@H+]2C1 ZINC000128095368 192076165 /nfs/dbraw/zinc/07/61/65/192076165.db2.gz AXCTWBUTLBZZFT-JHJVBQTASA-N 1 3 240.416 2.098 10 0 BEAEHO Cc1ccc(CN2C[C@@H](C)[C@@H](C[NH3+])C2)s1 ZINC000634998708 345198223 /nfs/dbraw/zinc/19/82/23/345198223.db2.gz JNKPVLKOTDWMFG-KOLCDFICSA-N 1 3 224.373 2.083 10 0 BEAEHO CC1(C)CCC[C@H]1C[NH2+]C1CCNCC1 ZINC000335631534 345431183 /nfs/dbraw/zinc/43/11/83/345431183.db2.gz BEOIJCXEAIMFEX-NSHDSACASA-N 1 3 210.365 2.154 10 0 BEAEHO CC(F)(F)CCC[NH2+][C@H]1CCCNCC1 ZINC000390243782 259383403 /nfs/dbraw/zinc/38/34/03/259383403.db2.gz PMRPGIJVVYIYBK-JTQLQIEISA-N 1 3 220.307 2.154 10 0 BEAEHO CCN1CC[C@H](C[NH3+])[C@H]1c1cccs1 ZINC000250346043 362799604 /nfs/dbraw/zinc/79/96/04/362799604.db2.gz QLFKYTPQXNLPEE-KOLCDFICSA-N 1 3 210.346 2.090 10 0 BEAEHO CCN(C)Cc1cc(Cl)cc(C[NH3+])c1 ZINC000669380339 537988361 /nfs/dbraw/zinc/98/83/61/537988361.db2.gz XLTAVPOGHKIQBF-UHFFFAOYSA-N 1 3 212.724 2.250 10 0 BEAEHO Cc1ccccc1C[N@@H+]1CCN[C@H](C)CC1 ZINC000049662207 179272997 /nfs/dbraw/zinc/27/29/97/179272997.db2.gz GYUAJUNIKWOQQX-CYBMUJFWSA-N 1 3 218.344 2.179 10 0 BEAEHO Cc1ccccc1C[N@H+]1CCN[C@H](C)CC1 ZINC000049662207 179272998 /nfs/dbraw/zinc/27/29/98/179272998.db2.gz GYUAJUNIKWOQQX-CYBMUJFWSA-N 1 3 218.344 2.179 10 0 BEAEHO CCSC1(C[NH2+][C@H](C)[C@@H]2CCCNC2)CC1 ZINC000596653575 348606857 /nfs/dbraw/zinc/60/68/57/348606857.db2.gz VOSXRSJQASIYTD-VXGBXAGGSA-N 1 3 242.432 2.250 10 0 BEAEHO CC[C@@H]1[C@H]2C[NH2+]C[C@H]2CN1Cc1ccccc1 ZINC000251784282 350903129 /nfs/dbraw/zinc/90/31/29/350903129.db2.gz WZRSRFWWZLMNQM-SOUVJXGZSA-N 1 3 230.355 2.116 10 0 BEAEHO CCN(Cc1ccccc1)C[C@@H](C)C[NH2+]C ZINC000052443723 351001111 /nfs/dbraw/zinc/00/11/11/351001111.db2.gz LKFAZFPQXLOODJ-ZDUSSCGKSA-N 1 3 220.360 2.364 10 0 BEAEHO CC(C)N1CCc2ccccc2[C@@H]1CC[NH3+] ZINC000616678320 351246299 /nfs/dbraw/zinc/24/62/99/351246299.db2.gz GIOYSSNYRSUWTG-AWEZNQCLSA-N 1 3 218.344 2.343 10 0 BEAEHO COCCN(CC[C@H]1CCCC[NH2+]1)CC(C)C ZINC000042369465 188293983 /nfs/dbraw/zinc/29/39/83/188293983.db2.gz AKADMORIGVZIPR-CQSZACIVSA-N 1 3 242.407 2.123 10 0 BEAEHO CSCCCCC[NH2+][C@@H]1CCCNCC1 ZINC000235170648 363438950 /nfs/dbraw/zinc/43/89/50/363438950.db2.gz FVEWPZYPGZETRP-GFCCVEGCSA-N 1 3 230.421 2.251 10 0 BEAEHO C[C@H](NCC[C@H]1CCCC[N@@H+]1C)[C@@H]1CCCO1 ZINC000216363758 355977071 /nfs/dbraw/zinc/97/70/71/355977071.db2.gz YDIKTWLMHKGHRG-MJBXVCDLSA-N 1 3 240.391 2.018 10 0 BEAEHO C[C@H](NCC[C@H]1CCCC[N@H+]1C)[C@@H]1CCCO1 ZINC000216363758 355977073 /nfs/dbraw/zinc/97/70/73/355977073.db2.gz YDIKTWLMHKGHRG-MJBXVCDLSA-N 1 3 240.391 2.018 10 0 BEAEHO CC(C)NC[C@H]1C[NH2+]C[C@@H]1C1CCCCC1 ZINC000675050921 538473363 /nfs/dbraw/zinc/47/33/63/538473363.db2.gz ALZNMCSUTJWXQE-ZIAGYGMSSA-N 1 3 224.392 2.400 10 0 BEAEHO CCN1CC[C@@H]([NH3+])C[C@H]1c1cccc(C)c1 ZINC000675055566 538475655 /nfs/dbraw/zinc/47/56/55/538475655.db2.gz VEKJNMBFSFMXOD-KGLIPLIRSA-N 1 3 218.344 2.479 10 0 BEAEHO CCSCC[C@H](C)[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000583687501 357120234 /nfs/dbraw/zinc/12/02/34/357120234.db2.gz ICQYNDGHBDGNOV-YNEHKIRRSA-N 1 3 244.448 2.496 10 0 BEAEHO CCC[NH+](CCC)[C@H]1[C@H](C)CNC[C@@H]1C ZINC000685951744 538895237 /nfs/dbraw/zinc/89/52/37/538895237.db2.gz XDLYRNYKXPXRDD-ITGUQSILSA-N 1 3 212.381 2.352 10 0 BEAEHO CC[C@@H]1CCCC[N@@H+]1C1[C@@H](C)CNC[C@@H]1C ZINC000685951684 538895475 /nfs/dbraw/zinc/89/54/75/538895475.db2.gz VNKPZUHMUAAWMQ-RWMBFGLXSA-N 1 3 224.392 2.495 10 0 BEAEHO CC[C@@H]1CCCC[N@H+]1C1[C@@H](C)CNC[C@@H]1C ZINC000685951684 538895476 /nfs/dbraw/zinc/89/54/76/538895476.db2.gz VNKPZUHMUAAWMQ-RWMBFGLXSA-N 1 3 224.392 2.495 10 0 BEAEHO CC(C)=CCC[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000584774313 358174679 /nfs/dbraw/zinc/17/46/79/358174679.db2.gz MXABFGWQYFWBQW-QWHCGFSZSA-N 1 3 210.365 2.320 10 0 BEAEHO C[C@H]([NH2+][C@@H]1CC12CCCC2)[C@H]1CCCNC1 ZINC000584774180 358175112 /nfs/dbraw/zinc/17/51/12/358175112.db2.gz BOCWYSCPWRQOHD-RWMBFGLXSA-N 1 3 222.376 2.297 10 0 BEAEHO C[C@H](N[C@@H]1CC12CCCC2)[C@H]1CCC[NH2+]C1 ZINC000584774180 358175114 /nfs/dbraw/zinc/17/51/14/358175114.db2.gz BOCWYSCPWRQOHD-RWMBFGLXSA-N 1 3 222.376 2.297 10 0 BEAEHO N[C@H]1CC[N@@H+]2C[C@@H](c3ccc(F)cc3)C[C@H]2C1 ZINC000584640337 358326084 /nfs/dbraw/zinc/32/60/84/358326084.db2.gz PEVYYZGNGQVRLN-UBHSHLNASA-N 1 3 234.318 2.105 10 0 BEAEHO N[C@H]1CC[N@H+]2C[C@@H](c3ccc(F)cc3)C[C@H]2C1 ZINC000584640337 358326088 /nfs/dbraw/zinc/32/60/88/358326088.db2.gz PEVYYZGNGQVRLN-UBHSHLNASA-N 1 3 234.318 2.105 10 0 BEAEHO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]CC1CNC1 ZINC000423308060 192696044 /nfs/dbraw/zinc/69/60/44/192696044.db2.gz XGKTYCKNCIMQRM-OLZOCXBDSA-N 1 3 224.392 2.400 10 0 BEAEHO CC(C)(C)CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000093604585 360262681 /nfs/dbraw/zinc/26/26/81/360262681.db2.gz DONPZKFWCABRAB-ZDUSSCGKSA-N 1 3 224.392 2.450 10 0 BEAEHO CC(C)(C)C[N@@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000093604585 360262685 /nfs/dbraw/zinc/26/26/85/360262685.db2.gz DONPZKFWCABRAB-ZDUSSCGKSA-N 1 3 224.392 2.450 10 0 BEAEHO CC(C)(C)C[N@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000093604585 360262689 /nfs/dbraw/zinc/26/26/89/360262689.db2.gz DONPZKFWCABRAB-ZDUSSCGKSA-N 1 3 224.392 2.450 10 0 BEAEHO C[C@H]([NH2+]CC[C@H]1CC1(F)F)[C@@H]1CCCNC1 ZINC000622044088 370676047 /nfs/dbraw/zinc/67/60/47/370676047.db2.gz UMYWQASWHVYMRA-AXFHLTTASA-N 1 3 232.318 2.009 10 0 BEAEHO CC(C)OCCCC[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000575172840 365226930 /nfs/dbraw/zinc/22/69/30/365226930.db2.gz LPQZRSNQVUXYGO-KGLIPLIRSA-N 1 3 242.407 2.169 10 0 BEAEHO CC(C)OCCCC[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000575172839 365227512 /nfs/dbraw/zinc/22/75/12/365227512.db2.gz LPQZRSNQVUXYGO-KBPBESRZSA-N 1 3 242.407 2.169 10 0 BEAEHO C[C@H]1C[C@H]([NH3+])CN1c1ccnc2ccccc21 ZINC000385175030 367804928 /nfs/dbraw/zinc/80/49/28/367804928.db2.gz GVSNNOBNBMVJQS-QWRGUYRKSA-N 1 3 227.311 2.161 10 0 BEAEHO [NH3+][C@H]1CCOc2c(CN3CCCCC3)cccc21 ZINC000168847641 368352338 /nfs/dbraw/zinc/35/23/38/368352338.db2.gz AZXFGXXDRMGEFB-AWEZNQCLSA-N 1 3 246.354 2.455 10 0 BEAEHO CCc1ccccc1C[N@@H+]1C[C@H](C)[C@@H](CN)C1 ZINC000631839062 369124678 /nfs/dbraw/zinc/12/46/78/369124678.db2.gz ZJCXDUNNDPNVOU-WFASDCNBSA-N 1 3 232.371 2.276 10 0 BEAEHO CCc1ccccc1C[N@H+]1C[C@H](C)[C@@H](CN)C1 ZINC000631839062 369124683 /nfs/dbraw/zinc/12/46/83/369124683.db2.gz ZJCXDUNNDPNVOU-WFASDCNBSA-N 1 3 232.371 2.276 10 0 BEAEHO CCc1ccccc1CN1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631839062 369124686 /nfs/dbraw/zinc/12/46/86/369124686.db2.gz ZJCXDUNNDPNVOU-WFASDCNBSA-N 1 3 232.371 2.276 10 0 BEAEHO C[C@@H]1C[N@H+](CCCC(C)(C)C)C[C@@H]1CN ZINC000631837828 372630175 /nfs/dbraw/zinc/63/01/75/372630175.db2.gz FYGCXUVPJRURON-NEPJUHHUSA-N 1 3 212.381 2.339 10 0 BEAEHO C[C@@H]1C[N@@H+](CCCC(C)(C)C)C[C@@H]1CN ZINC000631837828 372630178 /nfs/dbraw/zinc/63/01/78/372630178.db2.gz FYGCXUVPJRURON-NEPJUHHUSA-N 1 3 212.381 2.339 10 0 BEAEHO COc1cccc([C@H](C)N2C[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000631840135 372635894 /nfs/dbraw/zinc/63/58/94/372635894.db2.gz PWIAYWFXDQKFHQ-OBJOEFQTSA-N 1 3 248.370 2.283 10 0 BEAEHO C[C@@H](c1ccccc1)[N@@H+]1C[C@@H](C)[C@@H](CN)C1 ZINC000631843058 372640661 /nfs/dbraw/zinc/64/06/61/372640661.db2.gz IYTBBTLFGLFRGA-DYEKYZERSA-N 1 3 218.344 2.274 10 0 BEAEHO C[C@@H](c1ccccc1)[N@H+]1C[C@@H](C)[C@@H](CN)C1 ZINC000631843058 372640668 /nfs/dbraw/zinc/64/06/68/372640668.db2.gz IYTBBTLFGLFRGA-DYEKYZERSA-N 1 3 218.344 2.274 10 0 BEAEHO Cc1ccccc1C[N@H+]1C[C@@H](C)[C@@H](CN)C1 ZINC000631842690 372641408 /nfs/dbraw/zinc/64/14/08/372641408.db2.gz DNOHWCIEPPAUDF-OCCSQVGLSA-N 1 3 218.344 2.022 10 0 BEAEHO Cc1ccccc1C[N@@H+]1C[C@@H](C)[C@@H](CN)C1 ZINC000631842690 372641412 /nfs/dbraw/zinc/64/14/12/372641412.db2.gz DNOHWCIEPPAUDF-OCCSQVGLSA-N 1 3 218.344 2.022 10 0 BEAEHO COc1ccc(C)cc1CN1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631844385 372643563 /nfs/dbraw/zinc/64/35/63/372643563.db2.gz WZUUEYUNOOBRKB-OCCSQVGLSA-N 1 3 248.370 2.030 10 0 BEAEHO CCN1CC[C@@H](C[NH3+])[C@@H]1c1ccsc1 ZINC000069797152 373807756 /nfs/dbraw/zinc/80/77/56/373807756.db2.gz NELRLMCURWMTCL-GXSJLCMTSA-N 1 3 210.346 2.090 10 0 BEAEHO CCCN(CC[NH3+])c1ccnc2ccccc21 ZINC000104308436 169157234 /nfs/dbraw/zinc/15/72/34/169157234.db2.gz KXHXLVBDCDQCRK-UHFFFAOYSA-N 1 3 229.327 2.410 10 0 BEAEHO CCC[NH2+]C[C@](C)(CC)CN(CCO)C(C)C ZINC000051284715 169264411 /nfs/dbraw/zinc/26/44/11/169264411.db2.gz BUSNOVMDCMSXEV-AWEZNQCLSA-N 1 3 244.423 2.105 10 0 BEAEHO c1ccc(CCC[NH2+][C@H]2CCCNCC2)cc1 ZINC000128883357 183391627 /nfs/dbraw/zinc/39/16/27/183391627.db2.gz FGVJVWVNZNIZKP-HNNXBMFYSA-N 1 3 232.371 2.351 10 0 BEAEHO c1ccc(CCCN[C@H]2CCC[NH2+]CC2)cc1 ZINC000128883357 183391628 /nfs/dbraw/zinc/39/16/28/183391628.db2.gz FGVJVWVNZNIZKP-HNNXBMFYSA-N 1 3 232.371 2.351 10 0 BEAEHO CCCN[C@@H](C)c1csc(CC[NH+](C)C)n1 ZINC000076810804 169277340 /nfs/dbraw/zinc/27/73/40/169277340.db2.gz KMGNVPBOMGGGGK-JTQLQIEISA-N 1 3 241.404 2.308 10 0 BEAEHO CCC[NH2+][C@H]1CCN(C(C)(C)C)C[C@@H]1C ZINC000049694127 169291591 /nfs/dbraw/zinc/29/15/91/169291591.db2.gz KRHZOUMILCWZEV-RYUDHWBXSA-N 1 3 212.381 2.495 10 0 BEAEHO C[C@@H]1CC[C@@H](N)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000068593075 384003123 /nfs/dbraw/zinc/00/31/23/384003123.db2.gz ULXWOSFIBHNQLH-MBNYWOFBSA-N 1 3 218.344 2.387 10 0 BEAEHO C[C@@H]1CC[C@@H](N)[C@H](C)[N@H+]1Cc1ccccc1 ZINC000068593075 384003130 /nfs/dbraw/zinc/00/31/30/384003130.db2.gz ULXWOSFIBHNQLH-MBNYWOFBSA-N 1 3 218.344 2.387 10 0 BEAEHO NC[C@@H](Cc1ccc(F)cc1)[C@H]1CCCC[NH2+]1 ZINC000068591162 384001847 /nfs/dbraw/zinc/00/18/47/384001847.db2.gz OCTFQZCEZPAXSY-TZMCWYRMSA-N 1 3 236.334 2.085 10 0 BEAEHO [NH3+]C[C@@H](Cc1ccc(F)cc1)[C@H]1CCCCN1 ZINC000068591162 384001851 /nfs/dbraw/zinc/00/18/51/384001851.db2.gz OCTFQZCEZPAXSY-TZMCWYRMSA-N 1 3 236.334 2.085 10 0 BEAEHO C[N@H+](C[C@@H]1CCC(F)(F)C1)[C@H]1CCCNCC1 ZINC000302315795 384140914 /nfs/dbraw/zinc/14/09/14/384140914.db2.gz BSXGTXXWHUMIPC-NEPJUHHUSA-N 1 3 246.345 2.496 10 0 BEAEHO C[N@@H+](C[C@@H]1CCC(F)(F)C1)[C@H]1CCCNCC1 ZINC000302315795 384140917 /nfs/dbraw/zinc/14/09/17/384140917.db2.gz BSXGTXXWHUMIPC-NEPJUHHUSA-N 1 3 246.345 2.496 10 0 BEAEHO [NH3+]C[C@H]1CC[C@H](Nc2ccnc3ccccc32)C1 ZINC000335581074 384342778 /nfs/dbraw/zinc/34/27/78/384342778.db2.gz MQDWTFHPOPOASL-RYUDHWBXSA-N 1 3 241.338 2.196 10 0 BEAEHO [NH3+]C[C@@H]1CC[C@H](Nc2ccnc3ccccc32)C1 ZINC000335581072 384343663 /nfs/dbraw/zinc/34/36/63/384343663.db2.gz MQDWTFHPOPOASL-NEPJUHHUSA-N 1 3 241.338 2.196 10 0 BEAEHO CC[C@@H](NCCC[NH3+])c1ccc(F)cc1 ZINC000037713250 384511123 /nfs/dbraw/zinc/51/11/23/384511123.db2.gz FLGBGQAROOBLDV-GFCCVEGCSA-N 1 3 210.296 2.215 10 0 BEAEHO CC[C@@H](NCCC[NH3+])c1ccc(C)cc1 ZINC000037713321 384513593 /nfs/dbraw/zinc/51/35/93/384513593.db2.gz UNMYMZQYWGHHJH-CYBMUJFWSA-N 1 3 206.333 2.385 10 0 BEAEHO C1[C@@H](N[C@@H]2CCC[NH2+]CC2)C12CCCC2 ZINC000334591094 384519539 /nfs/dbraw/zinc/51/95/39/384519539.db2.gz KEEGRIMIBOKAII-VXGBXAGGSA-N 1 3 208.349 2.051 10 0 BEAEHO C1[C@@H]([NH2+][C@@H]2CCCNCC2)C12CCCC2 ZINC000334591094 384519541 /nfs/dbraw/zinc/51/95/41/384519541.db2.gz KEEGRIMIBOKAII-VXGBXAGGSA-N 1 3 208.349 2.051 10 0 BEAEHO C[N@H+](C[C@@H]1CCCNC1)C1CC(C)(C)C1 ZINC000335664889 384835873 /nfs/dbraw/zinc/83/58/73/384835873.db2.gz XMDDTJCIVAROGX-LLVKDONJSA-N 1 3 210.365 2.106 10 0 BEAEHO C[N@@H+](C[C@@H]1CCCNC1)C1CC(C)(C)C1 ZINC000335664889 384835878 /nfs/dbraw/zinc/83/58/78/384835878.db2.gz XMDDTJCIVAROGX-LLVKDONJSA-N 1 3 210.365 2.106 10 0 BEAEHO CN(C[C@@H]1CCC[NH2+]C1)C1CC(C)(C)C1 ZINC000335664889 384835881 /nfs/dbraw/zinc/83/58/81/384835881.db2.gz XMDDTJCIVAROGX-LLVKDONJSA-N 1 3 210.365 2.106 10 0 BEAEHO CC[C@@H](CNC[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000398293959 384893118 /nfs/dbraw/zinc/89/31/18/384893118.db2.gz NDDFXINAVDENOT-KGLIPLIRSA-N 1 3 232.371 2.379 10 0 BEAEHO C[C@H](C[NH2+][C@H]1CCC[C@@H]1CCF)CN(C)C ZINC000336733738 385644454 /nfs/dbraw/zinc/64/44/54/385644454.db2.gz GQXPWPNLKYKCOL-UPJWGTAASA-N 1 3 230.371 2.302 10 0 BEAEHO FC1(F)CCC[C@@H](N[C@@H]2CCC[NH2+]CC2)C1 ZINC000335035646 385926066 /nfs/dbraw/zinc/92/60/66/385926066.db2.gz WYFMBSJGGAINBI-GHMZBOCLSA-N 1 3 232.318 2.296 10 0 BEAEHO FC1(F)CCC[C@@H]([NH2+][C@@H]2CCCNCC2)C1 ZINC000335035646 385926070 /nfs/dbraw/zinc/92/60/70/385926070.db2.gz WYFMBSJGGAINBI-GHMZBOCLSA-N 1 3 232.318 2.296 10 0 BEAEHO C[C@@H]1[N@H+](Cc2ccccc2)CC[C@]1(N)C1CC1 ZINC000575568792 386111046 /nfs/dbraw/zinc/11/10/46/386111046.db2.gz OGUWHMQSYNAZPZ-SWLSCSKDSA-N 1 3 230.355 2.388 10 0 BEAEHO C[C@@H]1[N@@H+](Cc2ccccc2)CC[C@]1(N)C1CC1 ZINC000575568792 386111056 /nfs/dbraw/zinc/11/10/56/386111056.db2.gz OGUWHMQSYNAZPZ-SWLSCSKDSA-N 1 3 230.355 2.388 10 0 BEAEHO C[C@@H]([NH2+]CCc1ccccc1)[C@@H]1CCCNC1 ZINC000514660626 387049767 /nfs/dbraw/zinc/04/97/67/387049767.db2.gz YVYFAYPVOYARHI-UKRRQHHQSA-N 1 3 232.371 2.207 10 0 BEAEHO C[C@@H](NCCc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000514660626 387049771 /nfs/dbraw/zinc/04/97/71/387049771.db2.gz YVYFAYPVOYARHI-UKRRQHHQSA-N 1 3 232.371 2.207 10 0 BEAEHO Cc1ccc(F)c([C@@H](N)CCC[NH3+])c1F ZINC000575439579 387124428 /nfs/dbraw/zinc/12/44/28/387124428.db2.gz SJJRFNIOUNPICB-VIFPVBQESA-N 1 3 214.259 2.012 10 0 BEAEHO N[C@@H](CCC[NH3+])c1c(F)cccc1Cl ZINC000575440057 387127559 /nfs/dbraw/zinc/12/75/59/387127559.db2.gz ICDYSELXSILINB-VIFPVBQESA-N 1 3 216.687 2.218 10 0 BEAEHO C[C@@H]1[NH2+]CCC[C@@H]1N[C@H]1CCC12CCCC2 ZINC000423371589 387226371 /nfs/dbraw/zinc/22/63/71/387226371.db2.gz HPRSOVNVWSVBKG-AVGNSLFASA-N 1 3 222.376 2.439 10 0 BEAEHO CCC1(C[NH2+][C@H](C)[C@@H]2CCCNC2)CC1 ZINC000572111827 387236969 /nfs/dbraw/zinc/23/69/69/387236969.db2.gz XGCCJOKHMJYTTB-VXGBXAGGSA-N 1 3 210.365 2.154 10 0 BEAEHO C[C@H]([NH2+]CCC1(C)CC1)[C@H]1CCCNC1 ZINC000643486551 387343805 /nfs/dbraw/zinc/34/38/05/387343805.db2.gz ZWLSGZKSJXQWEX-RYUDHWBXSA-N 1 3 210.365 2.154 10 0 BEAEHO C[C@H]([NH2+]CCC1(C)CC1)[C@@H]1CCCNC1 ZINC000643486550 387343816 /nfs/dbraw/zinc/34/38/16/387343816.db2.gz ZWLSGZKSJXQWEX-NWDGAFQWSA-N 1 3 210.365 2.154 10 0 BEAEHO C[C@@H](C[NH2+][C@@H]1CCCNCC1)CC(F)(F)F ZINC000396897893 387510322 /nfs/dbraw/zinc/51/03/22/387510322.db2.gz AISHFZSFLKIGMW-NXEZZACHSA-N 1 3 238.297 2.307 10 0 BEAEHO C[C@@H]1CN(Cc2ccccc2)[C@H](C)[C@H](C)[C@H]1[NH3+] ZINC000238850682 387936339 /nfs/dbraw/zinc/93/63/39/387936339.db2.gz CNGGMQNYSIBNDV-COMQUAJESA-N 1 3 232.371 2.490 10 0 BEAEHO CC[C@@H]([NH3+])CNc1ccnc2ccccc21 ZINC000082579317 388037607 /nfs/dbraw/zinc/03/76/07/388037607.db2.gz JSDGHNXKMCZGGG-SNVBAGLBSA-N 1 3 215.300 2.384 10 0 BEAEHO NC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC12CCCC2 ZINC000423274865 388055120 /nfs/dbraw/zinc/05/51/20/388055120.db2.gz MQWAYNSTNBLOMJ-RWMBFGLXSA-N 1 3 222.376 2.426 10 0 BEAEHO CN(Cc1ccccc1)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000071521077 388097631 /nfs/dbraw/zinc/09/76/31/388097631.db2.gz RGEJNWVOHDUDKB-UONOGXRCSA-N 1 3 218.344 2.388 10 0 BEAEHO CSC1(C[NH2+][C@H](C)[C@@H]2CCCNC2)CCC1 ZINC000517122845 388537813 /nfs/dbraw/zinc/53/78/13/388537813.db2.gz LBRFARMCBXBXEM-VXGBXAGGSA-N 1 3 242.432 2.250 10 0 BEAEHO CC(C)C1(C[NH2+][C@@H](C)[C@@H]2CCCNC2)CC1 ZINC000517229944 388543863 /nfs/dbraw/zinc/54/38/63/388543863.db2.gz MWSLNMXKRAGYSQ-QWHCGFSZSA-N 1 3 224.392 2.400 10 0 BEAEHO C[C@H]([NH2+]C[C@H]1CCCCS1)[C@@H]1CCCNC1 ZINC000566090834 388987307 /nfs/dbraw/zinc/98/73/07/388987307.db2.gz DIBQBMRSTNZAHA-YNEHKIRRSA-N 1 3 242.432 2.250 10 0 BEAEHO C[C@@H](NCCCc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000400349966 533390487 /nfs/dbraw/zinc/39/04/87/533390487.db2.gz JQDXIKDVXFAYKC-HIFRSBDPSA-N 1 3 232.371 2.207 10 0 BEAEHO c1cc(N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)ccn1 ZINC000037918252 132345830 /nfs/dbraw/zinc/34/58/30/132345830.db2.gz ZWMRAEZOZCGGPE-JSGCOSHPSA-N 1 3 231.343 2.050 10 0 BEAEHO CCC[NH2+]C[C@@H]1CCCN(c2ccncc2)C1 ZINC000053701403 132363098 /nfs/dbraw/zinc/36/30/98/132363098.db2.gz LFRGQAPJBMGEKX-ZDUSSCGKSA-N 1 3 233.359 2.298 10 0 BEAEHO CN(C)C1CC[NH+](C[C@H]2CCCC2(F)F)CC1 ZINC000336192234 134123987 /nfs/dbraw/zinc/12/39/87/134123987.db2.gz HOYXCIQAECRVHL-LLVKDONJSA-N 1 3 246.345 2.448 10 0 BEAEHO [NH3+]C1CCN(C[C@H]2CCCC(F)(F)C2)CC1 ZINC000261533104 135164004 /nfs/dbraw/zinc/16/40/04/135164004.db2.gz QHKINQZWZUBZAM-JTQLQIEISA-N 1 3 232.318 2.235 10 0 BEAEHO C[C@]1(CN)CC[N@H+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC000261538261 135175228 /nfs/dbraw/zinc/17/52/28/135175228.db2.gz UNHYWDSVERHZFX-VXGBXAGGSA-N 1 3 246.345 2.483 10 0 BEAEHO C[C@]1(CN)CC[N@@H+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC000261538261 135175229 /nfs/dbraw/zinc/17/52/29/135175229.db2.gz UNHYWDSVERHZFX-VXGBXAGGSA-N 1 3 246.345 2.483 10 0 BEAEHO C[C@@H]1C[C@@H](CN)C[N@@H+]1C[C@@H]1CCCC(F)(F)C1 ZINC000261538250 135175592 /nfs/dbraw/zinc/17/55/92/135175592.db2.gz UGEOONNLIBNMLK-UTUOFQBUSA-N 1 3 246.345 2.481 10 0 BEAEHO C[C@@H]1C[C@@H](CN)C[N@H+]1C[C@@H]1CCCC(F)(F)C1 ZINC000261538250 135175594 /nfs/dbraw/zinc/17/55/94/135175594.db2.gz UGEOONNLIBNMLK-UTUOFQBUSA-N 1 3 246.345 2.481 10 0 BEAEHO C[C@@]1(CN2CCCC3(CCC3)C2)CC[NH2+]C1 ZINC000262053804 135276768 /nfs/dbraw/zinc/27/67/68/135276768.db2.gz QMMQNKPGITWMGY-CYBMUJFWSA-N 1 3 222.376 2.252 10 0 BEAEHO CC(C)OCCN(C)Cc1ccc(C[NH3+])cc1 ZINC000049259286 167227530 /nfs/dbraw/zinc/22/75/30/167227530.db2.gz FZJGGTSUYLRZIF-UHFFFAOYSA-N 1 3 236.359 2.002 10 0 BEAEHO CC(C)C[NH2+]CCCN(C)CC(C)C ZINC000052452556 410586197 /nfs/dbraw/zinc/58/61/97/410586197.db2.gz CURMWRKMZFEZQM-UHFFFAOYSA-N 1 3 200.370 2.210 10 0 BEAEHO CC(C)CC[NH+]1CC[C@H](C)N[C@@H](C)CC1 ZINC000049663263 166841077 /nfs/dbraw/zinc/84/10/77/166841077.db2.gz FMGNADMLGSSDGP-STQMWFEESA-N 1 3 212.381 2.495 10 0 BEAEHO CC(C)C[NH2+]C[C@@H]1CCCN1c1ccncc1 ZINC000053697264 167006115 /nfs/dbraw/zinc/00/61/15/167006115.db2.gz MMJQGYWLONNUBG-AWEZNQCLSA-N 1 3 233.359 2.296 10 0 BEAEHO CC(C)[NH2+]CCCN(CCO)C1CCCCC1 ZINC000042513793 167102328 /nfs/dbraw/zinc/10/23/28/167102328.db2.gz GHYXIVPZTRUNSE-UHFFFAOYSA-N 1 3 242.407 2.002 10 0 BEAEHO C[C@H](CN[C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccccn1 ZINC000656783024 411359555 /nfs/dbraw/zinc/35/95/55/411359555.db2.gz MCDMYQKOMQHFDT-HZSPNIEDSA-N 1 3 247.386 2.163 10 0 BEAEHO C[C@H](C[NH2+][C@@H](C)[C@@H]1CCCNC1)c1ccccn1 ZINC000656783024 411359559 /nfs/dbraw/zinc/35/95/59/411359559.db2.gz MCDMYQKOMQHFDT-HZSPNIEDSA-N 1 3 247.386 2.163 10 0 BEAEHO CCC(C)(C)[NH+]1C[C@@H](C)CNC[C@H](C)C1 ZINC000049665004 168288195 /nfs/dbraw/zinc/28/81/95/168288195.db2.gz SRKGHOKKZMUNGC-RYUDHWBXSA-N 1 3 212.381 2.352 10 0 BEAEHO CCN1CC[C@H](C[NH2+][C@@H](C)CC(C)(C)OC)C1 ZINC000037644173 170016507 /nfs/dbraw/zinc/01/65/07/170016507.db2.gz VHOUKRLIUUCHGY-QWHCGFSZSA-N 1 3 242.407 2.121 10 0 BEAEHO CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2CCCCOC ZINC000054628877 170109695 /nfs/dbraw/zinc/10/96/95/170109695.db2.gz ZELAYEXQEINNNO-AGUYFDCRSA-N 1 3 240.391 2.018 10 0 BEAEHO CC[NH2+]C[C@H](C)CN1CCC(C)(C)CC1 ZINC000061822666 170121691 /nfs/dbraw/zinc/12/16/91/170121691.db2.gz GNEUGHRFUJUVEY-LBPRGKRZSA-N 1 3 212.381 2.354 10 0 BEAEHO CC[NH2+]Cc1sccc1CN1CCCC1 ZINC000045205672 170132951 /nfs/dbraw/zinc/13/29/51/170132951.db2.gz YGKYFFUOZLNISI-UHFFFAOYSA-N 1 3 224.373 2.453 10 0 BEAEHO CCN[C@@H]1CC[N@@H+](C2CCCCCC2)C1 ZINC000037242436 170151771 /nfs/dbraw/zinc/15/17/71/170151771.db2.gz ARTKKILDPRMGOC-GFCCVEGCSA-N 1 3 210.365 2.393 10 0 BEAEHO CCN[C@@H]1CC[N@H+](C2CCCCCC2)C1 ZINC000037242436 170151772 /nfs/dbraw/zinc/15/17/72/170151772.db2.gz ARTKKILDPRMGOC-GFCCVEGCSA-N 1 3 210.365 2.393 10 0 BEAEHO CC[NH2+][C@H]1CCN(C2CCCC2)C[C@@H]1C ZINC000049709046 170167080 /nfs/dbraw/zinc/16/70/80/170167080.db2.gz YEKSWNLCIDVODY-AAEUAGOBSA-N 1 3 210.365 2.249 10 0 BEAEHO CC(C)=CCC[N@@H+](C)[C@@H]1CCCNCC1 ZINC000662267365 412060385 /nfs/dbraw/zinc/06/03/85/412060385.db2.gz UXTPSJBIZWRZIN-CYBMUJFWSA-N 1 3 210.365 2.417 10 0 BEAEHO CC(C)=CCC[N@H+](C)[C@@H]1CCCNCC1 ZINC000662267365 412060389 /nfs/dbraw/zinc/06/03/89/412060389.db2.gz UXTPSJBIZWRZIN-CYBMUJFWSA-N 1 3 210.365 2.417 10 0 BEAEHO CC(C)=CCCN(C)[C@@H]1CCC[NH2+]CC1 ZINC000662267365 412060392 /nfs/dbraw/zinc/06/03/92/412060392.db2.gz UXTPSJBIZWRZIN-CYBMUJFWSA-N 1 3 210.365 2.417 10 0 BEAEHO CC[C@@H]1CC[N@H+](CC2CCC2)CCCN1 ZINC000049665854 171007888 /nfs/dbraw/zinc/00/78/88/171007888.db2.gz BELAYPZZLLKBOB-CYBMUJFWSA-N 1 3 210.365 2.251 10 0 BEAEHO CC[C@@H]1CC[N@@H+](CC2CCC2)CCCN1 ZINC000049665854 171007890 /nfs/dbraw/zinc/00/78/90/171007890.db2.gz BELAYPZZLLKBOB-CYBMUJFWSA-N 1 3 210.365 2.251 10 0 BEAEHO CC[C@@H]1CCN(CC2CCC2)CCC[NH2+]1 ZINC000049665854 171007893 /nfs/dbraw/zinc/00/78/93/171007893.db2.gz BELAYPZZLLKBOB-CYBMUJFWSA-N 1 3 210.365 2.251 10 0 BEAEHO CC[C@H](C)C[C@@](CC)(C[NH3+])N(C)CCN(C)C ZINC000104187004 171297019 /nfs/dbraw/zinc/29/70/19/171297019.db2.gz JWSUKMPMYDBUQL-KBPBESRZSA-N 1 3 243.439 2.024 10 0 BEAEHO CC[C@H](C)C[C@@](CC)(CN)[N@H+](C)CCN(C)C ZINC000104187004 171297021 /nfs/dbraw/zinc/29/70/21/171297021.db2.gz JWSUKMPMYDBUQL-KBPBESRZSA-N 1 3 243.439 2.024 10 0 BEAEHO CC[C@H](C)C[C@@](CC)(CN)[N@@H+](C)CCN(C)C ZINC000104187004 171297022 /nfs/dbraw/zinc/29/70/22/171297022.db2.gz JWSUKMPMYDBUQL-KBPBESRZSA-N 1 3 243.439 2.024 10 0 BEAEHO CN(Cc1ccccc1)C[C@@H]1CCC[C@@H]1[NH3+] ZINC000053862926 172872602 /nfs/dbraw/zinc/87/26/02/172872602.db2.gz FTUMYCAQOZDBCD-KBPBESRZSA-N 1 3 218.344 2.246 10 0 BEAEHO CN1CCCC[C@@H]1CC[NH2+]CCc1ccccn1 ZINC000049773267 173005485 /nfs/dbraw/zinc/00/54/85/173005485.db2.gz OLAQWQQDAMYTPL-OAHLLOKOSA-N 1 3 247.386 2.088 10 0 BEAEHO C[N@@H+]1CCCC[C@@H]1CCNCCc1ccccn1 ZINC000049773267 173005488 /nfs/dbraw/zinc/00/54/88/173005488.db2.gz OLAQWQQDAMYTPL-OAHLLOKOSA-N 1 3 247.386 2.088 10 0 BEAEHO C[N@H+]1CCCC[C@@H]1CCNCCc1ccccn1 ZINC000049773267 173005490 /nfs/dbraw/zinc/00/54/90/173005490.db2.gz OLAQWQQDAMYTPL-OAHLLOKOSA-N 1 3 247.386 2.088 10 0 BEAEHO C[N@H+]1[C@@H]2CC[C@H]1CC(NCCc1ccco1)C2 ZINC000035661454 173206365 /nfs/dbraw/zinc/20/63/65/173206365.db2.gz UVOLIJQRSSMGBW-YHWZYXNKSA-N 1 3 234.343 2.037 10 0 BEAEHO C[N@@H+]1[C@@H]2CC[C@H]1CC(NCCc1ccco1)C2 ZINC000035661454 173206367 /nfs/dbraw/zinc/20/63/67/173206367.db2.gz UVOLIJQRSSMGBW-YHWZYXNKSA-N 1 3 234.343 2.037 10 0 BEAEHO C[NH2+]C[C@H](OC1CCN(C)CC1)c1ccccc1 ZINC000052596934 173377965 /nfs/dbraw/zinc/37/79/65/173377965.db2.gz UEMFUXWLAWFNBM-HNNXBMFYSA-N 1 3 248.370 2.058 10 0 BEAEHO C[NH2+]C[C@H]1CCN([C@@H]2CCc3ccccc3C2)C1 ZINC000053034949 173382059 /nfs/dbraw/zinc/38/20/59/173382059.db2.gz WSQPYFXMOIBRBU-CZUORRHYSA-N 1 3 244.382 2.085 10 0 BEAEHO CNC[C@H]1CC[N@@H+]([C@@H]2CCc3ccccc3C2)C1 ZINC000053034949 173382061 /nfs/dbraw/zinc/38/20/61/173382061.db2.gz WSQPYFXMOIBRBU-CZUORRHYSA-N 1 3 244.382 2.085 10 0 BEAEHO CNC[C@H]1CC[N@H+]([C@@H]2CCc3ccccc3C2)C1 ZINC000053034949 173382062 /nfs/dbraw/zinc/38/20/62/173382062.db2.gz WSQPYFXMOIBRBU-CZUORRHYSA-N 1 3 244.382 2.085 10 0 BEAEHO C[NH2+]Cc1ccc(OCCN2CCCCC2)cc1 ZINC000019777329 173389001 /nfs/dbraw/zinc/38/90/01/173389001.db2.gz DBSSYVFPBDRCEK-UHFFFAOYSA-N 1 3 248.370 2.271 10 0 BEAEHO C[NH2+]Cc1cccc(OCCN2CCCCC2)c1 ZINC000019777330 173389842 /nfs/dbraw/zinc/38/98/42/173389842.db2.gz HUBWYAYEOULLLU-UHFFFAOYSA-N 1 3 248.370 2.271 10 0 BEAEHO CNCc1occc1C[N@@H+]1CCC[C@H](C)C1 ZINC000052381309 173399574 /nfs/dbraw/zinc/39/95/74/173399574.db2.gz ZKOCSICHICOTGO-NSHDSACASA-N 1 3 222.332 2.231 10 0 BEAEHO CNCc1occc1C[N@H+]1CCC[C@H](C)C1 ZINC000052381309 173399575 /nfs/dbraw/zinc/39/95/75/173399575.db2.gz ZKOCSICHICOTGO-NSHDSACASA-N 1 3 222.332 2.231 10 0 BEAEHO COC1CC[NH+]([C@@H]2CCCCC[C@H]2CN)CC1 ZINC000037265713 174031055 /nfs/dbraw/zinc/03/10/55/174031055.db2.gz FIRASDISUBELDJ-GXTWGEPZSA-N 1 3 240.391 2.005 10 0 BEAEHO COc1ccc([C@@H](C)NC[C@@H]2CC[N@H+](C)C2)cc1 ZINC000037646155 175177129 /nfs/dbraw/zinc/17/71/29/175177129.db2.gz UNDVNAGJIUOELQ-OLZOCXBDSA-N 1 3 248.370 2.298 10 0 BEAEHO COc1ccc([C@@H](C)NC[C@@H]2CC[N@@H+](C)C2)cc1 ZINC000037646155 175177131 /nfs/dbraw/zinc/17/71/31/175177131.db2.gz UNDVNAGJIUOELQ-OLZOCXBDSA-N 1 3 248.370 2.298 10 0 BEAEHO COc1ccc([C@H](C)NC[C@H]2CC[N@H+](C)C2)cc1 ZINC000037646156 175189674 /nfs/dbraw/zinc/18/96/74/175189674.db2.gz UNDVNAGJIUOELQ-QWHCGFSZSA-N 1 3 248.370 2.298 10 0 BEAEHO COc1ccc([C@H](C)NC[C@H]2CC[N@@H+](C)C2)cc1 ZINC000037646156 175189675 /nfs/dbraw/zinc/18/96/75/175189675.db2.gz UNDVNAGJIUOELQ-QWHCGFSZSA-N 1 3 248.370 2.298 10 0 BEAEHO C[C@@H](c1ccccc1)[N@@H+]1CCN[C@H](C)CC1 ZINC000049661337 176022208 /nfs/dbraw/zinc/02/22/08/176022208.db2.gz VKPFDCPOIHVGGD-OLZOCXBDSA-N 1 3 218.344 2.431 10 0 BEAEHO C[C@@H](c1ccccc1)[N@H+]1CCN[C@H](C)CC1 ZINC000049661337 176022209 /nfs/dbraw/zinc/02/22/09/176022209.db2.gz VKPFDCPOIHVGGD-OLZOCXBDSA-N 1 3 218.344 2.431 10 0 BEAEHO C[C@@H](c1cccs1)N1CC[C@@H](C[NH3+])C1 ZINC000100256724 176034378 /nfs/dbraw/zinc/03/43/78/176034378.db2.gz XZDHMSCIVWBHAY-UWVGGRQHSA-N 1 3 210.346 2.090 10 0 BEAEHO C[C@@H]1CCCCN1CCC[NH2+]C1CCC1 ZINC000044480011 176070901 /nfs/dbraw/zinc/07/09/01/176070901.db2.gz FROZWIGFEPQNPG-GFCCVEGCSA-N 1 3 210.365 2.393 10 0 BEAEHO C[C@@H]1CCC[C@@H](C)C1[NH+]1CCC(N)CC1 ZINC000034958706 176113909 /nfs/dbraw/zinc/11/39/09/176113909.db2.gz TZUKKZHRDAMJLN-GHMZBOCLSA-N 1 3 210.365 2.234 10 0 BEAEHO C[C@@H]1CCC[C@@H]([NH+]2CCCNCCC2)C1 ZINC000049665922 176120717 /nfs/dbraw/zinc/12/07/17/176120717.db2.gz YLBNJPUCWCPLDD-CHWSQXEVSA-N 1 3 210.365 2.251 10 0 BEAEHO C[C@@H]1CC[C@@H](C[NH3+])[C@H](N(C)Cc2ccncc2)C1 ZINC000036771882 176202264 /nfs/dbraw/zinc/20/22/64/176202264.db2.gz VPNSYXMLKFAIHR-VHDGCEQUSA-N 1 3 247.386 2.277 10 0 BEAEHO C[C@@H]1C[N@@H+](C2(C)CCCCC2)CC[C@@H]1N ZINC000045046026 176280240 /nfs/dbraw/zinc/28/02/40/176280240.db2.gz IENSCRYGFMSYRS-NEPJUHHUSA-N 1 3 210.365 2.378 10 0 BEAEHO C[C@@H]1C[N@H+](C2(C)CCCCC2)CC[C@@H]1N ZINC000045046026 176280242 /nfs/dbraw/zinc/28/02/42/176280242.db2.gz IENSCRYGFMSYRS-NEPJUHHUSA-N 1 3 210.365 2.378 10 0 BEAEHO C[C@@H]1C[N@H+](CC[C@H](N)c2ccccc2)CCCO1 ZINC000061934319 176294764 /nfs/dbraw/zinc/29/47/64/176294764.db2.gz SLTFGTNZJQBDBX-HIFRSBDPSA-N 1 3 248.370 2.187 10 0 BEAEHO C[C@@H]1C[N@@H+](CC[C@H](N)c2ccccc2)CCCO1 ZINC000061934319 176294766 /nfs/dbraw/zinc/29/47/66/176294766.db2.gz SLTFGTNZJQBDBX-HIFRSBDPSA-N 1 3 248.370 2.187 10 0 BEAEHO C[C@@H]1CNCCC[N@H+](CC2CCCC2)C1 ZINC000049666019 176324732 /nfs/dbraw/zinc/32/47/32/176324732.db2.gz RBUMIXUHBORKJA-GFCCVEGCSA-N 1 3 210.365 2.108 10 0 BEAEHO C[C@@H]1CNCCC[N@@H+](CC2CCCC2)C1 ZINC000049666019 176324734 /nfs/dbraw/zinc/32/47/34/176324734.db2.gz RBUMIXUHBORKJA-GFCCVEGCSA-N 1 3 210.365 2.108 10 0 BEAEHO C[C@H]1CCCC[C@@]1(CN)[N@H+](C)Cc1cccnc1 ZINC000036770987 177085576 /nfs/dbraw/zinc/08/55/76/177085576.db2.gz SOCLIGCQEAXWNE-ZFWWWQNUSA-N 1 3 247.386 2.421 10 0 BEAEHO C[C@H]1CCCC[C@@]1(CN)[N@@H+](C)Cc1cccnc1 ZINC000036770987 177085578 /nfs/dbraw/zinc/08/55/78/177085578.db2.gz SOCLIGCQEAXWNE-ZFWWWQNUSA-N 1 3 247.386 2.421 10 0 BEAEHO C[C@@H]1CCC[C@H](C)C1[NH+]1CCC(N)CC1 ZINC000034958704 177114175 /nfs/dbraw/zinc/11/41/75/177114175.db2.gz TZUKKZHRDAMJLN-QYJAPNMZSA-N 1 3 210.365 2.234 10 0 BEAEHO C[C@@H]1CC[N@@H+](CC2CCC2)CC[C@H](C)N1 ZINC000049665864 177159484 /nfs/dbraw/zinc/15/94/84/177159484.db2.gz MGQQGJCJNJAYPL-TXEJJXNPSA-N 1 3 210.365 2.249 10 0 BEAEHO C[C@@H]1CC[N@H+](CC2CCC2)CC[C@H](C)N1 ZINC000049665864 177159487 /nfs/dbraw/zinc/15/94/87/177159487.db2.gz MGQQGJCJNJAYPL-TXEJJXNPSA-N 1 3 210.365 2.249 10 0 BEAEHO C[C@H]1CC[C@@H](C[NH3+])CN1Cc1cccs1 ZINC000042427268 177189407 /nfs/dbraw/zinc/18/94/07/177189407.db2.gz UULKCNKNLCNSLY-QWRGUYRKSA-N 1 3 224.373 2.307 10 0 BEAEHO C[C@H]1CC[C@@H](C[NH3+])CN1Cc1ccccc1 ZINC000042427363 177189841 /nfs/dbraw/zinc/18/98/41/177189841.db2.gz TYQOEBOKARBTQU-JSGCOSHPSA-N 1 3 218.344 2.246 10 0 BEAEHO C[C@H]1CN(CCCCCCC[NH3+])C[C@H](C)O1 ZINC000020071879 177248651 /nfs/dbraw/zinc/24/86/51/177248651.db2.gz GOROZGHHSNVMQW-STQMWFEESA-N 1 3 228.380 2.005 10 0 BEAEHO C[C@H]1C[NH2+]CCCN(Cc2ccccc2)C1 ZINC000049664209 177281375 /nfs/dbraw/zinc/28/13/75/177281375.db2.gz HXXXKABEVQNWHL-ZDUSSCGKSA-N 1 3 218.344 2.118 10 0 BEAEHO C[C@H]1C[NH2+]CCCN([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000044660187 177281636 /nfs/dbraw/zinc/28/16/36/177281636.db2.gz MCNYFOSFCSNYAW-NUEKZKHPSA-N 1 3 244.382 2.474 10 0 BEAEHO C[C@@H]1CNC[C@H](C)C[N@H+](C2CCCC2)C1 ZINC000049664906 177285018 /nfs/dbraw/zinc/28/50/18/177285018.db2.gz WGLNXLUHZJMZDZ-TXEJJXNPSA-N 1 3 210.365 2.106 10 0 BEAEHO C[C@@H]1CNC[C@H](C)C[N@@H+](C2CCCC2)C1 ZINC000049664906 177285020 /nfs/dbraw/zinc/28/50/20/177285020.db2.gz WGLNXLUHZJMZDZ-TXEJJXNPSA-N 1 3 210.365 2.106 10 0 BEAEHO C[C@@H]1C[NH2+]C[C@H](C)CN(CCc2ccccc2)C1 ZINC000049664783 177285764 /nfs/dbraw/zinc/28/57/64/177285764.db2.gz ZLVXTJRIKIOLQQ-GASCZTMLSA-N 1 3 246.398 2.407 10 0 BEAEHO C[C@@H]1CNC[C@H](C)C[N@@H+](CCc2ccccc2)C1 ZINC000049664783 177285765 /nfs/dbraw/zinc/28/57/65/177285765.db2.gz ZLVXTJRIKIOLQQ-GASCZTMLSA-N 1 3 246.398 2.407 10 0 BEAEHO C[C@@H]1CNC[C@H](C)C[N@H+](CCc2ccccc2)C1 ZINC000049664783 177285766 /nfs/dbraw/zinc/28/57/66/177285766.db2.gz ZLVXTJRIKIOLQQ-GASCZTMLSA-N 1 3 246.398 2.407 10 0 BEAEHO C[C@H](CN[C@@H](C)[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000400396408 226342620 /nfs/dbraw/zinc/34/26/20/226342620.db2.gz JMJQZLZYFZJXHZ-IPYPFGDCSA-N 1 3 232.371 2.378 10 0 BEAEHO C[C@H](NCCCOc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000400455833 226344045 /nfs/dbraw/zinc/34/40/45/226344045.db2.gz PXOSVAOOPGUQJY-KBPBESRZSA-N 1 3 248.370 2.043 10 0 BEAEHO C[C@H](N[C@@H]1CCc2ccccc2C1)[C@@H]1CC[NH2+]C1 ZINC000400482572 226344567 /nfs/dbraw/zinc/34/45/67/226344567.db2.gz GBPRQIQKBSRMAP-APHBMKBZSA-N 1 3 244.382 2.132 10 0 BEAEHO CC(C)[C@H](N)CC[N@H+](C)[C@H](C)C(C)C ZINC000252684161 487829380 /nfs/dbraw/zinc/82/93/80/487829380.db2.gz FZWFNVUGOHWPIL-VXGBXAGGSA-N 1 3 200.370 2.336 10 0 BEAEHO CC(C)[C@H](N)CC[N@@H+](C)[C@H](C)C(C)C ZINC000252684161 487829386 /nfs/dbraw/zinc/82/93/86/487829386.db2.gz FZWFNVUGOHWPIL-VXGBXAGGSA-N 1 3 200.370 2.336 10 0 BEAEHO C[C@H]([NH2+]C[C@H]1CC[C@@H](C)C1)[C@H]1CCCNC1 ZINC000572593362 322994950 /nfs/dbraw/zinc/99/49/50/322994950.db2.gz NSVOIMKQFZLTOY-RFGFWPKPSA-N 1 3 224.392 2.400 10 0 BEAEHO CCC(C)(C)C[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000570262392 323054399 /nfs/dbraw/zinc/05/43/99/323054399.db2.gz QHKRNRVBADWGTE-NWDGAFQWSA-N 1 3 212.381 2.400 10 0 BEAEHO C[C@H]([NH2+]C[C@H]1CCCC1(F)F)[C@@H]1CCCNC1 ZINC000570507883 323061668 /nfs/dbraw/zinc/06/16/68/323061668.db2.gz MUDUDIBGNFQQIK-QJPTWQEYSA-N 1 3 246.345 2.400 10 0 BEAEHO C[C@H](NC[C@H]1CCCC1(F)F)[C@@H]1CCC[NH2+]C1 ZINC000570507883 323061669 /nfs/dbraw/zinc/06/16/69/323061669.db2.gz MUDUDIBGNFQQIK-QJPTWQEYSA-N 1 3 246.345 2.400 10 0 BEAEHO C1=CC[C@H](CC[NH2+][C@H]2CCCNCC2)CC1 ZINC000530218254 324536365 /nfs/dbraw/zinc/53/63/65/324536365.db2.gz KYJILYARMYOTIU-KBPBESRZSA-N 1 3 222.376 2.465 10 0 BEAEHO [NH3+]CCCN1CCC(C2CCCC2)CC1 ZINC000220498869 487509407 /nfs/dbraw/zinc/50/94/07/487509407.db2.gz ZGDBGVQLEAVCKO-UHFFFAOYSA-N 1 3 210.365 2.237 10 0 BEAEHO CC(C)C[N@@H+]1CCC[C@@]12CCCN[C@@H]2C ZINC000757124245 582499396 /nfs/dbraw/zinc/49/93/96/582499396.db2.gz CFOLKHFBJXSDBV-CHWSQXEVSA-N 1 3 210.365 2.249 10 0 BEAEHO CC(C)C[N@H+]1CCC[C@@]12CCCN[C@@H]2C ZINC000757124245 582499398 /nfs/dbraw/zinc/49/93/98/582499398.db2.gz CFOLKHFBJXSDBV-CHWSQXEVSA-N 1 3 210.365 2.249 10 0 BEAEHO CC(C)CN1CCC[C@@]12CCC[NH2+][C@@H]2C ZINC000757124245 582499399 /nfs/dbraw/zinc/49/93/99/582499399.db2.gz CFOLKHFBJXSDBV-CHWSQXEVSA-N 1 3 210.365 2.249 10 0 BEAEHO C[C@H]1NCCC[C@@]12CCC[N@@H+]2CC1CC1 ZINC000757126564 582501564 /nfs/dbraw/zinc/50/15/64/582501564.db2.gz GCQOXTAZGKOREY-DGCLKSJQSA-N 1 3 208.349 2.003 10 0 BEAEHO C[C@H]1NCCC[C@@]12CCC[N@H+]2CC1CC1 ZINC000757126564 582501566 /nfs/dbraw/zinc/50/15/66/582501566.db2.gz GCQOXTAZGKOREY-DGCLKSJQSA-N 1 3 208.349 2.003 10 0 BEAEHO C[C@H]1[NH2+]CCC[C@@]12CCCN2CC1CC1 ZINC000757126564 582501568 /nfs/dbraw/zinc/50/15/68/582501568.db2.gz GCQOXTAZGKOREY-DGCLKSJQSA-N 1 3 208.349 2.003 10 0 BEAEHO CC[C@H](C)N1CCC[C@@]12CC[C@@H](C)[NH2+]C2 ZINC000757130746 582505045 /nfs/dbraw/zinc/50/50/45/582505045.db2.gz NYYNHKFEJDZOOO-AGIUHOORSA-N 1 3 210.365 2.391 10 0 BEAEHO CC[C@H](C)[N@@H+]1CCC[C@@]12CC[C@@H](C)NC2 ZINC000757130746 582505047 /nfs/dbraw/zinc/50/50/47/582505047.db2.gz NYYNHKFEJDZOOO-AGIUHOORSA-N 1 3 210.365 2.391 10 0 BEAEHO CC[C@H](C)[N@H+]1CCC[C@@]12CC[C@@H](C)NC2 ZINC000757130746 582505049 /nfs/dbraw/zinc/50/50/49/582505049.db2.gz NYYNHKFEJDZOOO-AGIUHOORSA-N 1 3 210.365 2.391 10 0 BEAEHO Cc1cccc(CCN[C@H](C)[C@H]2CC[NH2+]C2)c1 ZINC000400347720 534695385 /nfs/dbraw/zinc/69/53/85/534695385.db2.gz IFXOHRJNOLCYLI-HIFRSBDPSA-N 1 3 232.371 2.125 10 0 BEAEHO CC(C)CN1CC[C@@H]([NH2+]C2CC2)[C@@H](C)C1 ZINC000226859207 535134159 /nfs/dbraw/zinc/13/41/59/535134159.db2.gz OMERQUVAOCXVFM-WCQYABFASA-N 1 3 210.365 2.105 10 0 BEAEHO CC(C)C[N@@H+]1CC[C@@H](NC2CC2)[C@@H](C)C1 ZINC000226859207 535134163 /nfs/dbraw/zinc/13/41/63/535134163.db2.gz OMERQUVAOCXVFM-WCQYABFASA-N 1 3 210.365 2.105 10 0 BEAEHO CC(C)C[N@H+]1CC[C@@H](NC2CC2)[C@@H](C)C1 ZINC000226859207 535134168 /nfs/dbraw/zinc/13/41/68/535134168.db2.gz OMERQUVAOCXVFM-WCQYABFASA-N 1 3 210.365 2.105 10 0 BEAEHO CN(c1ccnc2ccccc21)C1CC([NH3+])C1 ZINC000335659884 536300672 /nfs/dbraw/zinc/30/06/72/536300672.db2.gz NLIUYQBRJDBBMA-UHFFFAOYSA-N 1 3 227.311 2.161 10 0 BEAEHO C[C@H]1C[NH+](Cc2cccc3c2CCNC3)C[C@@H]1C ZINC000123997476 566284463 /nfs/dbraw/zinc/28/44/63/566284463.db2.gz CDTNBDWSYIWELP-STQMWFEESA-N 1 3 244.382 2.420 10 0 BEAEHO CC(C)CC[N@@H+]1CCC[C@@]12CNC[C@H](C)C2 ZINC000757127978 582503305 /nfs/dbraw/zinc/50/33/05/582503305.db2.gz IKGITYXQIRLARY-ZIAGYGMSSA-N 1 3 224.392 2.497 10 0 BEAEHO CC(C)CC[N@H+]1CCC[C@@]12CNC[C@H](C)C2 ZINC000757127978 582503307 /nfs/dbraw/zinc/50/33/07/582503307.db2.gz IKGITYXQIRLARY-ZIAGYGMSSA-N 1 3 224.392 2.497 10 0 BEAEHO CC(C)CCN1CCC[C@@]12C[NH2+]C[C@H](C)C2 ZINC000757127978 582503309 /nfs/dbraw/zinc/50/33/09/582503309.db2.gz IKGITYXQIRLARY-ZIAGYGMSSA-N 1 3 224.392 2.497 10 0 BEAEHO COCC[C@H](C)[N@@H+]1CCC[C@@]12CC[C@H](C)NC2 ZINC000757129526 582503869 /nfs/dbraw/zinc/50/38/69/582503869.db2.gz LVPKSLOZKOSVLV-IHRRRGAJSA-N 1 3 240.391 2.018 10 0 BEAEHO COCC[C@H](C)[N@H+]1CCC[C@@]12CC[C@H](C)NC2 ZINC000757129526 582503870 /nfs/dbraw/zinc/50/38/70/582503870.db2.gz LVPKSLOZKOSVLV-IHRRRGAJSA-N 1 3 240.391 2.018 10 0 BEAEHO C[C@H]1CC[C@]2(CCC[N@@H+]2CC2CC2)CN1 ZINC000757129716 582504139 /nfs/dbraw/zinc/50/41/39/582504139.db2.gz MUVWJIRIDRPGMR-WCQYABFASA-N 1 3 208.349 2.003 10 0 BEAEHO C[C@H]1CC[C@]2(CCC[N@H+]2CC2CC2)CN1 ZINC000757129716 582504140 /nfs/dbraw/zinc/50/41/40/582504140.db2.gz MUVWJIRIDRPGMR-WCQYABFASA-N 1 3 208.349 2.003 10 0 BEAEHO C[C@H]1NCCC[C@]12CCC[N@@H+]2CCC1CC1 ZINC000757133765 582510688 /nfs/dbraw/zinc/51/06/88/582510688.db2.gz UEEGGKJLMWBYIS-OCCSQVGLSA-N 1 3 222.376 2.393 10 0 BEAEHO C[C@H]1NCCC[C@]12CCC[N@H+]2CCC1CC1 ZINC000757133765 582510689 /nfs/dbraw/zinc/51/06/89/582510689.db2.gz UEEGGKJLMWBYIS-OCCSQVGLSA-N 1 3 222.376 2.393 10 0 BEAEHO C[C@H]1[NH2+]CCC[C@]12CCCN2CCC1CC1 ZINC000757133765 582510690 /nfs/dbraw/zinc/51/06/90/582510690.db2.gz UEEGGKJLMWBYIS-OCCSQVGLSA-N 1 3 222.376 2.393 10 0 BEAEHO CCN1CCC2(CC1)[NH2+]CC(CC)(CC)CO2 ZINC000757147060 582530900 /nfs/dbraw/zinc/53/09/00/582530900.db2.gz LCRKQFBQINVFNW-UHFFFAOYSA-N 1 3 240.391 2.225 10 0 BEAEHO CC1(c2ccc([C@H]3CNC[C@@H](C[NH3+])C3)cc2)CC1 ZINC000757218589 582561899 /nfs/dbraw/zinc/56/18/99/582561899.db2.gz VASWUXZNPHQZIH-TZMCWYRMSA-N 1 3 244.382 2.390 10 0 BEAEHO CC1(c2ccc([C@H]3C[NH2+]C[C@@H](CN)C3)cc2)CC1 ZINC000757218589 582561900 /nfs/dbraw/zinc/56/19/00/582561900.db2.gz VASWUXZNPHQZIH-TZMCWYRMSA-N 1 3 244.382 2.390 10 0 BEAEHO [NH3+]C[C@H]1CCCN[C@@H]1c1cccc2cc[nH]c21 ZINC000757219515 582563890 /nfs/dbraw/zinc/56/38/90/582563890.db2.gz XFTVCJFRIOVICJ-RISCZKNCSA-N 1 3 229.327 2.167 10 0 BEAEHO C[C@@H]1C[C@H](C)[C@@H](C[NH3+])[C@@H](c2ccccc2)N1 ZINC000757218671 582563912 /nfs/dbraw/zinc/56/39/12/582563912.db2.gz WQSPSONBJHHWCN-OIMNJJJWSA-N 1 3 218.344 2.321 10 0 BEAEHO C[C@H]1CCCN(C[C@@H]2CCCC[NH2+]C2)C1 ZINC000108353983 583600423 /nfs/dbraw/zinc/60/04/23/583600423.db2.gz NZDCISWSDGIBJO-QWHCGFSZSA-N 1 3 210.365 2.108 10 0 BEAEHO C[C@H]1CCC[N@H+](C[C@@H]2CCCCNC2)C1 ZINC000108353983 583600425 /nfs/dbraw/zinc/60/04/25/583600425.db2.gz NZDCISWSDGIBJO-QWHCGFSZSA-N 1 3 210.365 2.108 10 0 BEAEHO C[C@H]1CCC[N@@H+](C[C@@H]2CCCCNC2)C1 ZINC000108353983 583600427 /nfs/dbraw/zinc/60/04/27/583600427.db2.gz NZDCISWSDGIBJO-QWHCGFSZSA-N 1 3 210.365 2.108 10 0 BEAEHO C[C@H]1CC[C@]2(CCCN2CCC2CC2)C[NH2+]1 ZINC000757129665 586425931 /nfs/dbraw/zinc/42/59/31/586425931.db2.gz MSXUDPRIDMHTGJ-GXTWGEPZSA-N 1 3 222.376 2.393 10 0 BEAEHO C[C@H]1CC[C@]2(CCC[N@@H+]2CCC2CC2)CN1 ZINC000757129665 586425932 /nfs/dbraw/zinc/42/59/32/586425932.db2.gz MSXUDPRIDMHTGJ-GXTWGEPZSA-N 1 3 222.376 2.393 10 0 BEAEHO C[C@H]1CC[C@]2(CCC[N@H+]2CCC2CC2)CN1 ZINC000757129665 586425934 /nfs/dbraw/zinc/42/59/34/586425934.db2.gz MSXUDPRIDMHTGJ-GXTWGEPZSA-N 1 3 222.376 2.393 10 0 BEAEHO C[C@H]1NCCC[C@@]12CCC[N@@H+]2CCC1CC1 ZINC000757133772 586427211 /nfs/dbraw/zinc/42/72/11/586427211.db2.gz UEEGGKJLMWBYIS-TZMCWYRMSA-N 1 3 222.376 2.393 10 0 BEAEHO C[C@H]1NCCC[C@@]12CCC[N@H+]2CCC1CC1 ZINC000757133772 586427213 /nfs/dbraw/zinc/42/72/13/586427213.db2.gz UEEGGKJLMWBYIS-TZMCWYRMSA-N 1 3 222.376 2.393 10 0 BEAEHO C[C@H]1[NH2+]CCC[C@@]12CCCN2CCC1CC1 ZINC000757133772 586427215 /nfs/dbraw/zinc/42/72/15/586427215.db2.gz UEEGGKJLMWBYIS-TZMCWYRMSA-N 1 3 222.376 2.393 10 0 BEAEHO CC1(c2ccc([C@@H]3CNC[C@H]([NH3+])C3)cc2)CC1 ZINC000757219338 586442128 /nfs/dbraw/zinc/44/21/28/586442128.db2.gz WXHSQQWXRJKALL-GXTWGEPZSA-N 1 3 230.355 2.142 10 0 BEAEHO Cc1ccc(N)cc1[C@@H]1N[C@H](C)C[C@H](C)[C@H]1C[NH3+] ZINC000757228577 586442922 /nfs/dbraw/zinc/44/29/22/586442922.db2.gz DBGPZWHRPRLHOO-DRABBMOASA-N 1 3 247.386 2.211 10 0 BEAEHO C/C(=C/c1ccccc1)CN1CC[C@@H](C[NH3+])C1 ZINC000229500266 640961593 /nfs/dbraw/zinc/96/15/93/640961593.db2.gz VCZQLEOXZXJBCG-CTXBLAANSA-N 1 3 230.355 2.371 10 0 BEAEHO CC[C@H](C)[N@@H+]1CCC[C@]12CNC[C@H](C)C2 ZINC000757132722 643257887 /nfs/dbraw/zinc/25/78/87/643257887.db2.gz RRODXZYTRSHGBL-AGIUHOORSA-N 1 3 210.365 2.249 10 0 BEAEHO CC[C@H](C)[N@H+]1CCC[C@]12CNC[C@H](C)C2 ZINC000757132722 643257892 /nfs/dbraw/zinc/25/78/92/643257892.db2.gz RRODXZYTRSHGBL-AGIUHOORSA-N 1 3 210.365 2.249 10 0 BEAEHO CC[C@H](C)N1CCC[C@]12C[NH2+]C[C@H](C)C2 ZINC000757132722 643257895 /nfs/dbraw/zinc/25/78/95/643257895.db2.gz RRODXZYTRSHGBL-AGIUHOORSA-N 1 3 210.365 2.249 10 0 BEAEHO CCC[C@H]1CCOC2(CC[NH+](C3CC3)CC2)N1 ZINC000757149755 643337213 /nfs/dbraw/zinc/33/72/13/643337213.db2.gz WSGHZVIRVSLDIS-LBPRGKRZSA-N 1 3 238.375 2.120 10 0 BEAEHO C[C@@H]1CC[C@H](C)[N@@H+]([C@H]2[C@H](C)CNC[C@@H]2C)C1 ZINC000685951924 644518798 /nfs/dbraw/zinc/51/87/98/644518798.db2.gz ZHSYTKMHYMPGNI-DGTMBMJNSA-N 1 3 224.392 2.351 10 0 BEAEHO C[C@@H]1CC[C@H](C)[N@H+]([C@H]2[C@H](C)CNC[C@@H]2C)C1 ZINC000685951924 644518801 /nfs/dbraw/zinc/51/88/01/644518801.db2.gz ZHSYTKMHYMPGNI-DGTMBMJNSA-N 1 3 224.392 2.351 10 0 BEAEHO C[C@@H]1CN([C@@H]2C[C@H]2c2ccccc2)CC[C@H]1[NH3+] ZINC000251925995 644830552 /nfs/dbraw/zinc/83/05/52/644830552.db2.gz YIRKCKKSGODIAD-FAAHXZRKSA-N 1 3 230.355 2.212 10 0 BEAEHO CCC[C@@H](C)C[NH2+]C[C@@H]1CCN(CC)C1 ZINC000037484260 712650679 /nfs/dbraw/zinc/65/06/79/712650679.db2.gz VUNBDXXBGGGNBL-OLZOCXBDSA-N 1 3 212.381 2.354 10 0 BEAEHO CC1(C)C[NH2+]C[C@@H]1Nc1ccnc2ccccc21 ZINC000721859628 710686472 /nfs/dbraw/zinc/68/64/72/710686472.db2.gz VYAQBEVLVNAHQC-AWEZNQCLSA-N 1 3 241.338 2.067 10 0 BEAEHO CC1(C)C[NH2+]C[C@H]1Nc1ccnc2ccccc21 ZINC000721859632 710687971 /nfs/dbraw/zinc/68/79/71/710687971.db2.gz VYAQBEVLVNAHQC-CQSZACIVSA-N 1 3 241.338 2.067 10 0 BEAEHO CC[C@H]1CCCC[N@@H+]1CCCNC1CC1 ZINC000037478553 711466856 /nfs/dbraw/zinc/46/68/56/711466856.db2.gz LSGKCNZRKRNOQM-ZDUSSCGKSA-N 1 3 210.365 2.393 10 0 BEAEHO CC[C@H]1CCCC[N@H+]1CCCNC1CC1 ZINC000037478553 711466858 /nfs/dbraw/zinc/46/68/58/711466858.db2.gz LSGKCNZRKRNOQM-ZDUSSCGKSA-N 1 3 210.365 2.393 10 0 BEAEHO CC[C@H]1CCCCN1CCC[NH2+]C1CC1 ZINC000037478553 711466860 /nfs/dbraw/zinc/46/68/60/711466860.db2.gz LSGKCNZRKRNOQM-ZDUSSCGKSA-N 1 3 210.365 2.393 10 0 BEAEHO [NH3+][C@H]1CCC[C@]12CCN(Cc1ccccc1)C2 ZINC000071373385 398148114 /nfs/dbraw/zinc/14/81/14/398148114.db2.gz XSLBNUDXCRSMOS-LSDHHAIUSA-N 1 3 230.355 2.390 10 0 BEAEHO CC1(C)CC[C@@H](N)C[N@@H+]1Cc1ccccc1 ZINC000258883212 349518798 /nfs/dbraw/zinc/51/87/98/349518798.db2.gz SWLVJRPGACPDIT-CYBMUJFWSA-N 1 3 218.344 2.388 10 0 BEAEHO CC1(C)CC[C@@H](N)C[N@H+]1Cc1ccccc1 ZINC000258883212 349518801 /nfs/dbraw/zinc/51/88/01/349518801.db2.gz SWLVJRPGACPDIT-CYBMUJFWSA-N 1 3 218.344 2.388 10 0 BEAEHO C[C@@H]1C[C@@H](CN)C[N@@H+]1C[C@H]1CCCCC1(F)F ZINC000381590218 398254069 /nfs/dbraw/zinc/25/40/69/398254069.db2.gz DIRSECRDHRRGFI-GRYCIOLGSA-N 1 3 246.345 2.481 10 0 BEAEHO C[C@@H]1C[C@@H](CN)C[N@H+]1C[C@H]1CCCCC1(F)F ZINC000381590218 398254073 /nfs/dbraw/zinc/25/40/73/398254073.db2.gz DIRSECRDHRRGFI-GRYCIOLGSA-N 1 3 246.345 2.481 10 0 BEAEHO CCC(CC)N(C)CC[NH2+]CCN(CC)CC ZINC000053384030 168369008 /nfs/dbraw/zinc/36/90/08/168369008.db2.gz RCQVORDIQCWDDO-UHFFFAOYSA-N 1 3 243.439 2.038 10 0 BEAEHO CCC(CC)N(CCOC)C[C@H]([NH3+])C(C)(C)C ZINC000042616075 168373760 /nfs/dbraw/zinc/37/37/60/168373760.db2.gz HCHZCUZTRIBRTR-ZDUSSCGKSA-N 1 3 244.423 2.497 10 0 BEAEHO CCC(CC)[N@H+](CCOC)[C@H]1CCC[C@@H]1CN ZINC000042614303 168375555 /nfs/dbraw/zinc/37/55/55/168375555.db2.gz SWVKIXRJQYQQKB-OCCSQVGLSA-N 1 3 242.407 2.251 10 0 BEAEHO CCC(CC)[N@@H+](CCOC)[C@H]1CCC[C@@H]1CN ZINC000042614303 168375557 /nfs/dbraw/zinc/37/55/57/168375557.db2.gz SWVKIXRJQYQQKB-OCCSQVGLSA-N 1 3 242.407 2.251 10 0 BEAEHO CCC(CC)[N@H+](CCOC)[C@H]1CC[C@H](C)NC1 ZINC000062948917 168376463 /nfs/dbraw/zinc/37/64/63/168376463.db2.gz MNDFKVJTEZDPIB-JSGCOSHPSA-N 1 3 242.407 2.264 10 0 BEAEHO CCC(CC)[N@@H+](CCOC)[C@H]1CC[C@H](C)NC1 ZINC000062948917 168376464 /nfs/dbraw/zinc/37/64/64/168376464.db2.gz MNDFKVJTEZDPIB-JSGCOSHPSA-N 1 3 242.407 2.264 10 0 BEAEHO CCN(CCCCCC[NH3+])Cc1cccnc1 ZINC000138558977 342902387 /nfs/dbraw/zinc/90/23/87/342902387.db2.gz CXADOGWWJQWMQB-UHFFFAOYSA-N 1 3 235.375 2.423 10 0 BEAEHO CC[C@H](C)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037916542 398335298 /nfs/dbraw/zinc/33/52/98/398335298.db2.gz XSRTUPIIARLOOR-AVGNSLFASA-N 1 3 210.365 2.249 10 0 BEAEHO CC[NH+](CC)[C@@H]1CCN[C@H]2CCCC[C@H]12 ZINC000584881475 343082322 /nfs/dbraw/zinc/08/23/22/343082322.db2.gz JCGFRKQGIOOYFC-RWMBFGLXSA-N 1 3 210.365 2.249 10 0 BEAEHO CC[NH+](CC)[C@@H]1CCN[C@@H]2CCCC[C@H]21 ZINC000584881474 343082351 /nfs/dbraw/zinc/08/23/51/343082351.db2.gz JCGFRKQGIOOYFC-JHJVBQTASA-N 1 3 210.365 2.249 10 0 BEAEHO FC1(F)CCC[C@H]2C[N@@H+](C3CCNCC3)C[C@H]21 ZINC000409431485 343823640 /nfs/dbraw/zinc/82/36/40/343823640.db2.gz SMLZHNROBGCDGV-CMPLNLGQSA-N 1 3 244.329 2.106 10 0 BEAEHO FC1(F)CCC[C@H]2C[N@H+](C3CCNCC3)C[C@H]21 ZINC000409431485 343823643 /nfs/dbraw/zinc/82/36/43/343823643.db2.gz SMLZHNROBGCDGV-CMPLNLGQSA-N 1 3 244.329 2.106 10 0 BEAEHO FC1(F)CCC[C@H]2C[N@@H+](C3CCNCC3)C[C@@H]21 ZINC000409431489 343823704 /nfs/dbraw/zinc/82/37/04/343823704.db2.gz SMLZHNROBGCDGV-JQWIXIFHSA-N 1 3 244.329 2.106 10 0 BEAEHO FC1(F)CCC[C@H]2C[N@H+](C3CCNCC3)C[C@@H]21 ZINC000409431489 343823706 /nfs/dbraw/zinc/82/37/06/343823706.db2.gz SMLZHNROBGCDGV-JQWIXIFHSA-N 1 3 244.329 2.106 10 0 BEAEHO C1C[C@H]2C[C@@H](N[C@@H]3CCCSC3)CC[N@@H+]2C1 ZINC000128096046 192076001 /nfs/dbraw/zinc/07/60/01/192076001.db2.gz AXCTWBUTLBZZFT-XQQFMLRXSA-N 1 3 240.416 2.098 10 0 BEAEHO C1C[C@H]2C[C@@H](N[C@@H]3CCCSC3)CC[N@H+]2C1 ZINC000128096046 192076003 /nfs/dbraw/zinc/07/60/03/192076003.db2.gz AXCTWBUTLBZZFT-XQQFMLRXSA-N 1 3 240.416 2.098 10 0 BEAEHO COc1ccc(CN2C[C@H](C)[C@@H](C[NH3+])C2)cc1C ZINC000634998152 345197392 /nfs/dbraw/zinc/19/73/92/345197392.db2.gz BMDVDFQNAVSIOM-JSGCOSHPSA-N 1 3 248.370 2.030 10 0 BEAEHO C[C@H](C[N@@H+]1C[C@@H](C)[C@@H](CN)C1)c1ccccc1 ZINC000634998516 345198556 /nfs/dbraw/zinc/19/85/56/345198556.db2.gz GRUJHXNJCMVDAF-NFAWXSAZSA-N 1 3 232.371 2.317 10 0 BEAEHO C[C@H](C[N@H+]1C[C@@H](C)[C@@H](CN)C1)c1ccccc1 ZINC000634998516 345198558 /nfs/dbraw/zinc/19/85/58/345198558.db2.gz GRUJHXNJCMVDAF-NFAWXSAZSA-N 1 3 232.371 2.317 10 0 BEAEHO CCOc1ccc(CN2C[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000634999849 345201151 /nfs/dbraw/zinc/20/11/51/345201151.db2.gz AQURBSVDWVUSQA-OCCSQVGLSA-N 1 3 248.370 2.112 10 0 BEAEHO Cc1cccc(CN(C)C[C@H](C)C[NH3+])c1 ZINC000042435683 179065051 /nfs/dbraw/zinc/06/50/51/179065051.db2.gz BQCANXPJJFFOHJ-GFCCVEGCSA-N 1 3 206.333 2.022 10 0 BEAEHO Cc1ccccc1[C@H](C)[N@@H+]1CCC[C@H](N)C1 ZINC000041027775 179335503 /nfs/dbraw/zinc/33/55/03/179335503.db2.gz MXQPEBRPOJXIHA-STQMWFEESA-N 1 3 218.344 2.479 10 0 BEAEHO Cc1ccccc1[C@H](C)[N@H+]1CCC[C@H](N)C1 ZINC000041027775 179335505 /nfs/dbraw/zinc/33/55/05/179335505.db2.gz MXQPEBRPOJXIHA-STQMWFEESA-N 1 3 218.344 2.479 10 0 BEAEHO Cc1ccccc1[C@H](N)CC[NH+]1CCCC1 ZINC000054015480 179343955 /nfs/dbraw/zinc/34/39/55/179343955.db2.gz FZOSWAIUZUOZNA-CQSZACIVSA-N 1 3 218.344 2.481 10 0 BEAEHO Cc1ccccc1[C@H]([NH3+])CCN1CCCC1 ZINC000054015480 179343957 /nfs/dbraw/zinc/34/39/57/179343957.db2.gz FZOSWAIUZUOZNA-CQSZACIVSA-N 1 3 218.344 2.481 10 0 BEAEHO COc1ccccc1[C@H]1CCCC[N@H+](CCN)C1 ZINC000616603082 350789347 /nfs/dbraw/zinc/78/93/47/350789347.db2.gz ASHXIAXBERZYGY-ZDUSSCGKSA-N 1 3 248.370 2.223 10 0 BEAEHO COc1ccccc1[C@H]1CCCC[N@@H+](CCN)C1 ZINC000616603082 350789348 /nfs/dbraw/zinc/78/93/48/350789348.db2.gz ASHXIAXBERZYGY-ZDUSSCGKSA-N 1 3 248.370 2.223 10 0 BEAEHO CC[C@@H]1[C@@H]2C[NH2+]C[C@H]2CN1Cc1ccccc1 ZINC000251784276 350903219 /nfs/dbraw/zinc/90/32/19/350903219.db2.gz WZRSRFWWZLMNQM-RRFJBIMHSA-N 1 3 230.355 2.116 10 0 BEAEHO CCC1CCC([NH+]2CCC(N)CC2)CC1 ZINC000034958707 351361669 /nfs/dbraw/zinc/36/16/69/351361669.db2.gz RRRDEPWOHKUAFU-UHFFFAOYSA-N 1 3 210.365 2.378 10 0 BEAEHO CCC1CCC(N2CCC([NH3+])CC2)CC1 ZINC000034958707 351361675 /nfs/dbraw/zinc/36/16/75/351361675.db2.gz RRRDEPWOHKUAFU-UHFFFAOYSA-N 1 3 210.365 2.378 10 0 BEAEHO CC[C@H](C)C[NH2+][C@]12CCN[C@H]1CCCC2 ZINC000725272148 538103961 /nfs/dbraw/zinc/10/39/61/538103961.db2.gz MZGLISZHZVHNPD-RWMBFGLXSA-N 1 3 210.365 2.297 10 0 BEAEHO C[C@H]1C[NH2+]CC[C@H]1N(C)Cc1ccccc1 ZINC000307384497 352510938 /nfs/dbraw/zinc/51/09/38/352510938.db2.gz ITVSTUGUEOABOT-GXTWGEPZSA-N 1 3 218.344 2.116 10 0 BEAEHO C[C@H]1CNCC[C@H]1[N@H+](C)Cc1ccccc1 ZINC000307384497 352510940 /nfs/dbraw/zinc/51/09/40/352510940.db2.gz ITVSTUGUEOABOT-GXTWGEPZSA-N 1 3 218.344 2.116 10 0 BEAEHO C[C@H]1CNCC[C@H]1[N@@H+](C)Cc1ccccc1 ZINC000307384497 352510942 /nfs/dbraw/zinc/51/09/42/352510942.db2.gz ITVSTUGUEOABOT-GXTWGEPZSA-N 1 3 218.344 2.116 10 0 BEAEHO CC(C)Cc1ccc([C@H](C[NH3+])CN(C)C)cc1 ZINC000041264694 188293166 /nfs/dbraw/zinc/29/31/66/188293166.db2.gz JUSKFDLKYIJPON-OAHLLOKOSA-N 1 3 234.387 2.489 10 0 BEAEHO CC(C)Cc1ccc([C@H](CN)C[NH+](C)C)cc1 ZINC000041264694 188293167 /nfs/dbraw/zinc/29/31/67/188293167.db2.gz JUSKFDLKYIJPON-OAHLLOKOSA-N 1 3 234.387 2.489 10 0 BEAEHO C(NC1CC1)[C@H]1C[NH2+]C[C@@H]1C1CCCCC1 ZINC000675051647 538475278 /nfs/dbraw/zinc/47/52/78/538475278.db2.gz WEMYRRVHYCEVBU-TZMCWYRMSA-N 1 3 222.376 2.154 10 0 BEAEHO C[C@@H]1CC[NH2+]C[C@@H]1Nc1ccnc2ccccc21 ZINC000389740505 357023565 /nfs/dbraw/zinc/02/35/65/357023565.db2.gz YPTPNZDJIVLBDT-ABAIWWIYSA-N 1 3 241.338 2.067 10 0 BEAEHO C[C@@H]1CC[NH2+]C[C@H]1Nc1ccnc2ccccc21 ZINC000389740508 357023613 /nfs/dbraw/zinc/02/36/13/357023613.db2.gz YPTPNZDJIVLBDT-IAQYHMDHSA-N 1 3 241.338 2.067 10 0 BEAEHO C[C@H]([NH2+][C@H]1CC=CCC1)[C@@H]1CCCNC1 ZINC000582540709 357338303 /nfs/dbraw/zinc/33/83/03/357338303.db2.gz WVTAZOXEQXNWFF-XQQFMLRXSA-N 1 3 208.349 2.073 10 0 BEAEHO CCC1CC[NH+]([C@H]2[C@H](C)CNC[C@@H]2C)CC1 ZINC000685950568 538894032 /nfs/dbraw/zinc/89/40/32/538894032.db2.gz BFSFYMSQRNZHGV-IMRBUKKESA-N 1 3 224.392 2.352 10 0 BEAEHO C[C@@H]1CNC[C@H](C)[C@H]1[N@@H+]1CCCC[C@@H]1C ZINC000685951049 538894294 /nfs/dbraw/zinc/89/42/94/538894294.db2.gz MIQVNLQGAQUFAL-QNWHQSFQSA-N 1 3 210.365 2.105 10 0 BEAEHO C[C@@H]1CNC[C@H](C)[C@H]1[N@H+]1CCCC[C@@H]1C ZINC000685951049 538894295 /nfs/dbraw/zinc/89/42/95/538894295.db2.gz MIQVNLQGAQUFAL-QNWHQSFQSA-N 1 3 210.365 2.105 10 0 BEAEHO CC[C@@H]1CCC[N@@H+]([C@H]2[C@H](C)CNC[C@@H]2C)C1 ZINC000685950846 538894300 /nfs/dbraw/zinc/89/43/00/538894300.db2.gz FETHWMACROPDLE-RQJABVFESA-N 1 3 224.392 2.352 10 0 BEAEHO CC[C@@H]1CCC[N@H+]([C@H]2[C@H](C)CNC[C@@H]2C)C1 ZINC000685950846 538894301 /nfs/dbraw/zinc/89/43/01/538894301.db2.gz FETHWMACROPDLE-RQJABVFESA-N 1 3 224.392 2.352 10 0 BEAEHO CCC[C@@H](C)C[N@@H+]1C[C@@H]2CCCN[C@@H]2C1 ZINC000132506765 325222215 /nfs/dbraw/zinc/22/22/15/325222215.db2.gz XXZBUSFFINEQTL-FRRDWIJNSA-N 1 3 210.365 2.106 10 0 BEAEHO CCC[C@@H](C)C[N@H+]1C[C@@H]2CCCN[C@@H]2C1 ZINC000132506765 325222217 /nfs/dbraw/zinc/22/22/17/325222217.db2.gz XXZBUSFFINEQTL-FRRDWIJNSA-N 1 3 210.365 2.106 10 0 BEAEHO CCc1ccc(CNCC[C@H](C)[NH3+])s1 ZINC000225377495 358240074 /nfs/dbraw/zinc/24/00/74/358240074.db2.gz OYHAMEQEABNTPD-VIFPVBQESA-N 1 3 212.362 2.137 10 0 BEAEHO CCc1ccc(CNCC[C@@H](C)[NH3+])s1 ZINC000225377461 358240391 /nfs/dbraw/zinc/24/03/91/358240391.db2.gz OYHAMEQEABNTPD-SECBINFHSA-N 1 3 212.362 2.137 10 0 BEAEHO CC[C@H]1CC[C@H](CC[N@H+](C)CC)N(C)C1 ZINC000584627575 358297027 /nfs/dbraw/zinc/29/70/27/358297027.db2.gz XWUGWNNMONIIBW-QWHCGFSZSA-N 1 3 212.381 2.449 10 0 BEAEHO CC[C@H]1CC[C@H](CC[N@@H+](C)CC)N(C)C1 ZINC000584627575 358297030 /nfs/dbraw/zinc/29/70/30/358297030.db2.gz XWUGWNNMONIIBW-QWHCGFSZSA-N 1 3 212.381 2.449 10 0 BEAEHO C[C@H](NCC[C@@H]1CCCC[N@@H+]1C)[C@H]1CCCO1 ZINC000052205537 358776468 /nfs/dbraw/zinc/77/64/68/358776468.db2.gz YDIKTWLMHKGHRG-MELADBBJSA-N 1 3 240.391 2.018 10 0 BEAEHO C[C@H](NCC[C@@H]1CCCC[N@H+]1C)[C@H]1CCCO1 ZINC000052205537 358776469 /nfs/dbraw/zinc/77/64/69/358776469.db2.gz YDIKTWLMHKGHRG-MELADBBJSA-N 1 3 240.391 2.018 10 0 BEAEHO NC[C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000306287050 359518466 /nfs/dbraw/zinc/51/84/66/359518466.db2.gz ZCCZVFYYURWFIW-HUUCEWRRSA-N 1 3 230.355 2.247 10 0 BEAEHO NC[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000306287050 359518472 /nfs/dbraw/zinc/51/84/72/359518472.db2.gz ZCCZVFYYURWFIW-HUUCEWRRSA-N 1 3 230.355 2.247 10 0 BEAEHO CC[C@H](CSC)[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000578518558 366587925 /nfs/dbraw/zinc/58/79/25/366587925.db2.gz UWEIJYYJOUKYGD-IJLUTSLNSA-N 1 3 230.421 2.106 10 0 BEAEHO CN1CCC[C@@H]2C[N@H+](CC(C)(C)C)CC[C@@H]21 ZINC000092043326 360147866 /nfs/dbraw/zinc/14/78/66/360147866.db2.gz NMUUSSWUGRSSTO-OLZOCXBDSA-N 1 3 224.392 2.449 10 0 BEAEHO CN1CCC[C@@H]2C[N@@H+](CC(C)(C)C)CC[C@@H]21 ZINC000092043326 360147871 /nfs/dbraw/zinc/14/78/71/360147871.db2.gz NMUUSSWUGRSSTO-OLZOCXBDSA-N 1 3 224.392 2.449 10 0 BEAEHO C[C@@H]([NH2+]CC1CC(C)C1)[C@H]1CCCNC1 ZINC000622044513 370676868 /nfs/dbraw/zinc/67/68/68/370676868.db2.gz IWBTWSACQVMNDR-KPFVRQRISA-N 1 3 210.365 2.010 10 0 BEAEHO CO[C@@H]1CN(CCC2CCCC2)[C@](C)(C[NH3+])C1 ZINC000630363757 364080684 /nfs/dbraw/zinc/08/06/84/364080684.db2.gz ZIOILAOVMCNSPB-KBPBESRZSA-N 1 3 240.391 2.005 10 0 BEAEHO CO[C@H]1CN(CCC2CCCC2)[C@@](C)(C[NH3+])C1 ZINC000630363760 364081321 /nfs/dbraw/zinc/08/13/21/364081321.db2.gz ZIOILAOVMCNSPB-ZIAGYGMSSA-N 1 3 240.391 2.005 10 0 BEAEHO [NH3+]CC1(CN2CCCSCC2)CCCCC1 ZINC000051284179 181358718 /nfs/dbraw/zinc/35/87/18/181358718.db2.gz ZKDWMIGKWNDQJA-UHFFFAOYSA-N 1 3 242.432 2.335 10 0 BEAEHO NCC1([C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000083328854 181361350 /nfs/dbraw/zinc/36/13/50/181361350.db2.gz YOKRXLVIVZAHGM-CQSZACIVSA-N 1 3 230.355 2.390 10 0 BEAEHO NCC1([C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000083328854 181361353 /nfs/dbraw/zinc/36/13/53/181361353.db2.gz YOKRXLVIVZAHGM-CQSZACIVSA-N 1 3 230.355 2.390 10 0 BEAEHO C[C@@H](NCCOc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000574308205 365032954 /nfs/dbraw/zinc/03/29/54/365032954.db2.gz SGGKFFULWKQPAG-KGLIPLIRSA-N 1 3 248.370 2.043 10 0 BEAEHO CCCCOCCC[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000574683570 365118485 /nfs/dbraw/zinc/11/84/85/365118485.db2.gz SCUSIQYLQQJZBH-KGLIPLIRSA-N 1 3 242.407 2.171 10 0 BEAEHO CC(C)OCCCC[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000575172841 365227308 /nfs/dbraw/zinc/22/73/08/365227308.db2.gz LPQZRSNQVUXYGO-UONOGXRCSA-N 1 3 242.407 2.169 10 0 BEAEHO C[C@@H]([NH2+]CCCC(C)(F)F)[C@H]1CCCNC1 ZINC000581364059 367393966 /nfs/dbraw/zinc/39/39/66/367393966.db2.gz PGKAJYMAMRCLAA-MNOVXSKESA-N 1 3 234.334 2.400 10 0 BEAEHO C[C@H]([NH2+]C[C@H]1CCCCS1)[C@H]1CCCNC1 ZINC000566090832 325992768 /nfs/dbraw/zinc/99/27/68/325992768.db2.gz DIBQBMRSTNZAHA-RWMBFGLXSA-N 1 3 242.432 2.250 10 0 BEAEHO CCc1ccc(CN2C[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000631837394 369093783 /nfs/dbraw/zinc/09/37/83/369093783.db2.gz RZXVYIYBLMLVIM-WFASDCNBSA-N 1 3 232.371 2.276 10 0 BEAEHO CCc1ccc(C[N@@H+]2C[C@H](C)[C@@H](CN)C2)cc1 ZINC000631837394 369093786 /nfs/dbraw/zinc/09/37/86/369093786.db2.gz RZXVYIYBLMLVIM-WFASDCNBSA-N 1 3 232.371 2.276 10 0 BEAEHO CCc1ccc(C[N@H+]2C[C@H](C)[C@@H](CN)C2)cc1 ZINC000631837394 369093788 /nfs/dbraw/zinc/09/37/88/369093788.db2.gz RZXVYIYBLMLVIM-WFASDCNBSA-N 1 3 232.371 2.276 10 0 BEAEHO C[C@@H]([NH2+]CCCC(F)(F)F)[C@H]1CCCNC1 ZINC000567645829 326238050 /nfs/dbraw/zinc/23/80/50/326238050.db2.gz AUCGHNNWGBKXIZ-ZJUUUORDSA-N 1 3 238.297 2.307 10 0 BEAEHO N[C@@H]1CCCC[C@@H]1[NH+]1Cc2ccccc2C1 ZINC000050910941 181573082 /nfs/dbraw/zinc/57/30/82/181573082.db2.gz NOGOXXJPGYALOO-KGLIPLIRSA-N 1 3 216.328 2.272 10 0 BEAEHO C[C@H]1C[N@H+](CCCC(C)(C)C)C[C@H]1CN ZINC000631837829 372630192 /nfs/dbraw/zinc/63/01/92/372630192.db2.gz FYGCXUVPJRURON-NWDGAFQWSA-N 1 3 212.381 2.339 10 0 BEAEHO C[C@H]1C[N@@H+](CCCC(C)(C)C)C[C@H]1CN ZINC000631837829 372630194 /nfs/dbraw/zinc/63/01/94/372630194.db2.gz FYGCXUVPJRURON-NWDGAFQWSA-N 1 3 212.381 2.339 10 0 BEAEHO CC(C)C[C@H](C)C[N@@H+]1C[C@@H](C)[C@@H](CN)C1 ZINC000631838932 372633703 /nfs/dbraw/zinc/63/37/03/372633703.db2.gz XFNPIURGBFOAOT-XQQFMLRXSA-N 1 3 212.381 2.195 10 0 BEAEHO CC(C)C[C@H](C)C[N@H+]1C[C@@H](C)[C@@H](CN)C1 ZINC000631838932 372633710 /nfs/dbraw/zinc/63/37/10/372633710.db2.gz XFNPIURGBFOAOT-XQQFMLRXSA-N 1 3 212.381 2.195 10 0 BEAEHO Cc1cccc(CN2C[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000631843881 372640202 /nfs/dbraw/zinc/64/02/02/372640202.db2.gz STYARPQHRUTRHL-JSGCOSHPSA-N 1 3 218.344 2.022 10 0 BEAEHO Cc1cccc(C[N@H+]2C[C@H](C)[C@@H](CN)C2)c1 ZINC000631843881 372640206 /nfs/dbraw/zinc/64/02/06/372640206.db2.gz STYARPQHRUTRHL-JSGCOSHPSA-N 1 3 218.344 2.022 10 0 BEAEHO Cc1cccc(C[N@@H+]2C[C@H](C)[C@@H](CN)C2)c1 ZINC000631843881 372640217 /nfs/dbraw/zinc/64/02/17/372640217.db2.gz STYARPQHRUTRHL-JSGCOSHPSA-N 1 3 218.344 2.022 10 0 BEAEHO CC[C@H](C)[C@H](N)C[NH2+]Cc1ccccc1 ZINC000040409699 373241496 /nfs/dbraw/zinc/24/14/96/373241496.db2.gz PPGAIVBQDXBIEF-WCQYABFASA-N 1 3 206.333 2.150 10 0 BEAEHO CCCC[C@H](C[NH3+])N(CCOC)[C@@H](C)C1CC1 ZINC000042615268 169002598 /nfs/dbraw/zinc/00/25/98/169002598.db2.gz ZTEVQJNQPCHGCV-GXTWGEPZSA-N 1 3 242.407 2.251 10 0 BEAEHO CCC[NH2+]CCCCCN1CCO[C@@H](CC)C1 ZINC000052477295 169256999 /nfs/dbraw/zinc/25/69/99/169256999.db2.gz XCNAEOWFPHCINA-AWEZNQCLSA-N 1 3 242.407 2.267 10 0 BEAEHO c1ccc(CN2CCC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000076677789 183397976 /nfs/dbraw/zinc/39/79/76/183397976.db2.gz BUXOLSLXVAQEEE-HUUCEWRRSA-N 1 3 230.355 2.261 10 0 BEAEHO CCC[NH2+][C@H]1CCN(C2CCOCC2)[C@H](C)C1 ZINC000049711435 169291344 /nfs/dbraw/zinc/29/13/44/169291344.db2.gz YWXVNLIRQVIMCJ-OLZOCXBDSA-N 1 3 240.391 2.018 10 0 BEAEHO Cc1ccc2nccc(N3CCC[NH2+]CC3)c2c1 ZINC000073738617 384022415 /nfs/dbraw/zinc/02/24/15/384022415.db2.gz HTGZHTBBGIJMRW-UHFFFAOYSA-N 1 3 241.338 2.343 10 0 BEAEHO [NH3+]C[C@H]1CC[C@@H](Nc2ccnc3ccccc32)C1 ZINC000335581073 384343515 /nfs/dbraw/zinc/34/35/15/384343515.db2.gz MQDWTFHPOPOASL-NWDGAFQWSA-N 1 3 241.338 2.196 10 0 BEAEHO CCC(CC)(CC)CNC[C@H](C)[NH2+]C ZINC000391342851 384409855 /nfs/dbraw/zinc/40/98/55/384409855.db2.gz SGOSNXFRHYYCPU-NSHDSACASA-N 1 3 200.370 2.400 10 0 BEAEHO C[C@H](N[C@H]1CC[C@H]([NH3+])CC1)c1ccco1 ZINC000100256562 384628339 /nfs/dbraw/zinc/62/83/39/384628339.db2.gz ATRGEZAPTSAXQR-GARJFASQSA-N 1 3 208.305 2.200 10 0 BEAEHO CN1C=C[C@H](C[NH3+])C=C1Cc1ccccc1 ZINC000100271505 384630683 /nfs/dbraw/zinc/63/06/83/384630683.db2.gz SZRAFFVEQWNMNY-ZDUSSCGKSA-N 1 3 214.312 2.147 10 0 BEAEHO [NH3+]Cc1cccc(OCCN2CCCCC2)c1 ZINC000011961750 384735274 /nfs/dbraw/zinc/73/52/74/384735274.db2.gz VJMGMPCAXQJWNW-UHFFFAOYSA-N 1 3 234.343 2.010 10 0 BEAEHO CC(C)CC(C)(C)C[NH2+]C1CCNCC1 ZINC000258979267 384955263 /nfs/dbraw/zinc/95/52/63/384955263.db2.gz LXPFACHKIQGGJS-UHFFFAOYSA-N 1 3 212.381 2.400 10 0 BEAEHO C[C@H]([NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1)[C@@H]1CCCNC1 ZINC000647804254 385841500 /nfs/dbraw/zinc/84/15/00/385841500.db2.gz MRMNKIYOVUGXQB-RYMFRWLXSA-N 1 3 222.376 2.153 10 0 BEAEHO CC(C)CCN(C[C@]1(C)CC[NH2+]C1)C1CC1 ZINC000112530908 385845384 /nfs/dbraw/zinc/84/53/84/385845384.db2.gz KCPMZTNSVSAICQ-CQSZACIVSA-N 1 3 224.392 2.497 10 0 BEAEHO CC(C)(N)C[NH+]1CCC(C(C)(C)C)CC1 ZINC000050348998 386671473 /nfs/dbraw/zinc/67/14/73/386671473.db2.gz SLSIDJOJAZLOPO-UHFFFAOYSA-N 1 3 212.381 2.482 10 0 BEAEHO CCCC[C@H](C)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414826616 386686537 /nfs/dbraw/zinc/68/65/37/386686537.db2.gz JHJLLRZHEKRCCQ-ACJTYDJDSA-N 1 3 210.365 2.438 10 0 BEAEHO CC(C)C[C@@H]1C[C@H]1[NH2+][C@@H]1CCCNCC1 ZINC000395355304 386821534 /nfs/dbraw/zinc/82/15/34/386821534.db2.gz USJJKGZHSSHHDU-JHJVBQTASA-N 1 3 210.365 2.153 10 0 BEAEHO CC(C)C[C@@H]1C[C@H]1N[C@@H]1CCC[NH2+]CC1 ZINC000395355304 386821539 /nfs/dbraw/zinc/82/15/39/386821539.db2.gz USJJKGZHSSHHDU-JHJVBQTASA-N 1 3 210.365 2.153 10 0 BEAEHO Cc1ccc([C@H](N)CC[NH3+])cc1Br ZINC000575439420 387124571 /nfs/dbraw/zinc/12/45/71/387124571.db2.gz JVAVVEUUQWPYEB-SNVBAGLBSA-N 1 3 243.148 2.106 10 0 BEAEHO N[C@H](CCC[NH3+])c1cccc(Cl)c1F ZINC000575439850 387125313 /nfs/dbraw/zinc/12/53/13/387125313.db2.gz YTTFKXKWJULURW-SECBINFHSA-N 1 3 216.687 2.218 10 0 BEAEHO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CC1CNC1 ZINC000423302181 387134662 /nfs/dbraw/zinc/13/46/62/387134662.db2.gz JEJYIQVZLPFBOE-KWCYVHTRSA-N 1 3 224.392 2.256 10 0 BEAEHO C[C@H]([NH2+]C[C@H]1Cc2ccccc21)[C@@H]1CCCNC1 ZINC000643453663 387370426 /nfs/dbraw/zinc/37/04/26/387370426.db2.gz QBXJJJVHKCSINS-NWANDNLSSA-N 1 3 244.382 2.304 10 0 BEAEHO C[C@H](C[NH2+][C@@H](C)[C@H]1CCCNC1)C1CC1 ZINC000643468320 387418611 /nfs/dbraw/zinc/41/86/11/387418611.db2.gz QBALEEIXAUISHF-MDZLAQPJSA-N 1 3 210.365 2.010 10 0 BEAEHO CC[C@H]([NH2+][C@@H](C)[C@H]1CCCNC1)C(C)C ZINC000643468258 387419502 /nfs/dbraw/zinc/41/95/02/387419502.db2.gz AZPXXAVLQURTEW-AVGNSLFASA-N 1 3 212.381 2.399 10 0 BEAEHO C[C@H](Cc1cccs1)N[C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400709929 387565036 /nfs/dbraw/zinc/56/50/36/387565036.db2.gz LWYNZBCPMQRCCK-WOPDTQHZSA-N 1 3 238.400 2.267 10 0 BEAEHO C[C@@H](NCCC(C)(F)F)[C@@H]1CCC[NH2+]C1 ZINC000643491394 387665639 /nfs/dbraw/zinc/66/56/39/387665639.db2.gz IFZHQBOGAVOCSK-NXEZZACHSA-N 1 3 220.307 2.009 10 0 BEAEHO C[C@@H]([NH2+]CCC(C)(F)F)[C@@H]1CCCNC1 ZINC000643491394 387665646 /nfs/dbraw/zinc/66/56/46/387665646.db2.gz IFZHQBOGAVOCSK-NXEZZACHSA-N 1 3 220.307 2.009 10 0 BEAEHO C[C@@H](CN[C@@H]1CCC[NH2+]CC1)Oc1ccccc1 ZINC000422978075 387789596 /nfs/dbraw/zinc/78/95/96/387789596.db2.gz GTUZOBMPPPXSQV-UONOGXRCSA-N 1 3 248.370 2.186 10 0 BEAEHO C[C@H](CN[C@@H]1CCC[NH2+]CC1)Oc1ccccc1 ZINC000422978076 387790108 /nfs/dbraw/zinc/79/01/08/387790108.db2.gz GTUZOBMPPPXSQV-ZIAGYGMSSA-N 1 3 248.370 2.186 10 0 BEAEHO C[C@H](N[C@@H]1CCCC(F)(F)C1)[C@H]1CC[NH2+]C1 ZINC000422986870 387795522 /nfs/dbraw/zinc/79/55/22/387795522.db2.gz DNMLHUYUVHPUKP-GARJFASQSA-N 1 3 232.318 2.152 10 0 BEAEHO C[C@@H](CC1CCCCC1)[NH2+][C@@H]1CCNC1 ZINC000423090748 387882838 /nfs/dbraw/zinc/88/28/38/387882838.db2.gz WAQKPITYUPOCQI-WCQYABFASA-N 1 3 210.365 2.297 10 0 BEAEHO Cc1cccnc1CCC[NH2+][C@H]1CCCNCC1 ZINC000423149711 387928332 /nfs/dbraw/zinc/92/83/32/387928332.db2.gz HRRCOUFHJDOGJQ-AWEZNQCLSA-N 1 3 247.386 2.054 10 0 BEAEHO Cc1cccnc1CCCN[C@H]1CCC[NH2+]CC1 ZINC000423149711 387928334 /nfs/dbraw/zinc/92/83/34/387928334.db2.gz HRRCOUFHJDOGJQ-AWEZNQCLSA-N 1 3 247.386 2.054 10 0 BEAEHO CC(C)(C)CCN1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261534369 135167332 /nfs/dbraw/zinc/16/73/32/135167332.db2.gz MCTDZFXENUJIFH-LLVKDONJSA-N 1 3 212.381 2.482 10 0 BEAEHO CCC[C@@H]1C[C@H]1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000393943845 388447126 /nfs/dbraw/zinc/44/71/26/388447126.db2.gz CKUZDPSZJNLYIS-XJFOESAGSA-N 1 3 222.376 2.391 10 0 BEAEHO CCC[C@@H]1C[C@H]1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000393943845 388447129 /nfs/dbraw/zinc/44/71/29/388447129.db2.gz CKUZDPSZJNLYIS-XJFOESAGSA-N 1 3 222.376 2.391 10 0 BEAEHO CC(C)C[C@@H](C)[NH2+]C[C@H](C)CN(C)C ZINC000336683438 388461505 /nfs/dbraw/zinc/46/15/05/388461505.db2.gz IVPOSSPCLJGCPM-NWDGAFQWSA-N 1 3 200.370 2.208 10 0 BEAEHO C[C@H]([NH2+][C@@H]1CCC[C@H]1CN)[C@H]1CC1(C)C ZINC000397606929 388483287 /nfs/dbraw/zinc/48/32/87/388483287.db2.gz ALFFDRXXRKHJGE-NNYUYHANSA-N 1 3 210.365 2.138 10 0 BEAEHO CC(C)N1CCN(c2ccccc2[C@H](C)[NH3+])CC1 ZINC000036190048 132340808 /nfs/dbraw/zinc/34/08/08/132340808.db2.gz XOSUZPMBHCXDRV-ZDUSSCGKSA-N 1 3 247.386 2.237 10 0 BEAEHO CC1(CN2CC[C@H]([NH3+])C(C)(C)C2)CCC1 ZINC000261530836 135159404 /nfs/dbraw/zinc/15/94/04/135159404.db2.gz DGQDOQFWEMIUGA-NSHDSACASA-N 1 3 210.365 2.236 10 0 BEAEHO C[C@H]([NH2+]CCCC1CC1)[C@@H]1CCCNC1 ZINC000564826237 398045545 /nfs/dbraw/zinc/04/55/45/398045545.db2.gz HPDUFYKOJLAGFN-WCQYABFASA-N 1 3 210.365 2.154 10 0 BEAEHO CC(C)[NH2+]CC1(CN(C)C(C)C)CCOCC1 ZINC000052180880 167099250 /nfs/dbraw/zinc/09/92/50/167099250.db2.gz DUUSFXRPCFBBCO-UHFFFAOYSA-N 1 3 242.407 2.121 10 0 BEAEHO CCN(CCC[NH3+])Cc1ccc(C)cc1 ZINC000036731800 487568146 /nfs/dbraw/zinc/56/81/46/487568146.db2.gz KVZFSVVKBHMLED-UHFFFAOYSA-N 1 3 206.333 2.166 10 0 BEAEHO C[C@H]([NH3+])[C@H]1CCN(C[C@H]2CCCCC2(F)F)C1 ZINC000394486494 410795788 /nfs/dbraw/zinc/79/57/88/410795788.db2.gz HSMDQQVNBRFMAU-SDDRHHMPSA-N 1 3 246.345 2.481 10 0 BEAEHO CCN(CC[NH3+])c1cc(C)nc2ccccc21 ZINC000104324362 410932004 /nfs/dbraw/zinc/93/20/04/410932004.db2.gz UTURVRWLWVHJMK-UHFFFAOYSA-N 1 3 229.327 2.328 10 0 BEAEHO c1ccc2c(c1)C[C@@H]2C[NH2+][C@H]1CCCNCC1 ZINC000129115288 411229870 /nfs/dbraw/zinc/22/98/70/411229870.db2.gz NEOXQYHWGPUPDI-KGLIPLIRSA-N 1 3 230.355 2.058 10 0 BEAEHO c1ccc2c(c1)C[C@@H]2CN[C@H]1CCC[NH2+]CC1 ZINC000129115288 411229877 /nfs/dbraw/zinc/22/98/77/411229877.db2.gz NEOXQYHWGPUPDI-KGLIPLIRSA-N 1 3 230.355 2.058 10 0 BEAEHO CC1CC[NH+](CCNc2ccncc2)CC1 ZINC000040772428 168181180 /nfs/dbraw/zinc/18/11/80/168181180.db2.gz GEOMYNCAEHNJOG-UHFFFAOYSA-N 1 3 219.332 2.225 10 0 BEAEHO CC1CC[NH+](C[C@@H]2C[C@@H](C)CC[C@@H]2N)CC1 ZINC000053860890 168182930 /nfs/dbraw/zinc/18/29/30/168182930.db2.gz JTFYLZMGHNQAOL-IHRRRGAJSA-N 1 3 224.392 2.482 10 0 BEAEHO CC1CC[NH+](C[C@H]2CCCC[C@H]2N)CC1 ZINC000058081664 168183234 /nfs/dbraw/zinc/18/32/34/168183234.db2.gz VEBBQEWMYSTPOY-CHWSQXEVSA-N 1 3 210.365 2.236 10 0 BEAEHO CC1CCN(Cc2ccc(C(N)=[NH2+])cc2F)CC1 ZINC000019473701 168183873 /nfs/dbraw/zinc/18/38/73/168183873.db2.gz WYDFRISCPQWGNE-UHFFFAOYSA-N 1 3 249.333 2.342 10 0 BEAEHO CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(C)C ZINC000054603346 170109952 /nfs/dbraw/zinc/10/99/52/170109952.db2.gz JTPUBAIGJQSJOK-YHWZYXNKSA-N 1 3 210.365 2.247 10 0 BEAEHO CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(C)C ZINC000054603346 170109954 /nfs/dbraw/zinc/10/99/54/170109954.db2.gz JTPUBAIGJQSJOK-YHWZYXNKSA-N 1 3 210.365 2.247 10 0 BEAEHO CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(C)C ZINC000054603346 170109955 /nfs/dbraw/zinc/10/99/55/170109955.db2.gz JTPUBAIGJQSJOK-YHWZYXNKSA-N 1 3 210.365 2.247 10 0 BEAEHO CC[NH2+]CCC[C@H](C)N(C)Cc1ccncc1 ZINC000052480981 170112289 /nfs/dbraw/zinc/11/22/89/170112289.db2.gz OVNPALFRGOAMNO-ZDUSSCGKSA-N 1 3 235.375 2.292 10 0 BEAEHO CC[NH2+]C[C@@]1(CN(C)[C@@H](C)CC)CCCOC1 ZINC000104308984 170121358 /nfs/dbraw/zinc/12/13/58/170121358.db2.gz YHNMUBVRELQJDM-UONOGXRCSA-N 1 3 242.407 2.123 10 0 BEAEHO CCNC[C@@]1(C[N@H+](C)[C@@H](C)CC)CCCOC1 ZINC000104308984 170121359 /nfs/dbraw/zinc/12/13/59/170121359.db2.gz YHNMUBVRELQJDM-UONOGXRCSA-N 1 3 242.407 2.123 10 0 BEAEHO CCNC[C@@]1(C[N@@H+](C)[C@@H](C)CC)CCCOC1 ZINC000104308984 170121361 /nfs/dbraw/zinc/12/13/61/170121361.db2.gz YHNMUBVRELQJDM-UONOGXRCSA-N 1 3 242.407 2.123 10 0 BEAEHO CC[NH2+][C@@H]1CCC[C@H]1CN(CC)[C@@H](C)COC ZINC000053871460 170151175 /nfs/dbraw/zinc/15/11/75/170151175.db2.gz GZCNVJYWNPIWAY-MELADBBJSA-N 1 3 242.407 2.121 10 0 BEAEHO CC[C@@H]1CC[N@@H+]([C@@H](C)C2CC2)CCCN1 ZINC000049666149 171013737 /nfs/dbraw/zinc/01/37/37/171013737.db2.gz FCQAEOGNTNKZPD-WCQYABFASA-N 1 3 210.365 2.249 10 0 BEAEHO CC[C@@H]1CC[N@H+]([C@@H](C)C2CC2)CCCN1 ZINC000049666149 171013741 /nfs/dbraw/zinc/01/37/41/171013741.db2.gz FCQAEOGNTNKZPD-WCQYABFASA-N 1 3 210.365 2.249 10 0 BEAEHO CC[C@@H]1CCN([C@@H]2CC2(C)C)CCC[NH2+]1 ZINC000045136716 171014259 /nfs/dbraw/zinc/01/42/59/171014259.db2.gz XQFGSEPKOYRCAF-VXGBXAGGSA-N 1 3 210.365 2.249 10 0 BEAEHO CC[C@@H]1CO[C@@H](C)CN1[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000036128004 171110427 /nfs/dbraw/zinc/11/04/27/171110427.db2.gz FEAZIDNFVDVTPC-REWJHTLYSA-N 1 3 240.391 2.003 10 0 BEAEHO CC[C@@](C)(C[NH2+]C1CC1)CN(C)CCCOC ZINC000062035353 171166615 /nfs/dbraw/zinc/16/66/15/171166615.db2.gz WWNXBIZGSCIBHQ-AWEZNQCLSA-N 1 3 242.407 2.123 10 0 BEAEHO CC[C@@](C)(CNC1CC1)C[N@H+](C)CCCOC ZINC000062035353 171166616 /nfs/dbraw/zinc/16/66/16/171166616.db2.gz WWNXBIZGSCIBHQ-AWEZNQCLSA-N 1 3 242.407 2.123 10 0 BEAEHO CC[C@@](C)(CNC1CC1)C[N@@H+](C)CCCOC ZINC000062035353 171166617 /nfs/dbraw/zinc/16/66/17/171166617.db2.gz WWNXBIZGSCIBHQ-AWEZNQCLSA-N 1 3 242.407 2.123 10 0 BEAEHO CC[C@@]1(C[NH+]2CCCCC2)CCCNC1 ZINC000062861783 171210267 /nfs/dbraw/zinc/21/02/67/171210267.db2.gz QILZTQCJZGTQSZ-CYBMUJFWSA-N 1 3 210.365 2.252 10 0 BEAEHO CC[C@@]1(CN2CCCCC2)CCC[NH2+]C1 ZINC000062861783 171210269 /nfs/dbraw/zinc/21/02/69/171210269.db2.gz QILZTQCJZGTQSZ-CYBMUJFWSA-N 1 3 210.365 2.252 10 0 BEAEHO CC[C@H](C)N(CCOC)[C@@H]1C[C@H](C)CC[C@@H]1[NH3+] ZINC000042581336 171315904 /nfs/dbraw/zinc/31/59/04/171315904.db2.gz FIBZVIGROUGGQK-ZOBORPQBSA-N 1 3 242.407 2.249 10 0 BEAEHO C[C@H]([NH2+]C[C@]1(C)CC1(F)F)[C@H]1CCCNC1 ZINC000665265671 412208915 /nfs/dbraw/zinc/20/89/15/412208915.db2.gz ZAXVZOXMGIZBLA-DCAQKATOSA-N 1 3 232.318 2.009 10 0 BEAEHO C[C@H](NC[C@]1(C)CC1(F)F)[C@H]1CCC[NH2+]C1 ZINC000665265671 412208918 /nfs/dbraw/zinc/20/89/18/412208918.db2.gz ZAXVZOXMGIZBLA-DCAQKATOSA-N 1 3 232.318 2.009 10 0 BEAEHO C[C@@H](NCC1=CCCC1)[C@H]1CCC[NH2+]C1 ZINC000665274538 412217340 /nfs/dbraw/zinc/21/73/40/412217340.db2.gz SDQKOSVGJNMSPO-YPMHNXCESA-N 1 3 208.349 2.074 10 0 BEAEHO C1CC(C2CCC([NH2+][C@@H]3CCNC3)CC2)C1 ZINC000665284009 412229557 /nfs/dbraw/zinc/22/95/57/412229557.db2.gz YTFYMMVLHIJCHG-JXQTWKCFSA-N 1 3 222.376 2.297 10 0 BEAEHO CN1CCCC[C@@H]1COc1ccccc1C[NH3+] ZINC000020352413 173008539 /nfs/dbraw/zinc/00/85/39/173008539.db2.gz RSKIKWUPLONSHA-CYBMUJFWSA-N 1 3 234.343 2.008 10 0 BEAEHO C[N@@H+]1CCCC[C@@H]1COc1ccccc1CN ZINC000020352413 173008541 /nfs/dbraw/zinc/00/85/41/173008541.db2.gz RSKIKWUPLONSHA-CYBMUJFWSA-N 1 3 234.343 2.008 10 0 BEAEHO C[N@H+]1CCCC[C@@H]1COc1ccccc1CN ZINC000020352413 173008543 /nfs/dbraw/zinc/00/85/43/173008543.db2.gz RSKIKWUPLONSHA-CYBMUJFWSA-N 1 3 234.343 2.008 10 0 BEAEHO CN(C)[C@@H]1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000039109998 173117017 /nfs/dbraw/zinc/11/70/17/173117017.db2.gz DUXQDTZEIPNHRZ-UONOGXRCSA-N 1 3 218.344 2.036 10 0 BEAEHO CN(C)[C@@H]1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000039109998 173117019 /nfs/dbraw/zinc/11/70/19/173117019.db2.gz DUXQDTZEIPNHRZ-UONOGXRCSA-N 1 3 218.344 2.036 10 0 BEAEHO CN1CC[C@H](C[NH2+]Cc2ccc(Cl)s2)C1 ZINC000037484772 173146594 /nfs/dbraw/zinc/14/65/94/173146594.db2.gz PQPSGOKKSTUZJN-SECBINFHSA-N 1 3 244.791 2.443 10 0 BEAEHO C[NH2+]C1CCN(C[C@@H]2CC=CCC2)CC1 ZINC000045630714 173323212 /nfs/dbraw/zinc/32/32/12/173323212.db2.gz XLDLUWVYKDDWDR-GFCCVEGCSA-N 1 3 208.349 2.027 10 0 BEAEHO CNC1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000045630714 173323213 /nfs/dbraw/zinc/32/32/13/173323213.db2.gz XLDLUWVYKDDWDR-GFCCVEGCSA-N 1 3 208.349 2.027 10 0 BEAEHO CNCC1(C[N@@H+]2CCC[C@H](C)C2)CCCC1 ZINC000051210083 173337373 /nfs/dbraw/zinc/33/73/73/173337373.db2.gz RCLDDIRUIVPPNL-ZDUSSCGKSA-N 1 3 224.392 2.498 10 0 BEAEHO CNCC1(C[N@H+]2CCC[C@H](C)C2)CCCC1 ZINC000051210083 173337375 /nfs/dbraw/zinc/33/73/75/173337375.db2.gz RCLDDIRUIVPPNL-ZDUSSCGKSA-N 1 3 224.392 2.498 10 0 BEAEHO CNCC1(C[NH+]2CCC(C)CC2)CCCC1 ZINC000051207800 173338046 /nfs/dbraw/zinc/33/80/46/173338046.db2.gz XJABEEXXUXMRIH-UHFFFAOYSA-N 1 3 224.392 2.498 10 0 BEAEHO C[NH2+]CC1(CN2CCC(C)CC2)CCCC1 ZINC000051207800 173338048 /nfs/dbraw/zinc/33/80/48/173338048.db2.gz XJABEEXXUXMRIH-UHFFFAOYSA-N 1 3 224.392 2.498 10 0 BEAEHO CNC[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000040592280 173378758 /nfs/dbraw/zinc/37/87/58/173378758.db2.gz WJTNXAMNMIOTQZ-GFCCVEGCSA-N 1 3 210.365 2.251 10 0 BEAEHO CNC[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000040592280 173378760 /nfs/dbraw/zinc/37/87/60/173378760.db2.gz WJTNXAMNMIOTQZ-GFCCVEGCSA-N 1 3 210.365 2.251 10 0 BEAEHO COC1CCN([C@@]2(C[NH3+])CCC[C@@H](C)C2)CC1 ZINC000037265983 174030347 /nfs/dbraw/zinc/03/03/47/174030347.db2.gz BKRRVUJICLAIMI-OCCSQVGLSA-N 1 3 240.391 2.005 10 0 BEAEHO COCC[N@H+](C1CC1)[C@@H]1CCCCCC[C@@H]1N ZINC000042518154 174285117 /nfs/dbraw/zinc/28/51/17/174285117.db2.gz FVVDHULZCBUFGZ-UONOGXRCSA-N 1 3 240.391 2.147 10 0 BEAEHO COCC[N@@H+](C1CC1)[C@@H]1CCCCCC[C@@H]1N ZINC000042518154 174285119 /nfs/dbraw/zinc/28/51/19/174285119.db2.gz FVVDHULZCBUFGZ-UONOGXRCSA-N 1 3 240.391 2.147 10 0 BEAEHO COc1ccc([C@@H](C)NC[C@H]2CC[N@H+](C)C2)cc1 ZINC000037646157 175177037 /nfs/dbraw/zinc/17/70/37/175177037.db2.gz UNDVNAGJIUOELQ-CHWSQXEVSA-N 1 3 248.370 2.298 10 0 BEAEHO COc1ccc([C@@H](C)NC[C@H]2CC[N@@H+](C)C2)cc1 ZINC000037646157 175177038 /nfs/dbraw/zinc/17/70/38/175177038.db2.gz UNDVNAGJIUOELQ-CHWSQXEVSA-N 1 3 248.370 2.298 10 0 BEAEHO COc1cccc(CN(CCC[NH3+])C(C)C)c1 ZINC000036731971 175257568 /nfs/dbraw/zinc/25/75/68/175257568.db2.gz MHJUMMIOLBZLRY-UHFFFAOYSA-N 1 3 236.359 2.254 10 0 BEAEHO C[C@@H](c1ccsc1)N1CC[C@H](C[NH3+])C1 ZINC000050345219 176035825 /nfs/dbraw/zinc/03/58/25/176035825.db2.gz RLIPSNRALZYCOO-VHSXEESVSA-N 1 3 210.346 2.090 10 0 BEAEHO C[C@@H]1CCCC[N@@H+]1CCCNC[C@@H]1CCCO1 ZINC000020047780 176071145 /nfs/dbraw/zinc/07/11/45/176071145.db2.gz QQLSGEMUSWULLI-KGLIPLIRSA-N 1 3 240.391 2.020 10 0 BEAEHO C[C@@H]1CCCC[N@H+]1CCCNC[C@@H]1CCCO1 ZINC000020047780 176071147 /nfs/dbraw/zinc/07/11/47/176071147.db2.gz QQLSGEMUSWULLI-KGLIPLIRSA-N 1 3 240.391 2.020 10 0 BEAEHO C[C@@H]1CCCCN1CCC[NH2+]C[C@@H]1CCCO1 ZINC000020047780 176071148 /nfs/dbraw/zinc/07/11/48/176071148.db2.gz QQLSGEMUSWULLI-KGLIPLIRSA-N 1 3 240.391 2.020 10 0 BEAEHO C[C@@H]1CCC[C@@H](N(C)C[C@]2(C)CC[NH2+]C2)C1 ZINC000062911749 176120271 /nfs/dbraw/zinc/12/02/71/176120271.db2.gz OIVQKZLRNVMPBW-MGPQQGTHSA-N 1 3 224.392 2.497 10 0 BEAEHO C[C@@H]1CCC[C@H]([N@@H+]2CC[C@H](CN)C2)[C@@H]1C ZINC000034689346 176141670 /nfs/dbraw/zinc/14/16/70/176141670.db2.gz SCHRUNVVTQECAO-LPWJVIDDSA-N 1 3 210.365 2.092 10 0 BEAEHO C[C@@H]1CCC[C@H]([N@H+]2CC[C@H](CN)C2)[C@@H]1C ZINC000034689346 176141672 /nfs/dbraw/zinc/14/16/72/176141672.db2.gz SCHRUNVVTQECAO-LPWJVIDDSA-N 1 3 210.365 2.092 10 0 BEAEHO C[C@@H]1CC[NH+](C2CCCC2)CC[C@@H](C)N1 ZINC000049664898 176166669 /nfs/dbraw/zinc/16/66/69/176166669.db2.gz CEESMZWRVLGDIL-VXGBXAGGSA-N 1 3 210.365 2.391 10 0 BEAEHO C[C@@H]1CC[C@H](C[NH3+])CN1Cc1ccccc1 ZINC000042427360 176224407 /nfs/dbraw/zinc/22/44/07/176224407.db2.gz TYQOEBOKARBTQU-TZMCWYRMSA-N 1 3 218.344 2.246 10 0 BEAEHO C[C@@H]1CNCC[N@H+](CCCc2ccccc2)C1 ZINC000049662213 176325348 /nfs/dbraw/zinc/32/53/48/176325348.db2.gz TVIDWWTYUFPIQP-CQSZACIVSA-N 1 3 232.371 2.161 10 0 BEAEHO C[C@@H]1CNCC[N@@H+](CCCc2ccccc2)C1 ZINC000049662213 176325349 /nfs/dbraw/zinc/32/53/49/176325349.db2.gz TVIDWWTYUFPIQP-CQSZACIVSA-N 1 3 232.371 2.161 10 0 BEAEHO C[C@@H]1C[NH2+]C[C@@H](C)CN(CCc2ccccc2)C1 ZINC000049664786 176328742 /nfs/dbraw/zinc/32/87/42/176328742.db2.gz ZLVXTJRIKIOLQQ-HUUCEWRRSA-N 1 3 246.398 2.407 10 0 BEAEHO C[C@@H]1CNC[C@@H](C)C[NH+](CCc2ccccc2)C1 ZINC000049664786 176328745 /nfs/dbraw/zinc/32/87/45/176328745.db2.gz ZLVXTJRIKIOLQQ-HUUCEWRRSA-N 1 3 246.398 2.407 10 0 BEAEHO C[C@H](C[NH2+][C@@H]1C[C@H]2CC=C[C@@H]21)CN1CCCC1 ZINC000071138606 176684357 /nfs/dbraw/zinc/68/43/57/176684357.db2.gz ISXDGSBFSHRRLA-APIJFGDWSA-N 1 3 234.387 2.273 10 0 BEAEHO C[C@H]1CCCC[N@@H+]1CCCNC[C@@H]1CCCO1 ZINC000020047783 177074868 /nfs/dbraw/zinc/07/48/68/177074868.db2.gz QQLSGEMUSWULLI-KBPBESRZSA-N 1 3 240.391 2.020 10 0 BEAEHO C[C@H]1CCCC[N@H+]1CCCNC[C@@H]1CCCO1 ZINC000020047783 177074870 /nfs/dbraw/zinc/07/48/70/177074870.db2.gz QQLSGEMUSWULLI-KBPBESRZSA-N 1 3 240.391 2.020 10 0 BEAEHO C[C@H]1CCCCN1CCC[NH2+]C[C@@H]1CCCO1 ZINC000020047783 177074872 /nfs/dbraw/zinc/07/48/72/177074872.db2.gz QQLSGEMUSWULLI-KBPBESRZSA-N 1 3 240.391 2.020 10 0 BEAEHO C[C@H]1CCCC[C@@H]1C[NH+]1CCCNCCC1 ZINC000042867339 177079657 /nfs/dbraw/zinc/07/96/57/177079657.db2.gz CFOVPAXGHVIEDF-UONOGXRCSA-N 1 3 224.392 2.498 10 0 BEAEHO C[C@@H]1CC[N@@H+](CC(C)(C)C)CC[C@H](C)N1 ZINC000049667086 177159062 /nfs/dbraw/zinc/15/90/62/177159062.db2.gz DKQMUVPNAURAKK-TXEJJXNPSA-N 1 3 212.381 2.495 10 0 BEAEHO C[C@@H]1CC[N@H+](CC(C)(C)C)CC[C@H](C)N1 ZINC000049667086 177159064 /nfs/dbraw/zinc/15/90/64/177159064.db2.gz DKQMUVPNAURAKK-TXEJJXNPSA-N 1 3 212.381 2.495 10 0 BEAEHO C[C@H]1CC[C@@H](CN)C[N@@H+]1CC1CCCC1 ZINC000042427490 177189890 /nfs/dbraw/zinc/18/98/90/177189890.db2.gz PPPDKNRTKUJMCH-AAEUAGOBSA-N 1 3 210.365 2.236 10 0 BEAEHO C[C@H]1CC[C@@H](CN)C[N@H+]1CC1CCCC1 ZINC000042427490 177189891 /nfs/dbraw/zinc/18/98/91/177189891.db2.gz PPPDKNRTKUJMCH-AAEUAGOBSA-N 1 3 210.365 2.236 10 0 BEAEHO C[C@H]1CC[C@H](C[NH3+])CN1Cc1ccccc1 ZINC000042427361 177200807 /nfs/dbraw/zinc/20/08/07/177200807.db2.gz TYQOEBOKARBTQU-GXTWGEPZSA-N 1 3 218.344 2.246 10 0 BEAEHO C[C@@H](c1ccccc1)[N@@H+]1CCCN[C@@H](C)C1 ZINC000062609104 177274071 /nfs/dbraw/zinc/27/40/71/177274071.db2.gz GLJUBZMTNAQDNG-STQMWFEESA-N 1 3 218.344 2.431 10 0 BEAEHO C[C@@H](c1ccccc1)[N@H+]1CCCN[C@@H](C)C1 ZINC000062609104 177274072 /nfs/dbraw/zinc/27/40/72/177274072.db2.gz GLJUBZMTNAQDNG-STQMWFEESA-N 1 3 218.344 2.431 10 0 BEAEHO C[C@@H]1C[N@H+]([C@@]2(CN)CCCC[C@@H]2C)C[C@H](C)O1 ZINC000019515830 177275207 /nfs/dbraw/zinc/27/52/07/177275207.db2.gz YYTZQACFASOKKM-IGQOVBAYSA-N 1 3 240.391 2.003 10 0 BEAEHO C[C@@H]1C[N@@H+]([C@@]2(CN)CCCC[C@@H]2C)C[C@H](C)O1 ZINC000019515830 177275209 /nfs/dbraw/zinc/27/52/09/177275209.db2.gz YYTZQACFASOKKM-IGQOVBAYSA-N 1 3 240.391 2.003 10 0 BEAEHO C[C@H]1CNC[C@H](C)C[NH+](CC(C)(C)C)C1 ZINC000049667095 177285586 /nfs/dbraw/zinc/28/55/86/177285586.db2.gz ZTBUGKWPMYPZLF-RYUDHWBXSA-N 1 3 212.381 2.210 10 0 BEAEHO Cc1ccccc1CCN[C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400328525 226340828 /nfs/dbraw/zinc/34/08/28/226340828.db2.gz BCNWOPJALMFQLV-ZFWWWQNUSA-N 1 3 232.371 2.125 10 0 BEAEHO Cc1cccc(CCN[C@@H](C)[C@H]2CC[NH2+]C2)c1 ZINC000400347722 226341312 /nfs/dbraw/zinc/34/13/12/226341312.db2.gz IFXOHRJNOLCYLI-ZFWWWQNUSA-N 1 3 232.371 2.125 10 0 BEAEHO C[C@H](CCc1ccco1)[NH2+][C@@H]1CCC[C@@H]1CN ZINC000089147853 487763349 /nfs/dbraw/zinc/76/33/49/487763349.db2.gz RHCJYCKPJRMLCA-YRGRVCCFSA-N 1 3 236.359 2.318 10 0 BEAEHO CC(C)CSCCN[C@H]1CCC[NH2+]CC1 ZINC000397302139 323090251 /nfs/dbraw/zinc/09/02/51/323090251.db2.gz GLWDVPHTUWRKII-LBPRGKRZSA-N 1 3 230.421 2.107 10 0 BEAEHO C[C@@H]([NH2+]CC1CCCC1)[C@@H]1CCCNC1 ZINC000563796846 323178005 /nfs/dbraw/zinc/17/80/05/323178005.db2.gz OJHGGUUMYRUYDM-DGCLKSJQSA-N 1 3 210.365 2.154 10 0 BEAEHO C[C@H]([NH2+]C[C@@H]1CC=CCC1)[C@@H]1CCCNC1 ZINC000566791085 326082449 /nfs/dbraw/zinc/08/24/49/326082449.db2.gz PJVYFVPQFJADRS-BFHYXJOUSA-N 1 3 222.376 2.320 10 0 BEAEHO C[C@H]([NH2+]C[C@H]1CC=CCC1)[C@H]1CCCNC1 ZINC000566791086 326082482 /nfs/dbraw/zinc/08/24/82/326082482.db2.gz PJVYFVPQFJADRS-IHRRRGAJSA-N 1 3 222.376 2.320 10 0 BEAEHO C[C@H]1CN(CCC(C)(C)C2CC2)C[C@@H]1[NH3+] ZINC000405955621 487496496 /nfs/dbraw/zinc/49/64/96/487496496.db2.gz KGCOENBVLGRLOC-JQWIXIFHSA-N 1 3 210.365 2.092 10 0 BEAEHO C[C@@H]1CN(CCC(C)(C)C2CC2)C[C@@H]1[NH3+] ZINC000405955623 487497155 /nfs/dbraw/zinc/49/71/55/487497155.db2.gz KGCOENBVLGRLOC-PWSUYJOCSA-N 1 3 210.365 2.092 10 0 BEAEHO C[C@@H]1C[NH+](Cc2cccc3c2CCNC3)C[C@H]1C ZINC000123997714 490271042 /nfs/dbraw/zinc/27/10/42/490271042.db2.gz CDTNBDWSYIWELP-CHWSQXEVSA-N 1 3 244.382 2.420 10 0 BEAEHO CCCC[N@@H+]1CCC[C@@]12CC[C@@H](C)NC2 ZINC000757124064 582499327 /nfs/dbraw/zinc/49/93/27/582499327.db2.gz BNOUIKAPGMZWBP-OLZOCXBDSA-N 1 3 210.365 2.393 10 0 BEAEHO CCCC[N@H+]1CCC[C@@]12CC[C@@H](C)NC2 ZINC000757124064 582499328 /nfs/dbraw/zinc/49/93/28/582499328.db2.gz BNOUIKAPGMZWBP-OLZOCXBDSA-N 1 3 210.365 2.393 10 0 BEAEHO CC[C@H](C)N1CCC[C@]12CC[C@H](C)[NH2+]C2 ZINC000757130791 582504797 /nfs/dbraw/zinc/50/47/97/582504797.db2.gz NYYNHKFEJDZOOO-RWMBFGLXSA-N 1 3 210.365 2.391 10 0 BEAEHO CC[C@H](C)[N@@H+]1CCC[C@]12CC[C@H](C)NC2 ZINC000757130791 582504799 /nfs/dbraw/zinc/50/47/99/582504799.db2.gz NYYNHKFEJDZOOO-RWMBFGLXSA-N 1 3 210.365 2.391 10 0 BEAEHO CC[C@H](C)[N@H+]1CCC[C@]12CC[C@H](C)NC2 ZINC000757130791 582504800 /nfs/dbraw/zinc/50/48/00/582504800.db2.gz NYYNHKFEJDZOOO-RWMBFGLXSA-N 1 3 210.365 2.391 10 0 BEAEHO C[C@H](C1CC1)[N@@H+]1CCC[C@]12CCCN[C@H]2C ZINC000757132971 582509310 /nfs/dbraw/zinc/50/93/10/582509310.db2.gz SHXNQGQFOJWUPZ-DYEKYZERSA-N 1 3 222.376 2.391 10 0 BEAEHO C[C@H](C1CC1)[N@H+]1CCC[C@]12CCCN[C@H]2C ZINC000757132971 582509312 /nfs/dbraw/zinc/50/93/12/582509312.db2.gz SHXNQGQFOJWUPZ-DYEKYZERSA-N 1 3 222.376 2.391 10 0 BEAEHO CC(C)[C@@H](C)[N@@H+]1CCC[C@]12CNC[C@@H](C)C2 ZINC000757135004 582514024 /nfs/dbraw/zinc/51/40/24/582514024.db2.gz XTUUDHBNECBTHM-MJBXVCDLSA-N 1 3 224.392 2.495 10 0 BEAEHO CC(C)[C@@H](C)[N@H+]1CCC[C@]12CNC[C@@H](C)C2 ZINC000757135004 582514026 /nfs/dbraw/zinc/51/40/26/582514026.db2.gz XTUUDHBNECBTHM-MJBXVCDLSA-N 1 3 224.392 2.495 10 0 BEAEHO CC(C)[C@@H](C)N1CCC[C@]12C[NH2+]C[C@@H](C)C2 ZINC000757135004 582514027 /nfs/dbraw/zinc/51/40/27/582514027.db2.gz XTUUDHBNECBTHM-MJBXVCDLSA-N 1 3 224.392 2.495 10 0 BEAEHO CC(C)[C@H]1[NH2+]C2(CCN(C)CC2)OCC1(C)C ZINC000757153257 582538081 /nfs/dbraw/zinc/53/80/81/582538081.db2.gz ULRFHSUIRGELSL-GFCCVEGCSA-N 1 3 240.391 2.079 10 0 BEAEHO CCC[N@@H+]1CCCC[C@@H]1[C@H]1CCCNC1 ZINC000238856333 519848177 /nfs/dbraw/zinc/84/81/77/519848177.db2.gz VQBZYKSDBIFFKV-QWHCGFSZSA-N 1 3 210.365 2.251 10 0 BEAEHO CCC[N@H+]1CCCC[C@@H]1[C@H]1CCCNC1 ZINC000238856333 519848180 /nfs/dbraw/zinc/84/81/80/519848180.db2.gz VQBZYKSDBIFFKV-QWHCGFSZSA-N 1 3 210.365 2.251 10 0 BEAEHO Cc1cccc(CCN[C@H](C)[C@@H]2CC[NH2+]C2)c1 ZINC000400347721 534695574 /nfs/dbraw/zinc/69/55/74/534695574.db2.gz IFXOHRJNOLCYLI-UKRRQHHQSA-N 1 3 232.371 2.125 10 0 BEAEHO C[C@@H]1C[C@@H](N)C[N@H+](Cc2ccccc2)[C@H]1C ZINC000238854460 525247816 /nfs/dbraw/zinc/24/78/16/525247816.db2.gz NVIRYIHNKWLTFW-MBNYWOFBSA-N 1 3 218.344 2.244 10 0 BEAEHO C[C@@H]1C[C@@H](N)C[N@@H+](Cc2ccccc2)[C@H]1C ZINC000238854460 525247823 /nfs/dbraw/zinc/24/78/23/525247823.db2.gz NVIRYIHNKWLTFW-MBNYWOFBSA-N 1 3 218.344 2.244 10 0 BEAEHO CCSCC[C@H](C)N[C@H](C)[C@H]1CC[NH2+]C1 ZINC000400432987 529195487 /nfs/dbraw/zinc/19/54/87/529195487.db2.gz LTCXFXHBGIPDEM-TUAOUCFPSA-N 1 3 230.421 2.106 10 0 BEAEHO CCCN1CCN(c2ccccc2[C@@H](C)[NH3+])CC1 ZINC000019872675 534936390 /nfs/dbraw/zinc/93/63/90/534936390.db2.gz NZSFQPJYSCIPKP-CYBMUJFWSA-N 1 3 247.386 2.238 10 0 BEAEHO CCCC[N@@H+]1CCC[C@@]12CCCN[C@H]2C ZINC000757125651 582500169 /nfs/dbraw/zinc/50/01/69/582500169.db2.gz FFKPRNAUGXVDOJ-QWHCGFSZSA-N 1 3 210.365 2.393 10 0 BEAEHO CCCC[N@H+]1CCC[C@@]12CCCN[C@H]2C ZINC000757125651 582500170 /nfs/dbraw/zinc/50/01/70/582500170.db2.gz FFKPRNAUGXVDOJ-QWHCGFSZSA-N 1 3 210.365 2.393 10 0 BEAEHO CCCCN1CCC[C@@]12CCC[NH2+][C@H]2C ZINC000757125651 582500171 /nfs/dbraw/zinc/50/01/71/582500171.db2.gz FFKPRNAUGXVDOJ-QWHCGFSZSA-N 1 3 210.365 2.393 10 0 BEAEHO C[C@H]1C[NH2+]C[C@]2(CCCN2CCC2CC2)C1 ZINC000757128216 582503510 /nfs/dbraw/zinc/50/35/10/582503510.db2.gz JMVFACMNFOHGFJ-OCCSQVGLSA-N 1 3 222.376 2.251 10 0 BEAEHO C[C@H]1CNC[C@]2(CCC[N@@H+]2CCC2CC2)C1 ZINC000757128216 582503511 /nfs/dbraw/zinc/50/35/11/582503511.db2.gz JMVFACMNFOHGFJ-OCCSQVGLSA-N 1 3 222.376 2.251 10 0 BEAEHO C[C@H]1CNC[C@]2(CCC[N@H+]2CCC2CC2)C1 ZINC000757128216 582503513 /nfs/dbraw/zinc/50/35/13/582503513.db2.gz JMVFACMNFOHGFJ-OCCSQVGLSA-N 1 3 222.376 2.251 10 0 BEAEHO CC[C@]1(C)CCOC2(CC[NH+](C3CC3)CC2)N1 ZINC000757152459 582536832 /nfs/dbraw/zinc/53/68/32/582536832.db2.gz SKQSEEYLHHQKJR-CYBMUJFWSA-N 1 3 238.375 2.120 10 0 BEAEHO CC1(c2ccc([C@@H]3CNC[C@@H](C[NH3+])C3)cc2)CC1 ZINC000757218588 582561370 /nfs/dbraw/zinc/56/13/70/582561370.db2.gz VASWUXZNPHQZIH-OCCSQVGLSA-N 1 3 244.382 2.390 10 0 BEAEHO CC1(c2ccc([C@@H]3C[NH2+]C[C@@H](CN)C3)cc2)CC1 ZINC000757218588 582561372 /nfs/dbraw/zinc/56/13/72/582561372.db2.gz VASWUXZNPHQZIH-OCCSQVGLSA-N 1 3 244.382 2.390 10 0 BEAEHO C[C@H]1CC[C@@]2(CCCN2CCC2CC2)C[NH2+]1 ZINC000757129668 586426609 /nfs/dbraw/zinc/42/66/09/586426609.db2.gz MSXUDPRIDMHTGJ-JSGCOSHPSA-N 1 3 222.376 2.393 10 0 BEAEHO C[C@H]1CC[C@@]2(CCC[N@@H+]2CCC2CC2)CN1 ZINC000757129668 586426611 /nfs/dbraw/zinc/42/66/11/586426611.db2.gz MSXUDPRIDMHTGJ-JSGCOSHPSA-N 1 3 222.376 2.393 10 0 BEAEHO C[C@H]1CC[C@@]2(CCC[N@H+]2CCC2CC2)CN1 ZINC000757129668 586426612 /nfs/dbraw/zinc/42/66/12/586426612.db2.gz MSXUDPRIDMHTGJ-JSGCOSHPSA-N 1 3 222.376 2.393 10 0 BEAEHO C[C@H](C1CCC1)[N@@H+]1CCCC12CCNCC2 ZINC000757134947 586427022 /nfs/dbraw/zinc/42/70/22/586427022.db2.gz XMVSXJASBRFZMI-GFCCVEGCSA-N 1 3 222.376 2.393 10 0 BEAEHO C[C@H](C1CCC1)[N@H+]1CCCC12CCNCC2 ZINC000757134947 586427023 /nfs/dbraw/zinc/42/70/23/586427023.db2.gz XMVSXJASBRFZMI-GFCCVEGCSA-N 1 3 222.376 2.393 10 0 BEAEHO CC1(c2ccc([C@@H]3CNCC[C@H]3[NH3+])cc2)CC1 ZINC000757211809 586439010 /nfs/dbraw/zinc/43/90/10/586439010.db2.gz IUGJZYGCLDZVDV-UONOGXRCSA-N 1 3 230.355 2.142 10 0 BEAEHO CC1(c2ccc([C@@H]3C[NH2+]CC[C@H]3N)cc2)CC1 ZINC000757211809 586439012 /nfs/dbraw/zinc/43/90/12/586439012.db2.gz IUGJZYGCLDZVDV-UONOGXRCSA-N 1 3 230.355 2.142 10 0 BEAEHO C[C@@H]1C[C@H](C)[C@H](C[NH3+])[C@@H](c2cccs2)N1 ZINC000757217127 586441063 /nfs/dbraw/zinc/44/10/63/586441063.db2.gz RFQVOEIUGANPQQ-WYFGTUCQSA-N 1 3 224.373 2.382 10 0 BEAEHO NCCC[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000037713765 711467606 /nfs/dbraw/zinc/46/76/06/711467606.db2.gz VFIPEGQHDKRVGD-YNEHKIRRSA-N 1 3 210.365 2.284 10 0 BEAEHO C[C@@H]1CNC[C@H](C)[C@H]1[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000685951913 644518703 /nfs/dbraw/zinc/51/87/03/644518703.db2.gz ZAVXHTSGWWHUDN-ZUWCUPBKSA-N 1 3 224.392 2.493 10 0 BEAEHO C[C@@H]1CCC[C@H](C)[N@H+]1C1[C@@H](C)CNC[C@@H]1C ZINC000685951912 644518876 /nfs/dbraw/zinc/51/88/76/644518876.db2.gz ZAVXHTSGWWHUDN-ZDEQEGDKSA-N 1 3 224.392 2.493 10 0 BEAEHO C[C@@H]1CCC[C@H](C)[N@@H+]1C1[C@@H](C)CNC[C@@H]1C ZINC000685951912 644518882 /nfs/dbraw/zinc/51/88/82/644518882.db2.gz ZAVXHTSGWWHUDN-ZDEQEGDKSA-N 1 3 224.392 2.493 10 0 BEAEHO NCCC[NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000037713766 712745124 /nfs/dbraw/zinc/74/51/24/712745124.db2.gz VFIPEGQHDKRVGD-RWMBFGLXSA-N 1 3 210.365 2.284 10 0 BEAEHO C[C@H]([NH2+]C1CCNCC1)[C@@]12C[C@@H]1CCCC2 ZINC000708865615 712201852 /nfs/dbraw/zinc/20/18/52/712201852.db2.gz JXGAEYUCKGJITN-SGMGOOAPSA-N 1 3 222.376 2.297 10 0 BEAEHO C1=CCC[C@@H](C[NH2+][C@H]2CCNC2)CCC1 ZINC000719107982 712797688 /nfs/dbraw/zinc/79/76/88/712797688.db2.gz ZFGXYEBPCHVXOQ-OLZOCXBDSA-N 1 3 208.349 2.074 10 0 BEAEHO CC(C)[C@H](C)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000720859854 712870826 /nfs/dbraw/zinc/87/08/26/712870826.db2.gz RMBZKCPFGUCQMB-AEJSXWLSSA-N 1 3 238.297 2.100 10 0 BEAEHO CC(C)[C@H](C)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000720859855 712870996 /nfs/dbraw/zinc/87/09/96/712870996.db2.gz RMBZKCPFGUCQMB-GUBZILKMSA-N 1 3 238.297 2.100 10 0 BEAEHO CCN(CC)Cc1cc(F)cc(C[NH3+])c1 ZINC000162813398 538924860 /nfs/dbraw/zinc/92/48/60/538924860.db2.gz AEQAPDKEHMCJHH-UHFFFAOYSA-N 1 3 210.296 2.126 10 0 BEAEHO C1=C[C@H]2C[C@@H]1C[C@@H]2C[NH2+]CCCN1CCCC1 ZINC000035015689 342699460 /nfs/dbraw/zinc/69/94/60/342699460.db2.gz SXMOKDZSGQAFJU-QLFBSQMISA-N 1 3 234.387 2.274 10 0 BEAEHO CC(C)[NH2+]C1CCN([C@@H](C)C(C)C)CC1 ZINC000390002003 539019755 /nfs/dbraw/zinc/01/97/55/539019755.db2.gz UCKLACKLZAZHAX-LBPRGKRZSA-N 1 3 212.381 2.493 10 0 BEAEHO C1C[C@H]2C[C@H](N[C@@H]3CCCSC3)CC[N@@H+]2C1 ZINC000128095592 187233046 /nfs/dbraw/zinc/23/30/46/187233046.db2.gz AXCTWBUTLBZZFT-UPJWGTAASA-N 1 3 240.416 2.098 10 0 BEAEHO C1C[C@H]2C[C@H](N[C@@H]3CCCSC3)CC[N@H+]2C1 ZINC000128095592 187233048 /nfs/dbraw/zinc/23/30/48/187233048.db2.gz AXCTWBUTLBZZFT-UPJWGTAASA-N 1 3 240.416 2.098 10 0 BEAEHO C1C[C@@H]2C[C@@H](N[C@@H]3CCCSC3)CC[N@@H+]2C1 ZINC000128095821 187233280 /nfs/dbraw/zinc/23/32/80/187233280.db2.gz AXCTWBUTLBZZFT-YNEHKIRRSA-N 1 3 240.416 2.098 10 0 BEAEHO C1C[C@@H]2C[C@@H](N[C@@H]3CCCSC3)CC[N@H+]2C1 ZINC000128095821 187233282 /nfs/dbraw/zinc/23/32/82/187233282.db2.gz AXCTWBUTLBZZFT-YNEHKIRRSA-N 1 3 240.416 2.098 10 0 BEAEHO C[C@@H]([NH2+]CC(C1CC1)C1CC1)[C@@H]1CCCNC1 ZINC000562958808 323035197 /nfs/dbraw/zinc/03/51/97/323035197.db2.gz SQLKKHRGAVMYQI-BXUZGUMPSA-N 1 3 236.403 2.400 10 0 BEAEHO CCSCC[NH2+]C[C@@H]1CCN(C(C)C)C1 ZINC000128932698 343176064 /nfs/dbraw/zinc/17/60/64/343176064.db2.gz LZOSMFFUSKZMBJ-LBPRGKRZSA-N 1 3 230.421 2.059 10 0 BEAEHO CCSCCNC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000128932698 343176065 /nfs/dbraw/zinc/17/60/65/343176065.db2.gz LZOSMFFUSKZMBJ-LBPRGKRZSA-N 1 3 230.421 2.059 10 0 BEAEHO CCSCCNC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000128932698 343176066 /nfs/dbraw/zinc/17/60/66/343176066.db2.gz LZOSMFFUSKZMBJ-LBPRGKRZSA-N 1 3 230.421 2.059 10 0 BEAEHO CC(C)N1CC[C@@H](C[NH2+][C@@H](C)[C@H]2C[C@H]2C)C1 ZINC000321657776 343503807 /nfs/dbraw/zinc/50/38/07/343503807.db2.gz WHVICIVLOGPDPJ-RFGFWPKPSA-N 1 3 224.392 2.351 10 0 BEAEHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC2CC2)C1 ZINC000037478515 537819895 /nfs/dbraw/zinc/81/98/95/537819895.db2.gz IENRIPWVIMJNFD-VXGBXAGGSA-N 1 3 210.365 2.106 10 0 BEAEHO C[C@@H]1C[C@@H](C)CN(CCC[NH2+]C2CC2)C1 ZINC000037478515 537819902 /nfs/dbraw/zinc/81/99/02/537819902.db2.gz IENRIPWVIMJNFD-VXGBXAGGSA-N 1 3 210.365 2.106 10 0 BEAEHO c1ccc2c(c1)CN(C[C@@H]1CCCC[NH2+]1)C=N2 ZINC000095079121 187287168 /nfs/dbraw/zinc/28/71/68/187287168.db2.gz ZNMJJWQTBFPGBT-ZDUSSCGKSA-N 1 3 229.327 2.304 10 0 BEAEHO CCSCC[C@H](C)[NH2+][C@H]1CCCNCC1 ZINC000133778892 344322259 /nfs/dbraw/zinc/32/22/59/344322259.db2.gz QOFXLVKKIMIDSI-RYUDHWBXSA-N 1 3 230.421 2.250 10 0 BEAEHO CCC1CC[NH+](C[C@H](N)CC(C)C)CC1 ZINC000042447410 344454223 /nfs/dbraw/zinc/45/42/23/344454223.db2.gz BRVMUSRKKBUJKJ-CYBMUJFWSA-N 1 3 212.381 2.482 10 0 BEAEHO C[C@H](C[N@@H+]1C[C@H](C)[C@@H](CN)C1)c1ccccc1 ZINC000634998515 345198098 /nfs/dbraw/zinc/19/80/98/345198098.db2.gz GRUJHXNJCMVDAF-IPYPFGDCSA-N 1 3 232.371 2.317 10 0 BEAEHO C[C@H](C[N@H+]1C[C@H](C)[C@@H](CN)C1)c1ccccc1 ZINC000634998515 345198100 /nfs/dbraw/zinc/19/81/00/345198100.db2.gz GRUJHXNJCMVDAF-IPYPFGDCSA-N 1 3 232.371 2.317 10 0 BEAEHO C[C@@H]1CN(C/C=C/c2ccccc2)C[C@@H]1C[NH3+] ZINC000634998232 345198618 /nfs/dbraw/zinc/19/86/18/345198618.db2.gz CITPPGOSINXVLR-JGOVJGDKSA-N 1 3 230.355 2.226 10 0 BEAEHO CC1(C)CCC[C@@H]1C[NH2+]C1CCNCC1 ZINC000335631533 345431503 /nfs/dbraw/zinc/43/15/03/345431503.db2.gz BEOIJCXEAIMFEX-LLVKDONJSA-N 1 3 210.365 2.154 10 0 BEAEHO CC(C)[NH+](Cc1cncc(CN)c1)C(C)C ZINC000669379199 537974802 /nfs/dbraw/zinc/97/48/02/537974802.db2.gz WQUBLTFPCFHASG-UHFFFAOYSA-N 1 3 221.348 2.159 10 0 BEAEHO Cc1cccc(C[N@H+]2CCNCC[C@@H]2C)c1 ZINC000062609134 179079321 /nfs/dbraw/zinc/07/93/21/179079321.db2.gz YJWFVGCUHPHLIF-ZDUSSCGKSA-N 1 3 218.344 2.179 10 0 BEAEHO Cc1cccc(C[N@@H+]2CCNCC[C@@H]2C)c1 ZINC000062609134 179079324 /nfs/dbraw/zinc/07/93/24/179079324.db2.gz YJWFVGCUHPHLIF-ZDUSSCGKSA-N 1 3 218.344 2.179 10 0 BEAEHO CCOC[C@H]([NH2+][C@@H](C)[C@@H]1CCCNC1)C(C)C ZINC000580062450 346502425 /nfs/dbraw/zinc/50/24/25/346502425.db2.gz CQUFMFBGGYNHGG-MJBXVCDLSA-N 1 3 242.407 2.025 10 0 BEAEHO CCOC[C@H](N[C@@H](C)[C@@H]1CCC[NH2+]C1)C(C)C ZINC000580062450 346502428 /nfs/dbraw/zinc/50/24/28/346502428.db2.gz CQUFMFBGGYNHGG-MJBXVCDLSA-N 1 3 242.407 2.025 10 0 BEAEHO CCOC[C@H]([NH2+][C@H](C)[C@@H]1CCCNC1)C(C)C ZINC000580062449 346502714 /nfs/dbraw/zinc/50/27/14/346502714.db2.gz CQUFMFBGGYNHGG-MCIONIFRSA-N 1 3 242.407 2.025 10 0 BEAEHO CCOC[C@H](N[C@H](C)[C@@H]1CCC[NH2+]C1)C(C)C ZINC000580062449 346502717 /nfs/dbraw/zinc/50/27/17/346502717.db2.gz CQUFMFBGGYNHGG-MCIONIFRSA-N 1 3 242.407 2.025 10 0 BEAEHO C[C@H](CC(F)(F)F)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000577161772 365848180 /nfs/dbraw/zinc/84/81/80/365848180.db2.gz RAPDVESTPNJPBE-BBBLOLIVSA-N 1 3 238.297 2.305 10 0 BEAEHO [NH3+][C@H](CCN1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000114349139 347352468 /nfs/dbraw/zinc/35/24/68/347352468.db2.gz DPXXYMQUWQIWCM-CYBMUJFWSA-N 1 3 249.314 2.081 10 0 BEAEHO Cc1ccccc1C[N@H+]1CCNC[C@@H](C)C1 ZINC000049662204 179274599 /nfs/dbraw/zinc/27/45/99/179274599.db2.gz MMEMAFLJDQGNDA-GFCCVEGCSA-N 1 3 218.344 2.036 10 0 BEAEHO Cc1ccccc1C[N@@H+]1CCNC[C@@H](C)C1 ZINC000049662204 179274600 /nfs/dbraw/zinc/27/46/00/179274600.db2.gz MMEMAFLJDQGNDA-GFCCVEGCSA-N 1 3 218.344 2.036 10 0 BEAEHO CNc1ccc([C@@H]2CCCC[N@@H+]2CCN)cc1 ZINC000616616185 350854291 /nfs/dbraw/zinc/85/42/91/350854291.db2.gz KVUPUQQFSRREMD-AWEZNQCLSA-N 1 3 233.359 2.214 10 0 BEAEHO CNc1ccc([C@@H]2CCCC[N@H+]2CCN)cc1 ZINC000616616185 350854292 /nfs/dbraw/zinc/85/42/92/350854292.db2.gz KVUPUQQFSRREMD-AWEZNQCLSA-N 1 3 233.359 2.214 10 0 BEAEHO C[C@H]1C[C@H](C[NH3+])CN(Cc2ccccc2)C1 ZINC000306904732 351318488 /nfs/dbraw/zinc/31/84/88/351318488.db2.gz KIEBFFUKRWZHOR-GXTWGEPZSA-N 1 3 218.344 2.103 10 0 BEAEHO C1=C(CN[C@@H]2CCC[NH2+]CC2)CCCC1 ZINC000336235635 188256705 /nfs/dbraw/zinc/25/67/05/188256705.db2.gz CFRLVVGIIWVNKL-CYBMUJFWSA-N 1 3 208.349 2.219 10 0 BEAEHO C[C@@H]([NH3+])c1ccccc1N(C)[C@H]1CCCN(C)C1 ZINC000103954491 188323347 /nfs/dbraw/zinc/32/33/47/188323347.db2.gz ZDOPDCRIMQLOIT-OLZOCXBDSA-N 1 3 247.386 2.237 10 0 BEAEHO CCNC[C@H]1C[NH2+]C[C@H]1C1CCCCC1 ZINC000675050974 538473348 /nfs/dbraw/zinc/47/33/48/538473348.db2.gz DTYKPKJKKKERNM-STQMWFEESA-N 1 3 210.365 2.012 10 0 BEAEHO CCCC[N@H+](CC)[C@H]1[C@H](C)CNC[C@@H]1C ZINC000685950908 538894329 /nfs/dbraw/zinc/89/43/29/538894329.db2.gz HRYQCAYBSJOKAP-ITGUQSILSA-N 1 3 212.381 2.352 10 0 BEAEHO CCCC[N@@H+](CC)[C@H]1[C@H](C)CNC[C@@H]1C ZINC000685950908 538894331 /nfs/dbraw/zinc/89/43/31/538894331.db2.gz HRYQCAYBSJOKAP-ITGUQSILSA-N 1 3 212.381 2.352 10 0 BEAEHO CC[C@H]1CCC[N@@H+]([C@H]2[C@H](C)CNC[C@@H]2C)C1 ZINC000685950845 538894656 /nfs/dbraw/zinc/89/46/56/538894656.db2.gz FETHWMACROPDLE-RFQIPJPRSA-N 1 3 224.392 2.352 10 0 BEAEHO CC[C@H]1CCC[N@H+]([C@H]2[C@H](C)CNC[C@@H]2C)C1 ZINC000685950845 538894658 /nfs/dbraw/zinc/89/46/58/538894658.db2.gz FETHWMACROPDLE-RFQIPJPRSA-N 1 3 224.392 2.352 10 0 BEAEHO CC[C@H]1CCCC[N@@H+]1[C@H]1[C@H](C)CNC[C@@H]1C ZINC000685951681 538895070 /nfs/dbraw/zinc/89/50/70/538895070.db2.gz VNKPZUHMUAAWMQ-RFQIPJPRSA-N 1 3 224.392 2.495 10 0 BEAEHO CC[C@H]1CCCC[N@H+]1[C@H]1[C@H](C)CNC[C@@H]1C ZINC000685951681 538895072 /nfs/dbraw/zinc/89/50/72/538895072.db2.gz VNKPZUHMUAAWMQ-RFQIPJPRSA-N 1 3 224.392 2.495 10 0 BEAEHO C[C@@H]1CNC[C@H](C)[C@H]1[N@@H+]1CCSC(C)(C)C1 ZINC000685951422 538895325 /nfs/dbraw/zinc/89/53/25/538895325.db2.gz UALCUEDQHWQAME-GDNZZTSVSA-N 1 3 242.432 2.058 10 0 BEAEHO C[C@@H]1CNC[C@H](C)[C@H]1[N@H+]1CCSC(C)(C)C1 ZINC000685951422 538895326 /nfs/dbraw/zinc/89/53/26/538895326.db2.gz UALCUEDQHWQAME-GDNZZTSVSA-N 1 3 242.432 2.058 10 0 BEAEHO C[C@@H]1C[NH2+]C[C@H](C)[C@H]1N1CCSC(C)(C)C1 ZINC000685951422 538895327 /nfs/dbraw/zinc/89/53/27/538895327.db2.gz UALCUEDQHWQAME-GDNZZTSVSA-N 1 3 242.432 2.058 10 0 BEAEHO C[C@@H]1CNC[C@@H](C)C1[N@@H+]1CCSC(C)(C)C1 ZINC000685951423 538895561 /nfs/dbraw/zinc/89/55/61/538895561.db2.gz UALCUEDQHWQAME-GHMZBOCLSA-N 1 3 242.432 2.058 10 0 BEAEHO C[C@@H]1CNC[C@@H](C)C1[N@H+]1CCSC(C)(C)C1 ZINC000685951423 538895562 /nfs/dbraw/zinc/89/55/62/538895562.db2.gz UALCUEDQHWQAME-GHMZBOCLSA-N 1 3 242.432 2.058 10 0 BEAEHO C[C@@H]1C[NH2+]C[C@@H](C)C1N1CCSC(C)(C)C1 ZINC000685951423 538895563 /nfs/dbraw/zinc/89/55/63/538895563.db2.gz UALCUEDQHWQAME-GHMZBOCLSA-N 1 3 242.432 2.058 10 0 BEAEHO CC(C)=CCC[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000584774314 358175143 /nfs/dbraw/zinc/17/51/43/358175143.db2.gz MXABFGWQYFWBQW-STQMWFEESA-N 1 3 210.365 2.320 10 0 BEAEHO C[C@@H]1C[C@H](N)C[C@@H]2C[C@H](c3ccccc3)C[N@@H+]21 ZINC000584640369 358326251 /nfs/dbraw/zinc/32/62/51/358326251.db2.gz UNOGMZFUWVHFJS-UNQGMJICSA-N 1 3 230.355 2.354 10 0 BEAEHO C[C@@H]1C[C@H](N)C[C@@H]2C[C@H](c3ccccc3)C[N@H+]21 ZINC000584640369 358326254 /nfs/dbraw/zinc/32/62/54/358326254.db2.gz UNOGMZFUWVHFJS-UNQGMJICSA-N 1 3 230.355 2.354 10 0 BEAEHO CC(=[NH2+])N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000306571227 360457980 /nfs/dbraw/zinc/45/79/80/360457980.db2.gz GVHHBRRVHYGCAV-SWLSCSKDSA-N 1 3 245.370 2.484 10 0 BEAEHO Cc1ccsc1[C@H]1[C@@H](C[NH3+])CCN1C ZINC000069796103 360557500 /nfs/dbraw/zinc/55/75/00/360557500.db2.gz TYFSIFPOEJGSAA-NXEZZACHSA-N 1 3 210.346 2.008 10 0 BEAEHO C([NH2+][C@H]1CCCNCC1)[C@H]1CCCC12CC2 ZINC000629553923 361439613 /nfs/dbraw/zinc/43/96/13/361439613.db2.gz DSWCCZXQIILQSW-OLZOCXBDSA-N 1 3 222.376 2.298 10 0 BEAEHO NC1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000019428632 181343925 /nfs/dbraw/zinc/34/39/25/181343925.db2.gz SLFFOQRFCMZPJX-UHFFFAOYSA-N 1 3 234.387 2.378 10 0 BEAEHO CCC(C)(C)CCN1C[C@@H](OC)C[C@@]1(C)C[NH3+] ZINC000630357198 364078709 /nfs/dbraw/zinc/07/87/09/364078709.db2.gz COTQNSZZEDMAQW-JSGCOSHPSA-N 1 3 242.407 2.251 10 0 BEAEHO CO[C@@H]1CN(CC2CCCCC2)[C@](C)(C[NH3+])C1 ZINC000630362193 364082312 /nfs/dbraw/zinc/08/23/12/364082312.db2.gz OILDAAOGDVYHMR-KBPBESRZSA-N 1 3 240.391 2.005 10 0 BEAEHO CCOCC(C)(C)C[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000574747849 365133862 /nfs/dbraw/zinc/13/38/62/365133862.db2.gz RCHGQECTVDMDPO-CHWSQXEVSA-N 1 3 242.407 2.027 10 0 BEAEHO C[C@@H]1[C@H](N)[C@@H](C)[C@H](C)C[N@@H+]1Cc1ccccc1 ZINC000101417828 368384214 /nfs/dbraw/zinc/38/42/14/368384214.db2.gz MCYADVOUXKSBRH-QVHKTLOISA-N 1 3 232.371 2.490 10 0 BEAEHO C[C@@H]1[C@H](N)[C@@H](C)[C@H](C)C[N@H+]1Cc1ccccc1 ZINC000101417828 368384217 /nfs/dbraw/zinc/38/42/17/368384217.db2.gz MCYADVOUXKSBRH-QVHKTLOISA-N 1 3 232.371 2.490 10 0 BEAEHO Cc1ccc(C[N@H+]2C[C@H](C)[C@@H](CN)C2)c(C)c1 ZINC000631837284 369096391 /nfs/dbraw/zinc/09/63/91/369096391.db2.gz QPGYCBVYQTXIHP-ZFWWWQNUSA-N 1 3 232.371 2.330 10 0 BEAEHO Cc1ccc(C[N@@H+]2C[C@H](C)[C@@H](CN)C2)c(C)c1 ZINC000631837284 369096395 /nfs/dbraw/zinc/09/63/95/369096395.db2.gz QPGYCBVYQTXIHP-ZFWWWQNUSA-N 1 3 232.371 2.330 10 0 BEAEHO Cc1ccc(CN2C[C@H](C)[C@@H](C[NH3+])C2)c(C)c1 ZINC000631837284 369096398 /nfs/dbraw/zinc/09/63/98/369096398.db2.gz QPGYCBVYQTXIHP-ZFWWWQNUSA-N 1 3 232.371 2.330 10 0 BEAEHO C[C@H]1C[N@H+](CCC(C)(C)C2CC2)C[C@@H]1CN ZINC000631838046 369114706 /nfs/dbraw/zinc/11/47/06/369114706.db2.gz YVLYQWMHUAAIBZ-RYUDHWBXSA-N 1 3 224.392 2.339 10 0 BEAEHO C[C@H]1C[N@@H+](CCC(C)(C)C2CC2)C[C@@H]1CN ZINC000631838046 369114709 /nfs/dbraw/zinc/11/47/09/369114709.db2.gz YVLYQWMHUAAIBZ-RYUDHWBXSA-N 1 3 224.392 2.339 10 0 BEAEHO C[C@H]1C[N@H+](CC2CCCCC2)C[C@@H]1CN ZINC000631839737 369170169 /nfs/dbraw/zinc/17/01/69/369170169.db2.gz KFMZMSKVSFPESR-AAEUAGOBSA-N 1 3 210.365 2.093 10 0 BEAEHO C[C@H]1C[N@@H+](CC2CCCCC2)C[C@@H]1CN ZINC000631839737 369170172 /nfs/dbraw/zinc/17/01/72/369170172.db2.gz KFMZMSKVSFPESR-AAEUAGOBSA-N 1 3 210.365 2.093 10 0 BEAEHO c1cc(N2CCC3(CC2)CCC[NH2+]CC3)ccn1 ZINC000113931307 370516488 /nfs/dbraw/zinc/51/64/88/370516488.db2.gz ROAMRKMRSVILNY-UHFFFAOYSA-N 1 3 245.370 2.442 10 0 BEAEHO N[C@H]1CCCCC[C@H]1C[NH+]1CCCCC1 ZINC000053862527 181639540 /nfs/dbraw/zinc/63/95/40/181639540.db2.gz NNXSQMIDYXUGBC-STQMWFEESA-N 1 3 210.365 2.380 10 0 BEAEHO [NH3+][C@H]1CCCCC[C@H]1CN1CCCCC1 ZINC000053862527 181639542 /nfs/dbraw/zinc/63/95/42/181639542.db2.gz NNXSQMIDYXUGBC-STQMWFEESA-N 1 3 210.365 2.380 10 0 BEAEHO C[C@H]([NH2+]CC1CC(F)(F)C1)[C@@H]1CCCNC1 ZINC000572868624 326415903 /nfs/dbraw/zinc/41/59/03/326415903.db2.gz UTZLIVYNSMQAFR-GXSJLCMTSA-N 1 3 232.318 2.009 10 0 BEAEHO C[C@H]1CN(Cc2ccc3c(c2)CCC3)C[C@@H]1C[NH3+] ZINC000631837294 372627396 /nfs/dbraw/zinc/62/73/96/372627396.db2.gz ADCWMLSDGJHGNN-LRDDRELGSA-N 1 3 244.382 2.202 10 0 BEAEHO COc1ccc(C)cc1CN1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631844383 372643008 /nfs/dbraw/zinc/64/30/08/372643008.db2.gz WZUUEYUNOOBRKB-JSGCOSHPSA-N 1 3 248.370 2.030 10 0 BEAEHO CCCN(CC1CC1)C[C@]1(C)CC[NH2+]C1 ZINC000062911717 169137974 /nfs/dbraw/zinc/13/79/74/169137974.db2.gz VEGUSYSBNVIBSL-CYBMUJFWSA-N 1 3 210.365 2.108 10 0 BEAEHO c1cc(CN2CCC3(CC[NH2+]CC3)CC2)ccn1 ZINC000004238071 183339570 /nfs/dbraw/zinc/33/95/70/183339570.db2.gz GUIHWXNNSVPRBL-UHFFFAOYSA-N 1 3 245.370 2.047 10 0 BEAEHO c1cc(NCC[NH+]2CCCCCC2)ccn1 ZINC000040768134 183356929 /nfs/dbraw/zinc/35/69/29/183356929.db2.gz DTDBVILERTTYQZ-UHFFFAOYSA-N 1 3 219.332 2.370 10 0 BEAEHO CCC[NH2+]C1CCN(C2CCCC2)CC1 ZINC000037241670 169256111 /nfs/dbraw/zinc/25/61/11/169256111.db2.gz AYYGXIZIRPJUQA-UHFFFAOYSA-N 1 3 210.365 2.393 10 0 BEAEHO CCC[NH2+]Cc1ccccc1OCCN(C)C ZINC000033465876 169267761 /nfs/dbraw/zinc/26/77/61/169267761.db2.gz IAROJVXCHBQBEN-UHFFFAOYSA-N 1 3 236.359 2.127 10 0 BEAEHO c1ccc(C[N@@H+]2CCCC23CCNCC3)cc1 ZINC000082346502 183396353 /nfs/dbraw/zinc/39/63/53/183396353.db2.gz ZAEPPLWURQVYBR-UHFFFAOYSA-N 1 3 230.355 2.405 10 0 BEAEHO c1ccc(C[N@H+]2CCCC23CCNCC3)cc1 ZINC000082346502 183396355 /nfs/dbraw/zinc/39/63/55/183396355.db2.gz ZAEPPLWURQVYBR-UHFFFAOYSA-N 1 3 230.355 2.405 10 0 BEAEHO c1ccc(CN2CCCC23CC[NH2+]CC3)cc1 ZINC000082346502 183396356 /nfs/dbraw/zinc/39/63/56/183396356.db2.gz ZAEPPLWURQVYBR-UHFFFAOYSA-N 1 3 230.355 2.405 10 0 BEAEHO CCCO[C@@H]1CCCN(C(CC)(CC)C[NH3+])C1 ZINC000042421328 169311259 /nfs/dbraw/zinc/31/12/59/169311259.db2.gz NOCCAVWTSVGKHS-CYBMUJFWSA-N 1 3 242.407 2.395 10 0 BEAEHO CCCO[C@H]1CCC[N@@H+]([C@@H]2CCC[C@@H]2CN)C1 ZINC000042420634 169312747 /nfs/dbraw/zinc/31/27/47/169312747.db2.gz GBVVFMRPWMGPGV-HZSPNIEDSA-N 1 3 240.391 2.005 10 0 BEAEHO CCCO[C@H]1CCC[N@H+]([C@@H]2CCC[C@@H]2CN)C1 ZINC000042420634 169312749 /nfs/dbraw/zinc/31/27/49/169312749.db2.gz GBVVFMRPWMGPGV-HZSPNIEDSA-N 1 3 240.391 2.005 10 0 BEAEHO CCCO[C@H]1CCCN([C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000042420634 169312750 /nfs/dbraw/zinc/31/27/50/169312750.db2.gz GBVVFMRPWMGPGV-HZSPNIEDSA-N 1 3 240.391 2.005 10 0 BEAEHO CCC[C@@H](C)N(C)CC[NH2+]CCN(CC)CC ZINC000053384538 169365825 /nfs/dbraw/zinc/36/58/25/169365825.db2.gz DROQKOKJLPEUNA-CQSZACIVSA-N 1 3 243.439 2.038 10 0 BEAEHO C[C@@H]1[C@@H]([NH3+])CCN(Cc2ccccc2)[C@H]1C ZINC000068592793 384002104 /nfs/dbraw/zinc/00/21/04/384002104.db2.gz NWKPWPVTPIKZQR-OBJOEFQTSA-N 1 3 218.344 2.244 10 0 BEAEHO C[C@@H]1C[C@H](N)C[N@H+](Cc2ccccc2)[C@@H]1C ZINC000068593177 384002370 /nfs/dbraw/zinc/00/23/70/384002370.db2.gz NVIRYIHNKWLTFW-BZPMIXESSA-N 1 3 218.344 2.244 10 0 BEAEHO C[C@@H]1C[C@H](N)C[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000068593177 384002376 /nfs/dbraw/zinc/00/23/76/384002376.db2.gz NVIRYIHNKWLTFW-BZPMIXESSA-N 1 3 218.344 2.244 10 0 BEAEHO C([NH2+][C@@H]1CCCNCC1)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403330491 383940343 /nfs/dbraw/zinc/94/03/43/383940343.db2.gz FWSAPFANQSUBSF-XJFOESAGSA-N 1 3 222.376 2.154 10 0 BEAEHO FC1(F)CCC[C@@H]1CN[C@H]1CCC[NH2+]CC1 ZINC000335661254 384464822 /nfs/dbraw/zinc/46/48/22/384464822.db2.gz FUDIYVZUMPXCEA-MNOVXSKESA-N 1 3 232.318 2.154 10 0 BEAEHO FC1(F)CCC[C@@H]1C[NH2+][C@H]1CCCNCC1 ZINC000335661254 384464827 /nfs/dbraw/zinc/46/48/27/384464827.db2.gz FUDIYVZUMPXCEA-MNOVXSKESA-N 1 3 232.318 2.154 10 0 BEAEHO C[C@H](N[C@H]1CC[C@H]([NH3+])CC1)c1nccs1 ZINC000100256597 384627404 /nfs/dbraw/zinc/62/74/04/384627404.db2.gz CCEBVNAQRAWHIX-LPEHRKFASA-N 1 3 225.361 2.064 10 0 BEAEHO CC(C)(C[NH2+][C@@H]1CCNC1)C1CCCC1 ZINC000258910546 384943632 /nfs/dbraw/zinc/94/36/32/384943632.db2.gz IFHVIQRGCNKDGL-GFCCVEGCSA-N 1 3 210.365 2.154 10 0 BEAEHO C(COC1CCCCC1)N[C@@H]1CCC[NH2+]CC1 ZINC000129256454 385127663 /nfs/dbraw/zinc/12/76/63/385127663.db2.gz WYGKZLLHXDLXAG-CYBMUJFWSA-N 1 3 240.391 2.067 10 0 BEAEHO CC(C)N1CC[C@@H](C[NH2+][C@@H]2CCCSC2)C1 ZINC000061588943 385742957 /nfs/dbraw/zinc/74/29/57/385742957.db2.gz DEMWUSNSSPWNMW-QWHCGFSZSA-N 1 3 242.432 2.202 10 0 BEAEHO C[C@H](C[NH2+][C@@H]1CCCNCC1)CC(F)F ZINC000647801461 385812315 /nfs/dbraw/zinc/81/23/15/385812315.db2.gz WIPGMHICPNIOQZ-VHSXEESVSA-N 1 3 220.307 2.009 10 0 BEAEHO C[C@H]([NH2+]CCc1ccccc1)[C@@H]1CCCNC1 ZINC000514660624 387049855 /nfs/dbraw/zinc/04/98/55/387049855.db2.gz YVYFAYPVOYARHI-DZGCQCFKSA-N 1 3 232.371 2.207 10 0 BEAEHO C[C@H](NCCc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000514660624 387049860 /nfs/dbraw/zinc/04/98/60/387049860.db2.gz YVYFAYPVOYARHI-DZGCQCFKSA-N 1 3 232.371 2.207 10 0 BEAEHO N[C@H](CCCC[NH3+])c1cc(F)ccc1F ZINC000575439414 387123393 /nfs/dbraw/zinc/12/33/93/387123393.db2.gz JNDWJDYNBNDFRB-LLVKDONJSA-N 1 3 214.259 2.094 10 0 BEAEHO N[C@H](CCCC[NH3+])c1ccc(F)c(F)c1F ZINC000575440249 387127120 /nfs/dbraw/zinc/12/71/20/387127120.db2.gz XDVODBSQHVWQQS-SECBINFHSA-N 1 3 232.249 2.233 10 0 BEAEHO Cc1ccc([C@H](N)CCC[NH3+])c(F)c1F ZINC000575438357 387129602 /nfs/dbraw/zinc/12/96/02/387129602.db2.gz IDAQSBNGEWQATN-SECBINFHSA-N 1 3 214.259 2.012 10 0 BEAEHO C[C@@H]([NH2+]CCC1(C)CC1)[C@@H]1CCCNC1 ZINC000643486552 387344028 /nfs/dbraw/zinc/34/40/28/387344028.db2.gz ZWLSGZKSJXQWEX-VXGBXAGGSA-N 1 3 210.365 2.154 10 0 BEAEHO CC[C@H]([NH2+][C@@H](C)[C@@H]1CCCNC1)C(C)C ZINC000643468260 387418203 /nfs/dbraw/zinc/41/82/03/387418203.db2.gz AZPXXAVLQURTEW-XQQFMLRXSA-N 1 3 212.381 2.399 10 0 BEAEHO CC[C@H]([NH2+][C@H](C)[C@H]1CCCNC1)C(C)C ZINC000643468257 387418337 /nfs/dbraw/zinc/41/83/37/387418337.db2.gz AZPXXAVLQURTEW-AGIUHOORSA-N 1 3 212.381 2.399 10 0 BEAEHO C[C@H](NCCC(C)(F)F)[C@@H]1CCC[NH2+]C1 ZINC000643491396 387665531 /nfs/dbraw/zinc/66/55/31/387665531.db2.gz IFZHQBOGAVOCSK-VHSXEESVSA-N 1 3 220.307 2.009 10 0 BEAEHO C[C@H]([NH2+]CCC(C)(F)F)[C@@H]1CCCNC1 ZINC000643491396 387665535 /nfs/dbraw/zinc/66/55/35/387665535.db2.gz IFZHQBOGAVOCSK-VHSXEESVSA-N 1 3 220.307 2.009 10 0 BEAEHO CC[C@]1(N)CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000575562205 387701507 /nfs/dbraw/zinc/70/15/07/387701507.db2.gz ZHXPTTZXIIJRLF-OCCSQVGLSA-N 1 3 218.344 2.388 10 0 BEAEHO CC[C@]1(N)CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000575562205 387701513 /nfs/dbraw/zinc/70/15/13/387701513.db2.gz ZHXPTTZXIIJRLF-OCCSQVGLSA-N 1 3 218.344 2.388 10 0 BEAEHO C[C@H](N[C@H]1CCCC(F)(F)C1)[C@H]1CC[NH2+]C1 ZINC000422986869 387796291 /nfs/dbraw/zinc/79/62/91/387796291.db2.gz DNMLHUYUVHPUKP-DCAQKATOSA-N 1 3 232.318 2.152 10 0 BEAEHO C([NH2+]C1CCNCC1)[C@H]1CC2CCC1CC2 ZINC000335077909 388448744 /nfs/dbraw/zinc/44/87/44/388448744.db2.gz PXMJIOYUUJORNV-WXRRBKDZSA-N 1 3 222.376 2.154 10 0 BEAEHO CC(C)C1(C[NH2+][C@@H](C)[C@H]2CCCNC2)CC1 ZINC000517229945 388543373 /nfs/dbraw/zinc/54/33/73/388543373.db2.gz MWSLNMXKRAGYSQ-STQMWFEESA-N 1 3 224.392 2.400 10 0 BEAEHO C([NH2+][C@@H]1CCNC1)C(C1CCC1)C1CCC1 ZINC000530212071 388627766 /nfs/dbraw/zinc/62/77/66/388627766.db2.gz OGTXWUADSFCCET-CYBMUJFWSA-N 1 3 222.376 2.154 10 0 BEAEHO C[C@@H](NCC1=CCCCC1)[C@@H]1CC[NH2+]C1 ZINC000400697977 533365091 /nfs/dbraw/zinc/36/50/91/533365091.db2.gz JMJYFPGMEWBMPI-DGCLKSJQSA-N 1 3 208.349 2.074 10 0 BEAEHO C[C@@H](NCCCc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400349967 533390586 /nfs/dbraw/zinc/39/05/86/533390586.db2.gz JQDXIKDVXFAYKC-UKRRQHHQSA-N 1 3 232.371 2.207 10 0 BEAEHO C[C@@H](NC[C@@H](C)c1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400396412 533410221 /nfs/dbraw/zinc/41/02/21/533410221.db2.gz JMJQZLZYFZJXHZ-UMVBOHGHSA-N 1 3 232.371 2.378 10 0 BEAEHO CC(C)(C)N1CCN(c2ccccc2C[NH3+])CC1 ZINC000020266272 132330706 /nfs/dbraw/zinc/33/07/06/132330706.db2.gz QYAJDXZYFVATCJ-UHFFFAOYSA-N 1 3 247.386 2.066 10 0 BEAEHO c1cc(N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)ccn1 ZINC000037918253 132345871 /nfs/dbraw/zinc/34/58/71/132345871.db2.gz ZWMRAEZOZCGGPE-OCCSQVGLSA-N 1 3 231.343 2.050 10 0 BEAEHO CC[NH2+]C[C@@H]1CCCCN1c1ccncc1 ZINC000053698236 132363144 /nfs/dbraw/zinc/36/31/44/132363144.db2.gz IDYAQSAFHZRFAS-ZDUSSCGKSA-N 1 3 219.332 2.050 10 0 BEAEHO CCCCN1CC[C@H]([NH2+]C2CC2)[C@@H](C)C1 ZINC000226858740 134370229 /nfs/dbraw/zinc/37/02/29/134370229.db2.gz VFTKUGRNJDBQKJ-AAEUAGOBSA-N 1 3 210.365 2.249 10 0 BEAEHO CCCC[N@@H+]1CC[C@H](NC2CC2)[C@@H](C)C1 ZINC000226858740 134370230 /nfs/dbraw/zinc/37/02/30/134370230.db2.gz VFTKUGRNJDBQKJ-AAEUAGOBSA-N 1 3 210.365 2.249 10 0 BEAEHO CCCC[N@H+]1CC[C@H](NC2CC2)[C@@H](C)C1 ZINC000226858740 134370231 /nfs/dbraw/zinc/37/02/31/134370231.db2.gz VFTKUGRNJDBQKJ-AAEUAGOBSA-N 1 3 210.365 2.249 10 0 BEAEHO NC[C@@H]1CC[N@H+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC000261533067 135163970 /nfs/dbraw/zinc/16/39/70/135163970.db2.gz DMMMVAOWGRTAIL-MNOVXSKESA-N 1 3 232.318 2.093 10 0 BEAEHO NC[C@@H]1CC[N@@H+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC000261533067 135163971 /nfs/dbraw/zinc/16/39/71/135163971.db2.gz DMMMVAOWGRTAIL-MNOVXSKESA-N 1 3 232.318 2.093 10 0 BEAEHO [NH3+]C[C@@H]1CCN(C[C@@H]2CCCC(F)(F)C2)C1 ZINC000261533067 135163972 /nfs/dbraw/zinc/16/39/72/135163972.db2.gz DMMMVAOWGRTAIL-MNOVXSKESA-N 1 3 232.318 2.093 10 0 BEAEHO C[C@]1(CN)CC[N@H+](C[C@H]2CCCC(F)(F)C2)C1 ZINC000261538257 135175570 /nfs/dbraw/zinc/17/55/70/135175570.db2.gz UNHYWDSVERHZFX-NWDGAFQWSA-N 1 3 246.345 2.483 10 0 BEAEHO C[C@]1(CN)CC[N@@H+](C[C@H]2CCCC(F)(F)C2)C1 ZINC000261538257 135175571 /nfs/dbraw/zinc/17/55/71/135175571.db2.gz UNHYWDSVERHZFX-NWDGAFQWSA-N 1 3 246.345 2.483 10 0 BEAEHO [NH3+][C@@H]1CC[C@H]2CN(C/C=C/c3ccccc3)C[C@@H]12 ZINC000261589263 135230165 /nfs/dbraw/zinc/23/01/65/135230165.db2.gz WEYFXHHMOUYZGT-LXTZQOSWSA-N 1 3 242.366 2.369 10 0 BEAEHO [NH3+][C@@H]1CC[C@H]2CN(C/C=C/c3ccccc3)C[C@H]12 ZINC000261589265 135230470 /nfs/dbraw/zinc/23/04/70/135230470.db2.gz WEYFXHHMOUYZGT-UKWPMUSOSA-N 1 3 242.366 2.369 10 0 BEAEHO C[C@]1(CN2CCCC3(CCC3)C2)CC[NH2+]C1 ZINC000262053808 135277228 /nfs/dbraw/zinc/27/72/28/135277228.db2.gz QMMQNKPGITWMGY-ZDUSSCGKSA-N 1 3 222.376 2.252 10 0 BEAEHO Cc1ccsc1CNC(C)(C)CC[NH3+] ZINC000258819225 322876743 /nfs/dbraw/zinc/87/67/43/322876743.db2.gz LHMOYGPJAJSGPT-UHFFFAOYSA-N 1 3 212.362 2.274 10 0 BEAEHO CC(C)[NH2+]C[C@H]1CCN(C2CCCC2)C1 ZINC000053012540 167114846 /nfs/dbraw/zinc/11/48/46/167114846.db2.gz WGJRLQSDNXREOY-GFCCVEGCSA-N 1 3 210.365 2.249 10 0 BEAEHO CC(C)C[NH2+]CCC[C@H](C)N1CCO[C@@H](C)C1 ZINC000052382620 167003526 /nfs/dbraw/zinc/00/35/26/167003526.db2.gz VVKSTHPNDYXGAH-KBPBESRZSA-N 1 3 242.407 2.121 10 0 BEAEHO CC(C)[NH2+]Cc1ccc(CN2CCCC2)o1 ZINC000045205592 167119178 /nfs/dbraw/zinc/11/91/78/167119178.db2.gz RSXZUJGPIXNCLV-UHFFFAOYSA-N 1 3 222.332 2.373 10 0 BEAEHO CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]CCCN ZINC000037713123 167482690 /nfs/dbraw/zinc/48/26/90/167482690.db2.gz VKULFCBPUSIAEE-JHJVBQTASA-N 1 3 212.381 2.386 10 0 BEAEHO CC1CCC([N@@H+]2CCCNC[C@@H](C)C2)CC1 ZINC000049665444 168159148 /nfs/dbraw/zinc/15/91/48/168159148.db2.gz YWIXDRFLWVOTHD-ROKHWSDSSA-N 1 3 224.392 2.497 10 0 BEAEHO CC1CCC([N@H+]2CCCNC[C@@H](C)C2)CC1 ZINC000049665444 168159150 /nfs/dbraw/zinc/15/91/50/168159150.db2.gz YWIXDRFLWVOTHD-ROKHWSDSSA-N 1 3 224.392 2.497 10 0 BEAEHO CC1CCC([NH+]2CCCNCCC2)CC1 ZINC000049665452 168159931 /nfs/dbraw/zinc/15/99/31/168159931.db2.gz UBPZFXXMDOLTPW-UHFFFAOYSA-N 1 3 210.365 2.251 10 0 BEAEHO CCC(C)(C)[N@H+]1[C@@H]2CC[C@H]1CC(NC)C2 ZINC000054626534 168287990 /nfs/dbraw/zinc/28/79/90/168287990.db2.gz LNZOOLLBJKYZLY-YOGCLGLASA-N 1 3 210.365 2.390 10 0 BEAEHO CCC(C)(C)[N@@H+]1[C@@H]2CC[C@H]1CC(NC)C2 ZINC000054626534 168287993 /nfs/dbraw/zinc/28/79/93/168287993.db2.gz LNZOOLLBJKYZLY-YOGCLGLASA-N 1 3 210.365 2.390 10 0 BEAEHO CCN1CC[C@H]([N@H+](C)Cc2cccnc2)[C@H](C)C1 ZINC000125744914 170019549 /nfs/dbraw/zinc/01/95/49/170019549.db2.gz AICNSSLIIGHRCQ-HIFRSBDPSA-N 1 3 247.386 2.244 10 0 BEAEHO CCN1CC[C@H]([N@@H+](C)Cc2cccnc2)[C@H](C)C1 ZINC000125744914 170019550 /nfs/dbraw/zinc/01/95/50/170019550.db2.gz AICNSSLIIGHRCQ-HIFRSBDPSA-N 1 3 247.386 2.244 10 0 BEAEHO CC[NH2+]C[C@@H](C)CN(C)CC1CCCC1 ZINC000069625400 170119489 /nfs/dbraw/zinc/11/94/89/170119489.db2.gz WJBMXZHIVRNCJQ-GFCCVEGCSA-N 1 3 212.381 2.354 10 0 BEAEHO CC[NH2+]C[C@@H](C)CN1CCC(C)(C)CC1 ZINC000061822665 170118710 /nfs/dbraw/zinc/11/87/10/170118710.db2.gz GNEUGHRFUJUVEY-GFCCVEGCSA-N 1 3 212.381 2.354 10 0 BEAEHO CCNC[C@@H](C)C[N@@H+](C)CC1CCCC1 ZINC000069625400 170119487 /nfs/dbraw/zinc/11/94/87/170119487.db2.gz WJBMXZHIVRNCJQ-GFCCVEGCSA-N 1 3 212.381 2.354 10 0 BEAEHO CCNC[C@@H](C)C[N@H+](C)CC1CCCC1 ZINC000069625400 170119485 /nfs/dbraw/zinc/11/94/85/170119485.db2.gz WJBMXZHIVRNCJQ-GFCCVEGCSA-N 1 3 212.381 2.354 10 0 BEAEHO CCNC[C@@H]1CC[N@@H+](C2CCC(C)CC2)C1 ZINC000053012855 170119671 /nfs/dbraw/zinc/11/96/71/170119671.db2.gz CFBGFSKZQSAQNH-MOKVOYLWSA-N 1 3 224.392 2.497 10 0 BEAEHO CCNC[C@@H]1CC[N@H+](C2CCC(C)CC2)C1 ZINC000053012855 170119672 /nfs/dbraw/zinc/11/96/72/170119672.db2.gz CFBGFSKZQSAQNH-MOKVOYLWSA-N 1 3 224.392 2.497 10 0 BEAEHO CCNC[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000053012600 170122557 /nfs/dbraw/zinc/12/25/57/170122557.db2.gz IYBUQTNWSLPDKC-GFCCVEGCSA-N 1 3 210.365 2.251 10 0 BEAEHO CCNC[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000053012600 170122559 /nfs/dbraw/zinc/12/25/59/170122559.db2.gz IYBUQTNWSLPDKC-GFCCVEGCSA-N 1 3 210.365 2.251 10 0 BEAEHO CC[NH2+]Cc1ccc(CN2CCCC2)s1 ZINC000045206492 170126186 /nfs/dbraw/zinc/12/61/86/170126186.db2.gz QIOGRRNQJDZCQN-UHFFFAOYSA-N 1 3 224.373 2.453 10 0 BEAEHO CCNCc1ccccc1OCCC[NH+](C)C ZINC000033434450 170129306 /nfs/dbraw/zinc/12/93/06/170129306.db2.gz ULJPMYVJYUSGLG-UHFFFAOYSA-N 1 3 236.359 2.127 10 0 BEAEHO CCNCc1ccccc1OCC[N@H+](C)CC ZINC000052446079 170129331 /nfs/dbraw/zinc/12/93/31/170129331.db2.gz SMGHDJSKEJSYNR-UHFFFAOYSA-N 1 3 236.359 2.127 10 0 BEAEHO CCNCc1ccccc1OCC[N@@H+](C)CC ZINC000052446079 170129333 /nfs/dbraw/zinc/12/93/33/170129333.db2.gz SMGHDJSKEJSYNR-UHFFFAOYSA-N 1 3 236.359 2.127 10 0 BEAEHO CC[NH2+][C@@H]1CCN(C2CCCC2)C[C@@H]1C ZINC000049709044 170151339 /nfs/dbraw/zinc/15/13/39/170151339.db2.gz YEKSWNLCIDVODY-WCQYABFASA-N 1 3 210.365 2.249 10 0 BEAEHO CC[NH2+][C@H]1CCC[C@@H]1CN1CCC(C)CC1 ZINC000053860878 170167357 /nfs/dbraw/zinc/16/73/57/170167357.db2.gz HORDZPUCDIFSBL-KGLIPLIRSA-N 1 3 224.392 2.497 10 0 BEAEHO CCOCCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+]C ZINC000104192037 170394302 /nfs/dbraw/zinc/39/43/02/170394302.db2.gz JVOAQMPVTZAWJQ-KBPBESRZSA-N 1 3 242.407 2.123 10 0 BEAEHO CCOCC[N@H+](CC)[C@@H]1C[C@H](C)CC[C@@H]1CN ZINC000104193171 170396790 /nfs/dbraw/zinc/39/67/90/170396790.db2.gz JLFOSFATHGPRPX-MGPQQGTHSA-N 1 3 242.407 2.108 10 0 BEAEHO CCOCC[N@@H+](CC)[C@@H]1C[C@H](C)CC[C@@H]1CN ZINC000104193171 170396792 /nfs/dbraw/zinc/39/67/92/170396792.db2.gz JLFOSFATHGPRPX-MGPQQGTHSA-N 1 3 242.407 2.108 10 0 BEAEHO CC(C)=CCC[N@@H+](C)[C@H]1CCCNCC1 ZINC000662267366 412060625 /nfs/dbraw/zinc/06/06/25/412060625.db2.gz UXTPSJBIZWRZIN-ZDUSSCGKSA-N 1 3 210.365 2.417 10 0 BEAEHO CC(C)=CCC[N@H+](C)[C@H]1CCCNCC1 ZINC000662267366 412060626 /nfs/dbraw/zinc/06/06/26/412060626.db2.gz UXTPSJBIZWRZIN-ZDUSSCGKSA-N 1 3 210.365 2.417 10 0 BEAEHO CC(C)=CCCN(C)[C@H]1CCC[NH2+]CC1 ZINC000662267366 412060629 /nfs/dbraw/zinc/06/06/29/412060629.db2.gz UXTPSJBIZWRZIN-ZDUSSCGKSA-N 1 3 210.365 2.417 10 0 BEAEHO CC[C@@H]1CC[C@@H](CN)[C@H]([N@H+](C)CCCOC)C1 ZINC000062029618 171041073 /nfs/dbraw/zinc/04/10/73/171041073.db2.gz SSJQXAJLUJDSAW-HZSPNIEDSA-N 1 3 242.407 2.108 10 0 BEAEHO CC[C@@H]1CC[C@@H](CN)[C@H]([N@@H+](C)CCCOC)C1 ZINC000062029618 171041076 /nfs/dbraw/zinc/04/10/76/171041076.db2.gz SSJQXAJLUJDSAW-HZSPNIEDSA-N 1 3 242.407 2.108 10 0 BEAEHO CC[C@@H]1CO[C@H](C)CN1CCC[C@@H]1CCC[NH2+]1 ZINC000052764414 171111943 /nfs/dbraw/zinc/11/19/43/171111943.db2.gz OKSRYDVXAIYHHG-HZSPNIEDSA-N 1 3 240.391 2.018 10 0 BEAEHO CC[C@H](C)N(C)Cc1ccc(F)cc1C(N)=[NH2+] ZINC000071267640 171308207 /nfs/dbraw/zinc/30/82/07/171308207.db2.gz PQKVKCDIFKJNHZ-VIFPVBQESA-N 1 3 237.322 2.340 10 0 BEAEHO CC[C@H](C)N(CCOC)CC1(C[NH3+])CCCC1 ZINC000051256531 171314754 /nfs/dbraw/zinc/31/47/54/171314754.db2.gz GWFHZIRQLKVAJN-ZDUSSCGKSA-N 1 3 242.407 2.252 10 0 BEAEHO C[C@H]([NH2+]C[C@@]1(C)CC1(F)F)[C@@H]1CCCNC1 ZINC000665265674 412208536 /nfs/dbraw/zinc/20/85/36/412208536.db2.gz ZAXVZOXMGIZBLA-HBNTYKKESA-N 1 3 232.318 2.009 10 0 BEAEHO C[C@H](NC[C@@]1(C)CC1(F)F)[C@@H]1CCC[NH2+]C1 ZINC000665265674 412208538 /nfs/dbraw/zinc/20/85/38/412208538.db2.gz ZAXVZOXMGIZBLA-HBNTYKKESA-N 1 3 232.318 2.009 10 0 BEAEHO CN1CCC([C@@H]([NH3+])c2cccs2)CC1 ZINC000077304303 173000171 /nfs/dbraw/zinc/00/01/71/173000171.db2.gz CCKSRDNMDRAWOW-LLVKDONJSA-N 1 3 210.346 2.090 10 0 BEAEHO COC1CC[NH+]([C@H]2CCCCC[C@@H]2CN)CC1 ZINC000037265712 174031068 /nfs/dbraw/zinc/03/10/68/174031068.db2.gz FIRASDISUBELDJ-OCCSQVGLSA-N 1 3 240.391 2.005 10 0 BEAEHO COC1CCN([C@]2(C[NH3+])CCC[C@@H](C)C2)CC1 ZINC000037265981 174031925 /nfs/dbraw/zinc/03/19/25/174031925.db2.gz BKRRVUJICLAIMI-TZMCWYRMSA-N 1 3 240.391 2.005 10 0 BEAEHO COCC[N@H+](CC(C)C)[C@H]1CCCC[C@@H]1CN ZINC000042367657 174287032 /nfs/dbraw/zinc/28/70/32/174287032.db2.gz QKDOEPZNOIORCN-KGLIPLIRSA-N 1 3 242.407 2.108 10 0 BEAEHO COCC[N@@H+](CC(C)C)[C@H]1CCCC[C@@H]1CN ZINC000042367657 174287035 /nfs/dbraw/zinc/28/70/35/174287035.db2.gz QKDOEPZNOIORCN-KGLIPLIRSA-N 1 3 242.407 2.108 10 0 BEAEHO COc1cccc(CN(C)CCCCC(N)=[NH2+])c1 ZINC000049579783 175255911 /nfs/dbraw/zinc/25/59/11/175255911.db2.gz SXKQMEQTEQLNPW-UHFFFAOYSA-N 1 3 249.358 2.233 10 0 BEAEHO C[C@@H]1CCCCN1Cc1cc(C[NH3+])co1 ZINC000052378900 176073537 /nfs/dbraw/zinc/07/35/37/176073537.db2.gz GUGTXAPYCDSAJB-SNVBAGLBSA-N 1 3 208.305 2.113 10 0 BEAEHO C[C@@H]1CCC[C@@H]([NH+]2CCC(N)CC2)[C@@H]1C ZINC000019479426 176120868 /nfs/dbraw/zinc/12/08/68/176120868.db2.gz RWWYMGPURNNWNQ-NQBHXWOUSA-N 1 3 210.365 2.234 10 0 BEAEHO C[C@@H]1CCC[C@H]([NH+]2CCCNCCC2)C1 ZINC000049665917 176140966 /nfs/dbraw/zinc/14/09/66/176140966.db2.gz YLBNJPUCWCPLDD-OLZOCXBDSA-N 1 3 210.365 2.251 10 0 BEAEHO C[C@@H]1CC[N@@H+]([C@@H](CCN)c2ccccc2)C1 ZINC000055016300 176180520 /nfs/dbraw/zinc/18/05/20/176180520.db2.gz LLFVZNSTAWNKAJ-OCCSQVGLSA-N 1 3 218.344 2.418 10 0 BEAEHO C[C@@H]1CC[N@H+]([C@@H](CCN)c2ccccc2)C1 ZINC000055016300 176180521 /nfs/dbraw/zinc/18/05/21/176180521.db2.gz LLFVZNSTAWNKAJ-OCCSQVGLSA-N 1 3 218.344 2.418 10 0 BEAEHO C[C@@H]1CC[C@H](C[NH3+])CN1Cc1cccs1 ZINC000042427265 176224588 /nfs/dbraw/zinc/22/45/88/176224588.db2.gz UULKCNKNLCNSLY-GHMZBOCLSA-N 1 3 224.373 2.307 10 0 BEAEHO C[C@@H]1CN(Cc2ccccc2)[C@H](C)C[C@H]1[NH3+] ZINC000068592723 176305418 /nfs/dbraw/zinc/30/54/18/176305418.db2.gz NJDHZADSNKQAJW-YRGRVCCFSA-N 1 3 218.344 2.244 10 0 BEAEHO C[C@@H]1C[C@@H](C)CN(CC[C@@H]2CCC[NH2+]2)C1 ZINC000042171884 176362266 /nfs/dbraw/zinc/36/22/66/176362266.db2.gz VGNQZVZHQGPECK-UPJWGTAASA-N 1 3 210.365 2.106 10 0 BEAEHO C[C@@H]1C[C@@H](N(C)CCc2ccncc2)CC[N@@H+]1C ZINC000123547320 176371701 /nfs/dbraw/zinc/37/17/01/176371701.db2.gz NBTYWYMYSVOWHV-HIFRSBDPSA-N 1 3 247.386 2.039 10 0 BEAEHO C[C@@H]1C[C@@H](N(C)CCc2ccncc2)CC[N@H+]1C ZINC000123547320 176371702 /nfs/dbraw/zinc/37/17/02/176371702.db2.gz NBTYWYMYSVOWHV-HIFRSBDPSA-N 1 3 247.386 2.039 10 0 BEAEHO C[C@H]1C[NH2+]C[C@H](C)CN(Cc2ccccc2)C1 ZINC000049664212 177285290 /nfs/dbraw/zinc/28/52/90/177285290.db2.gz CPQBZFAVDHALIR-KBPBESRZSA-N 1 3 232.371 2.364 10 0 BEAEHO C[C@H]1C[C@H](C)C[NH+](C[C@@H]2CCC[C@@H]2N)C1 ZINC000053860469 177358968 /nfs/dbraw/zinc/35/89/68/177358968.db2.gz JCMILBPCTUUGHV-CYDGBPFRSA-N 1 3 210.365 2.092 10 0 BEAEHO C[C@H]1C[C@H](C)C[NH+](C[C@@H]2CCCC[C@@H]2N)C1 ZINC000058081415 177358996 /nfs/dbraw/zinc/35/89/96/177358996.db2.gz BPBXBTIVPVRTCY-XUXIUFHCSA-N 1 3 224.392 2.482 10 0 BEAEHO C[C@@H]1CN(Cc2ccccc2)[C@@H](C)C[C@@H]1[NH3+] ZINC000068592720 177364989 /nfs/dbraw/zinc/36/49/89/177364989.db2.gz NJDHZADSNKQAJW-DYEKYZERSA-N 1 3 218.344 2.244 10 0 BEAEHO C[C@@H]1[C@@H](C)C[C@H](N)C[N@@H+]1Cc1ccccc1 ZINC000068593182 177365517 /nfs/dbraw/zinc/36/55/17/177365517.db2.gz NVIRYIHNKWLTFW-SCRDCRAPSA-N 1 3 218.344 2.244 10 0 BEAEHO C[C@@H]1[C@@H](C)C[C@H](N)C[N@H+]1Cc1ccccc1 ZINC000068593182 177365518 /nfs/dbraw/zinc/36/55/18/177365518.db2.gz NVIRYIHNKWLTFW-SCRDCRAPSA-N 1 3 218.344 2.244 10 0 BEAEHO Cc1ccsc1CN[C@H](C)[C@H]1CC[NH2+]C1 ZINC000400327496 226340898 /nfs/dbraw/zinc/34/08/98/226340898.db2.gz BVNSXMXETVDCOM-MNOVXSKESA-N 1 3 224.373 2.144 10 0 BEAEHO C[C@H](CCc1ccco1)[NH2+][C@@H]1CCC[C@H]1CN ZINC000251121972 487748641 /nfs/dbraw/zinc/74/86/41/487748641.db2.gz RHCJYCKPJRMLCA-MBNYWOFBSA-N 1 3 236.359 2.318 10 0 BEAEHO CC(C)[C@@H](C)[N@@H+](C)CC[C@H](N)C(C)C ZINC000252684160 487755572 /nfs/dbraw/zinc/75/55/72/487755572.db2.gz FZWFNVUGOHWPIL-NEPJUHHUSA-N 1 3 200.370 2.336 10 0 BEAEHO CC(C)[C@@H](C)[N@H+](C)CC[C@H](N)C(C)C ZINC000252684160 487755573 /nfs/dbraw/zinc/75/55/73/487755573.db2.gz FZWFNVUGOHWPIL-NEPJUHHUSA-N 1 3 200.370 2.336 10 0 BEAEHO FCCCN1CCC(C[NH+]2CCCC2)CC1 ZINC000121398294 487857457 /nfs/dbraw/zinc/85/74/57/487857457.db2.gz SSAZYFUHTFYPRJ-UHFFFAOYSA-N 1 3 228.355 2.154 10 0 BEAEHO C[C@H](CC1CCC1)[NH2+][C@H]1CCC[C@@H]1CN ZINC000666743703 487869457 /nfs/dbraw/zinc/86/94/57/487869457.db2.gz OUARPOHTBFNGAH-RTXFEEFZSA-N 1 3 210.365 2.282 10 0 BEAEHO CC(C)SCCN[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000571669327 323177112 /nfs/dbraw/zinc/17/71/12/323177112.db2.gz GNAFTAHDJRBWNB-VXGBXAGGSA-N 1 3 230.421 2.106 10 0 BEAEHO CC(C)SCC[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000571669327 323177113 /nfs/dbraw/zinc/17/71/13/323177113.db2.gz GNAFTAHDJRBWNB-VXGBXAGGSA-N 1 3 230.421 2.106 10 0 BEAEHO CCC(F)(F)C(C)(C)C[NH2+]C1CCNCC1 ZINC000530221076 323218579 /nfs/dbraw/zinc/21/85/79/323218579.db2.gz WOPKGWJFFHNGKH-UHFFFAOYSA-N 1 3 234.334 2.400 10 0 BEAEHO CCC(F)(F)C(C)(C)CNC1CC[NH2+]CC1 ZINC000530221076 323218582 /nfs/dbraw/zinc/21/85/82/323218582.db2.gz WOPKGWJFFHNGKH-UHFFFAOYSA-N 1 3 234.334 2.400 10 0 BEAEHO C[C@H](CCC1CC1)[NH2+][C@@H]1CCC[C@H]1CN ZINC000398074219 324216867 /nfs/dbraw/zinc/21/68/67/324216867.db2.gz KKKPFGNLGQAELN-KGYLQXTDSA-N 1 3 210.365 2.282 10 0 BEAEHO c1ccc2c(c1)C[C@@H]2C[NH2+][C@@H]1CCCNCC1 ZINC000129114891 488046095 /nfs/dbraw/zinc/04/60/95/488046095.db2.gz NEOXQYHWGPUPDI-ZIAGYGMSSA-N 1 3 230.355 2.058 10 0 BEAEHO c1ccc2c(c1)C[C@@H]2CN[C@@H]1CCC[NH2+]CC1 ZINC000129114891 488046097 /nfs/dbraw/zinc/04/60/97/488046097.db2.gz NEOXQYHWGPUPDI-ZIAGYGMSSA-N 1 3 230.355 2.058 10 0 BEAEHO CC(C)[C@H](N)CC[N@H+](C)[C@@H](C)C(C)C ZINC000227731475 487504855 /nfs/dbraw/zinc/50/48/55/487504855.db2.gz FZWFNVUGOHWPIL-NWDGAFQWSA-N 1 3 200.370 2.336 10 0 BEAEHO CC(C)[C@H](N)CC[N@@H+](C)[C@@H](C)C(C)C ZINC000227731475 487504857 /nfs/dbraw/zinc/50/48/57/487504857.db2.gz FZWFNVUGOHWPIL-NWDGAFQWSA-N 1 3 200.370 2.336 10 0 BEAEHO C[C@H]1NCCC[C@]12CCC[N@@H+]2CC1CC1 ZINC000757126570 582501666 /nfs/dbraw/zinc/50/16/66/582501666.db2.gz GCQOXTAZGKOREY-YPMHNXCESA-N 1 3 208.349 2.003 10 0 BEAEHO C[C@H]1NCCC[C@]12CCC[N@H+]2CC1CC1 ZINC000757126570 582501667 /nfs/dbraw/zinc/50/16/67/582501667.db2.gz GCQOXTAZGKOREY-YPMHNXCESA-N 1 3 208.349 2.003 10 0 BEAEHO C[C@H]1[NH2+]CCC[C@]12CCCN2CC1CC1 ZINC000757126570 582501669 /nfs/dbraw/zinc/50/16/69/582501669.db2.gz GCQOXTAZGKOREY-YPMHNXCESA-N 1 3 208.349 2.003 10 0 BEAEHO C[C@@H](C1CC1)[N@@H+]1CCC[C@]12CC[C@@H](C)NC2 ZINC000757126379 582501697 /nfs/dbraw/zinc/50/16/97/582501697.db2.gz FLJVLYOOVHKRJL-MBNYWOFBSA-N 1 3 222.376 2.391 10 0 BEAEHO C[C@@H](C1CC1)[N@H+]1CCC[C@]12CC[C@@H](C)NC2 ZINC000757126379 582501698 /nfs/dbraw/zinc/50/16/98/582501698.db2.gz FLJVLYOOVHKRJL-MBNYWOFBSA-N 1 3 222.376 2.391 10 0 BEAEHO C[C@@H](C1CC1)N1CCC[C@]12CC[C@@H](C)[NH2+]C2 ZINC000757126379 582501699 /nfs/dbraw/zinc/50/16/99/582501699.db2.gz FLJVLYOOVHKRJL-MBNYWOFBSA-N 1 3 222.376 2.391 10 0 BEAEHO C[C@@H](C1CC1)[N@@H+]1CCC[C@@]12CC[C@@H](C)NC2 ZINC000757126375 582501714 /nfs/dbraw/zinc/50/17/14/582501714.db2.gz FLJVLYOOVHKRJL-DYEKYZERSA-N 1 3 222.376 2.391 10 0 BEAEHO C[C@@H](C1CC1)[N@H+]1CCC[C@@]12CC[C@@H](C)NC2 ZINC000757126375 582501715 /nfs/dbraw/zinc/50/17/15/582501715.db2.gz FLJVLYOOVHKRJL-DYEKYZERSA-N 1 3 222.376 2.391 10 0 BEAEHO C[C@@H](C1CC1)N1CCC[C@@]12CC[C@@H](C)[NH2+]C2 ZINC000757126375 582501717 /nfs/dbraw/zinc/50/17/17/582501717.db2.gz FLJVLYOOVHKRJL-DYEKYZERSA-N 1 3 222.376 2.391 10 0 BEAEHO CC(C)CC[N@@H+]1CCC[C@]12CNC[C@@H](C)C2 ZINC000757127975 582503107 /nfs/dbraw/zinc/50/31/07/582503107.db2.gz IKGITYXQIRLARY-KBPBESRZSA-N 1 3 224.392 2.497 10 0 BEAEHO CC(C)CC[N@H+]1CCC[C@]12CNC[C@@H](C)C2 ZINC000757127975 582503110 /nfs/dbraw/zinc/50/31/10/582503110.db2.gz IKGITYXQIRLARY-KBPBESRZSA-N 1 3 224.392 2.497 10 0 BEAEHO CC(C)CCN1CCC[C@]12C[NH2+]C[C@@H](C)C2 ZINC000757127975 582503112 /nfs/dbraw/zinc/50/31/12/582503112.db2.gz IKGITYXQIRLARY-KBPBESRZSA-N 1 3 224.392 2.497 10 0 BEAEHO C[C@H](NC[C@H]1CCCCC1(F)F)[C@H]1CC[NH2+]C1 ZINC000400391877 533904654 /nfs/dbraw/zinc/90/46/54/533904654.db2.gz NMOSNFXIAQIZTQ-SDDRHHMPSA-N 1 3 246.345 2.400 10 0 BEAEHO CC(C)C[N@@H+]1CCC[C@@]12CCCN[C@H]2C ZINC000757124310 582499208 /nfs/dbraw/zinc/49/92/08/582499208.db2.gz CFOLKHFBJXSDBV-QWHCGFSZSA-N 1 3 210.365 2.249 10 0 BEAEHO CC(C)C[N@H+]1CCC[C@@]12CCCN[C@H]2C ZINC000757124310 582499210 /nfs/dbraw/zinc/49/92/10/582499210.db2.gz CFOLKHFBJXSDBV-QWHCGFSZSA-N 1 3 210.365 2.249 10 0 BEAEHO CC(C)CN1CCC[C@@]12CCC[NH2+][C@H]2C ZINC000757124310 582499212 /nfs/dbraw/zinc/49/92/12/582499212.db2.gz CFOLKHFBJXSDBV-QWHCGFSZSA-N 1 3 210.365 2.249 10 0 BEAEHO CC(C)CN1CCC[C@@]12CC[C@H](C)[NH2+]C2 ZINC000757124093 582499382 /nfs/dbraw/zinc/49/93/82/582499382.db2.gz BUOKJDINPYODGE-STQMWFEESA-N 1 3 210.365 2.249 10 0 BEAEHO CC(C)C[N@@H+]1CCC[C@@]12CC[C@H](C)NC2 ZINC000757124093 582499384 /nfs/dbraw/zinc/49/93/84/582499384.db2.gz BUOKJDINPYODGE-STQMWFEESA-N 1 3 210.365 2.249 10 0 BEAEHO CC(C)C[N@H+]1CCC[C@@]12CC[C@H](C)NC2 ZINC000757124093 582499385 /nfs/dbraw/zinc/49/93/85/582499385.db2.gz BUOKJDINPYODGE-STQMWFEESA-N 1 3 210.365 2.249 10 0 BEAEHO COCC[C@H](C)[N@@H+]1CCC[C@@]12CCCN[C@@H]2C ZINC000757124077 582499412 /nfs/dbraw/zinc/49/94/12/582499412.db2.gz BOEAKVHLOUNOML-BFHYXJOUSA-N 1 3 240.391 2.018 10 0 BEAEHO COCC[C@H](C)[N@H+]1CCC[C@@]12CCCN[C@@H]2C ZINC000757124077 582499414 /nfs/dbraw/zinc/49/94/14/582499414.db2.gz BOEAKVHLOUNOML-BFHYXJOUSA-N 1 3 240.391 2.018 10 0 BEAEHO COCC[C@H](C)N1CCC[C@@]12CCC[NH2+][C@@H]2C ZINC000757124077 582499416 /nfs/dbraw/zinc/49/94/16/582499416.db2.gz BOEAKVHLOUNOML-BFHYXJOUSA-N 1 3 240.391 2.018 10 0 BEAEHO CCCCC[N@@H+]1CCCC12CCNCC2 ZINC000757135093 582513514 /nfs/dbraw/zinc/51/35/14/582513514.db2.gz YJHDJPHXNCLKLL-UHFFFAOYSA-N 1 3 210.365 2.395 10 0 BEAEHO CCCCC[N@H+]1CCCC12CCNCC2 ZINC000757135093 582513516 /nfs/dbraw/zinc/51/35/16/582513516.db2.gz YJHDJPHXNCLKLL-UHFFFAOYSA-N 1 3 210.365 2.395 10 0 BEAEHO CC(C)[C@@H](C)[N@@H+]1CCC[C@@]12CNC[C@@H](C)C2 ZINC000757134997 582514251 /nfs/dbraw/zinc/51/42/51/582514251.db2.gz XTUUDHBNECBTHM-BFHYXJOUSA-N 1 3 224.392 2.495 10 0 BEAEHO CC(C)[C@@H](C)[N@H+]1CCC[C@@]12CNC[C@@H](C)C2 ZINC000757134997 582514252 /nfs/dbraw/zinc/51/42/52/582514252.db2.gz XTUUDHBNECBTHM-BFHYXJOUSA-N 1 3 224.392 2.495 10 0 BEAEHO CC(C)[C@@H](C)N1CCC[C@@]12C[NH2+]C[C@@H](C)C2 ZINC000757134997 582514254 /nfs/dbraw/zinc/51/42/54/582514254.db2.gz XTUUDHBNECBTHM-BFHYXJOUSA-N 1 3 224.392 2.495 10 0 BEAEHO C[N@@H+]1CCC[C@]2(CC1)N[C@@H](C(C)(C)C)CCO2 ZINC000757141656 582522357 /nfs/dbraw/zinc/52/23/57/582522357.db2.gz PQRGPTKUGIKWPX-OCCSQVGLSA-N 1 3 240.391 2.223 10 0 BEAEHO C[N@H+]1CCC[C@]2(CC1)N[C@@H](C(C)(C)C)CCO2 ZINC000757141656 582522358 /nfs/dbraw/zinc/52/23/58/582522358.db2.gz PQRGPTKUGIKWPX-OCCSQVGLSA-N 1 3 240.391 2.223 10 0 BEAEHO CN1CCC[C@]2(CC1)[NH2+][C@@H](C(C)(C)C)CCO2 ZINC000757141656 582522360 /nfs/dbraw/zinc/52/23/60/582522360.db2.gz PQRGPTKUGIKWPX-OCCSQVGLSA-N 1 3 240.391 2.223 10 0 BEAEHO CC(C)C[N@@H+]1CCC[C@@]12CNC[C@@H](C)C2 ZINC000757133715 586427153 /nfs/dbraw/zinc/42/71/53/586427153.db2.gz UAOGOGXWNSLEPY-QWHCGFSZSA-N 1 3 210.365 2.106 10 0 BEAEHO CC(C)C[N@H+]1CCC[C@@]12CNC[C@@H](C)C2 ZINC000757133715 586427155 /nfs/dbraw/zinc/42/71/55/586427155.db2.gz UAOGOGXWNSLEPY-QWHCGFSZSA-N 1 3 210.365 2.106 10 0 BEAEHO CC(C)CN1CCC[C@@]12C[NH2+]C[C@@H](C)C2 ZINC000757133715 586427157 /nfs/dbraw/zinc/42/71/57/586427157.db2.gz UAOGOGXWNSLEPY-QWHCGFSZSA-N 1 3 210.365 2.106 10 0 BEAEHO Cc1ccc(N)cc1[C@@H]1N[C@H](C)C[C@H](C)[C@@H]1C[NH3+] ZINC000757228597 586442868 /nfs/dbraw/zinc/44/28/68/586442868.db2.gz DBGPZWHRPRLHOO-JLUCKKNBSA-N 1 3 247.386 2.211 10 0 BEAEHO Cc1ccc(N)cc1[C@@H]1N[C@H](C)C[C@@H](C)[C@H]1C[NH3+] ZINC000757228593 586442880 /nfs/dbraw/zinc/44/28/80/586442880.db2.gz DBGPZWHRPRLHOO-FKGLVLAHSA-N 1 3 247.386 2.211 10 0 BEAEHO CN(CCSC(F)(F)F)CC(C)(C)C[NH3+] ZINC000123628136 592714470 /nfs/dbraw/zinc/71/44/70/592714470.db2.gz NZAUFZUPMGONOR-UHFFFAOYSA-N 1 3 244.326 2.156 10 0 BEAEHO CC[C@H](C)[N@@H+]1CCC[C@]12CNC[C@@H](C)C2 ZINC000757132728 643257858 /nfs/dbraw/zinc/25/78/58/643257858.db2.gz RRODXZYTRSHGBL-AVGNSLFASA-N 1 3 210.365 2.249 10 0 BEAEHO CC[C@H](C)[N@H+]1CCC[C@]12CNC[C@@H](C)C2 ZINC000757132728 643257862 /nfs/dbraw/zinc/25/78/62/643257862.db2.gz RRODXZYTRSHGBL-AVGNSLFASA-N 1 3 210.365 2.249 10 0 BEAEHO CC[C@H](C)N1CCC[C@]12C[NH2+]C[C@@H](C)C2 ZINC000757132728 643257866 /nfs/dbraw/zinc/25/78/66/643257866.db2.gz RRODXZYTRSHGBL-AVGNSLFASA-N 1 3 210.365 2.249 10 0 BEAEHO [NH3+]C1CC(CNc2ccnc3ccccc32)C1 ZINC000091525115 644629334 /nfs/dbraw/zinc/62/93/34/644629334.db2.gz NRILAEBZYIJWLG-UHFFFAOYSA-N 1 3 227.311 2.384 10 0 BEAEHO CCC[C@H](C)C[NH2+]C[C@@H]1CCN(CC)C1 ZINC000037484261 712650836 /nfs/dbraw/zinc/65/08/36/712650836.db2.gz VUNBDXXBGGGNBL-STQMWFEESA-N 1 3 212.381 2.354 10 0 BEAEHO CCC[C@H](C)C[NH2+]C[C@H]1CCN(CC)C1 ZINC000037484263 712650974 /nfs/dbraw/zinc/65/09/74/712650974.db2.gz VUNBDXXBGGGNBL-QWHCGFSZSA-N 1 3 212.381 2.354 10 0 BEAEHO C1=CCC[C@H](C[NH2+][C@@H]2CCNC2)CCC1 ZINC000719107984 712797615 /nfs/dbraw/zinc/79/76/15/712797615.db2.gz ZFGXYEBPCHVXOQ-QWHCGFSZSA-N 1 3 208.349 2.074 10 0 BEAEHO CCN1CC[C@H]([NH3+])C12CCC(C)(C)CC2 ZINC000685955101 538900150 /nfs/dbraw/zinc/90/01/50/538900150.db2.gz SXJKNXOBSAGZPL-NSHDSACASA-N 1 3 210.365 2.378 10 0 BEAEHO CC(C)N(CC1CC1)C[C@@]1(C)CC[NH2+]C1 ZINC000062911954 349496371 /nfs/dbraw/zinc/49/63/71/349496371.db2.gz VOSYLBGQTHDAQA-ZDUSSCGKSA-N 1 3 210.365 2.106 10 0 BEAEHO [NH3+][C@H]1CCC[C@@]12CCN(Cc1ccccc1)C2 ZINC000071373386 398147887 /nfs/dbraw/zinc/14/78/87/398147887.db2.gz XSLBNUDXCRSMOS-GJZGRUSLSA-N 1 3 230.355 2.390 10 0 BEAEHO Cc1cc(N(C)C[C@@H](C)[NH3+])c2ccccc2n1 ZINC000104315366 178098340 /nfs/dbraw/zinc/09/83/40/178098340.db2.gz MTNJJRIEJYOSTN-SNVBAGLBSA-N 1 3 229.327 2.327 10 0 BEAEHO C[C@H]([NH2+]CC1CC(F)(F)C1)[C@H]1CCCNC1 ZINC000572868627 398203447 /nfs/dbraw/zinc/20/34/47/398203447.db2.gz UTZLIVYNSMQAFR-ONGXEEELSA-N 1 3 232.318 2.009 10 0 BEAEHO C[C@@H]([NH2+]CC1CC(F)(F)C1)[C@@H]1CCCNC1 ZINC000572868626 398203515 /nfs/dbraw/zinc/20/35/15/398203515.db2.gz UTZLIVYNSMQAFR-MWLCHTKSSA-N 1 3 232.318 2.009 10 0 BEAEHO CC(C)N(C)Cc1cc(F)cc(C[NH3+])c1 ZINC000162815246 538925293 /nfs/dbraw/zinc/92/52/93/538925293.db2.gz ZYMGJOAMHYRHHT-UHFFFAOYSA-N 1 3 210.296 2.125 10 0 BEAEHO CCC(CC)[N@H+](CCOC)[C@@H]1CC[C@H](C)NC1 ZINC000062948916 168376101 /nfs/dbraw/zinc/37/61/01/168376101.db2.gz MNDFKVJTEZDPIB-GXTWGEPZSA-N 1 3 242.407 2.264 10 0 BEAEHO CCC(CC)[N@@H+](CCOC)[C@@H]1CC[C@H](C)NC1 ZINC000062948916 168376102 /nfs/dbraw/zinc/37/61/02/168376102.db2.gz MNDFKVJTEZDPIB-GXTWGEPZSA-N 1 3 242.407 2.264 10 0 BEAEHO CCN(CCCC[NH3+])Cc1ccccc1OC ZINC000149498162 342794399 /nfs/dbraw/zinc/79/43/99/342794399.db2.gz KCEPDIRGJZDZIT-UHFFFAOYSA-N 1 3 236.359 2.256 10 0 BEAEHO CC(C)CC1(C[NH2+]C2CCNCC2)CC1 ZINC000391865933 259328384 /nfs/dbraw/zinc/32/83/84/259328384.db2.gz UMWSYAIHSHUYGL-UHFFFAOYSA-N 1 3 210.365 2.154 10 0 BEAEHO CC[C@@H](C[NH2+]C1CCNCC1)CC(F)(F)F ZINC000402663831 529489671 /nfs/dbraw/zinc/48/96/71/529489671.db2.gz LXHYQENXSLQAER-SECBINFHSA-N 1 3 238.297 2.307 10 0 BEAEHO C[C@H]([NH2+]C[C@]1(C)CCCS1)[C@H]1CCCNC1 ZINC000567642543 323034358 /nfs/dbraw/zinc/03/43/58/323034358.db2.gz STPJWAWPMBDMTB-AVGNSLFASA-N 1 3 242.432 2.250 10 0 BEAEHO CC(C)[N@@H+]1CC[C@H](CNc2ccncc2)C1 ZINC000040624140 187264305 /nfs/dbraw/zinc/26/43/05/187264305.db2.gz LULGXHHEFHRZCP-GFCCVEGCSA-N 1 3 219.332 2.224 10 0 BEAEHO CC(C)[N@H+]1CC[C@H](CNc2ccncc2)C1 ZINC000040624140 187264306 /nfs/dbraw/zinc/26/43/06/187264306.db2.gz LULGXHHEFHRZCP-GFCCVEGCSA-N 1 3 219.332 2.224 10 0 BEAEHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC2CC2)C1 ZINC000037478513 537819823 /nfs/dbraw/zinc/81/98/23/537819823.db2.gz IENRIPWVIMJNFD-TXEJJXNPSA-N 1 3 210.365 2.106 10 0 BEAEHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC2CC2)C1 ZINC000037478513 537819831 /nfs/dbraw/zinc/81/98/31/537819831.db2.gz IENRIPWVIMJNFD-TXEJJXNPSA-N 1 3 210.365 2.106 10 0 BEAEHO C[C@@H]1C[C@H](C)CN(CCC[NH2+]C2CC2)C1 ZINC000037478513 537819836 /nfs/dbraw/zinc/81/98/36/537819836.db2.gz IENRIPWVIMJNFD-TXEJJXNPSA-N 1 3 210.365 2.106 10 0 BEAEHO C[C@@H]1CCC[C@@H](C)[NH+]1CCCNC1CC1 ZINC000037478529 537819989 /nfs/dbraw/zinc/81/99/89/537819989.db2.gz XBYIFMKFUHTDTK-VXGBXAGGSA-N 1 3 210.365 2.391 10 0 BEAEHO C[C@@H]1CCC[C@@H](C)N1CCC[NH2+]C1CC1 ZINC000037478529 537819997 /nfs/dbraw/zinc/81/99/97/537819997.db2.gz XBYIFMKFUHTDTK-VXGBXAGGSA-N 1 3 210.365 2.391 10 0 BEAEHO CCc1ccc(CN2C[C@H](C)[C@@H](C[NH3+])C2)s1 ZINC000634998169 345197380 /nfs/dbraw/zinc/19/73/80/345197380.db2.gz BTJGHYYNNDMFQW-QWRGUYRKSA-N 1 3 238.400 2.337 10 0 BEAEHO CCOc1cccc(CN2C[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000634999901 345202157 /nfs/dbraw/zinc/20/21/57/345202157.db2.gz BWSUAAWMLIYNOP-OCCSQVGLSA-N 1 3 248.370 2.112 10 0 BEAEHO C[C@H](N[C@H]1CC[C@H]([NH3+])CC1)c1nccs1 ZINC000257351099 345773623 /nfs/dbraw/zinc/77/36/23/345773623.db2.gz CCEBVNAQRAWHIX-GUBZILKMSA-N 1 3 225.361 2.064 10 0 BEAEHO CCN1CCC[C@H](Nc2cc[nH+]c(C)c2)C1 ZINC000229564182 346437686 /nfs/dbraw/zinc/43/76/86/346437686.db2.gz KCZZSXHKDKNWQC-ZDUSSCGKSA-N 1 3 219.332 2.286 10 0 BEAEHO Cc1cccc(C[NH2+]C[C@H]2CCN(C)C2)c1 ZINC000037484594 179094391 /nfs/dbraw/zinc/09/43/91/179094391.db2.gz DSDCVVHUHWCSTF-CQSZACIVSA-N 1 3 218.344 2.036 10 0 BEAEHO Cc1cccc(CNC[C@H]2CC[N@@H+](C)C2)c1 ZINC000037484594 179094393 /nfs/dbraw/zinc/09/43/93/179094393.db2.gz DSDCVVHUHWCSTF-CQSZACIVSA-N 1 3 218.344 2.036 10 0 BEAEHO Cc1cccc(CNC[C@H]2CC[N@H+](C)C2)c1 ZINC000037484594 179094395 /nfs/dbraw/zinc/09/43/95/179094395.db2.gz DSDCVVHUHWCSTF-CQSZACIVSA-N 1 3 218.344 2.036 10 0 BEAEHO CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000563804508 323178334 /nfs/dbraw/zinc/17/83/34/323178334.db2.gz SKBBQGMGLYCSOD-LPWJVIDDSA-N 1 3 210.365 2.153 10 0 BEAEHO CCSC1(C[NH2+][C@H]2CCCNCC2)CC1 ZINC000596653194 348607238 /nfs/dbraw/zinc/60/72/38/348607238.db2.gz SUDINKVGFGONTJ-NSHDSACASA-N 1 3 228.405 2.004 10 0 BEAEHO CCSC1(CN[C@H]2CCC[NH2+]CC2)CC1 ZINC000596653194 348607242 /nfs/dbraw/zinc/60/72/42/348607242.db2.gz SUDINKVGFGONTJ-NSHDSACASA-N 1 3 228.405 2.004 10 0 BEAEHO CCN(Cc1ccccc1)C[C@H](C)C[NH2+]C ZINC000052443724 351001061 /nfs/dbraw/zinc/00/10/61/351001061.db2.gz LKFAZFPQXLOODJ-CYBMUJFWSA-N 1 3 220.360 2.364 10 0 BEAEHO CN1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000306824526 351132294 /nfs/dbraw/zinc/13/22/94/351132294.db2.gz USAALUUCCKLXMC-GJZGRUSLSA-N 1 3 230.355 2.070 10 0 BEAEHO CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000306824526 351132296 /nfs/dbraw/zinc/13/22/96/351132296.db2.gz USAALUUCCKLXMC-GJZGRUSLSA-N 1 3 230.355 2.070 10 0 BEAEHO C[C@@H]1CCC[N@@H+]1Cc1ccc(CN)s1 ZINC000231959532 351482022 /nfs/dbraw/zinc/48/20/22/351482022.db2.gz CYCYCTFWAYJHJD-SECBINFHSA-N 1 3 210.346 2.191 10 0 BEAEHO C[C@@H]1CCC[N@H+]1Cc1ccc(CN)s1 ZINC000231959532 351482026 /nfs/dbraw/zinc/48/20/26/351482026.db2.gz CYCYCTFWAYJHJD-SECBINFHSA-N 1 3 210.346 2.191 10 0 BEAEHO C[C@H]1CCC[N@@H+]1Cc1ccc(CN)s1 ZINC000231959535 351482038 /nfs/dbraw/zinc/48/20/38/351482038.db2.gz CYCYCTFWAYJHJD-VIFPVBQESA-N 1 3 210.346 2.191 10 0 BEAEHO C[C@H]1CCC[N@H+]1Cc1ccc(CN)s1 ZINC000231959535 351482041 /nfs/dbraw/zinc/48/20/41/351482041.db2.gz CYCYCTFWAYJHJD-VIFPVBQESA-N 1 3 210.346 2.191 10 0 BEAEHO COc1ccc(CN2C[C@H](C[NH3+])CC[C@H]2C)cc1 ZINC000070199453 188305176 /nfs/dbraw/zinc/30/51/76/188305176.db2.gz GZPCMLPHWOEBGV-OCCSQVGLSA-N 1 3 248.370 2.254 10 0 BEAEHO CC(C)(C[NH2+]C1CC1)CN1CCCCC1 ZINC000051211092 188331696 /nfs/dbraw/zinc/33/16/96/188331696.db2.gz QKWRKWWNDGPYFS-UHFFFAOYSA-N 1 3 210.365 2.251 10 0 BEAEHO CC(C)(CNC1CC1)C[NH+]1CCCCC1 ZINC000051211092 188331698 /nfs/dbraw/zinc/33/16/98/188331698.db2.gz QKWRKWWNDGPYFS-UHFFFAOYSA-N 1 3 210.365 2.251 10 0 BEAEHO CCC[C@H]1C[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422959887 192526277 /nfs/dbraw/zinc/52/62/77/192526277.db2.gz AGZIZEOOKNUDMS-GVWAJWJKSA-N 1 3 208.349 2.048 10 0 BEAEHO C[C@@H]([NH2+]C[C@H]1CCC[C@H]1C)[C@H]1CCCNC1 ZINC000583018741 357450634 /nfs/dbraw/zinc/45/06/34/357450634.db2.gz MUQZJNWSWYYFQJ-SYQHCUMBSA-N 1 3 224.392 2.400 10 0 BEAEHO CC(C)[NH+](C(C)C)[C@H]1[C@H](C)CNC[C@@H]1C ZINC000685951101 538894575 /nfs/dbraw/zinc/89/45/75/538894575.db2.gz NASCSBQSQORPJN-ITGUQSILSA-N 1 3 212.381 2.349 10 0 BEAEHO CC[C@@H]1CCC[N@@H+](C2[C@@H](C)CNC[C@@H]2C)C1 ZINC000685950847 538894710 /nfs/dbraw/zinc/89/47/10/538894710.db2.gz FETHWMACROPDLE-RWMBFGLXSA-N 1 3 224.392 2.352 10 0 BEAEHO CC[C@@H]1CCC[N@H+](C2[C@@H](C)CNC[C@@H]2C)C1 ZINC000685950847 538894713 /nfs/dbraw/zinc/89/47/13/538894713.db2.gz FETHWMACROPDLE-RWMBFGLXSA-N 1 3 224.392 2.352 10 0 BEAEHO C[C@@H]1C[C@H](C)C[N@H+](C2[C@@H](C)CNC[C@@H]2C)C1 ZINC000685951092 538894734 /nfs/dbraw/zinc/89/47/34/538894734.db2.gz MSDXRQCKWQTYTQ-RNJOBUHISA-N 1 3 224.392 2.208 10 0 BEAEHO C[C@@H]1C[C@H](C)C[N@@H+](C2[C@@H](C)CNC[C@@H]2C)C1 ZINC000685951092 538894736 /nfs/dbraw/zinc/89/47/36/538894736.db2.gz MSDXRQCKWQTYTQ-RNJOBUHISA-N 1 3 224.392 2.208 10 0 BEAEHO C[C@@H]1CNC[C@@H](C)C1[N@@H+]1CCC2(CCC2)C1 ZINC000685951658 538895128 /nfs/dbraw/zinc/89/51/28/538895128.db2.gz VHIJIINIUUZUBS-VXGBXAGGSA-N 1 3 222.376 2.106 10 0 BEAEHO C[C@@H]1CNC[C@@H](C)C1[N@H+]1CCC2(CCC2)C1 ZINC000685951658 538895129 /nfs/dbraw/zinc/89/51/29/538895129.db2.gz VHIJIINIUUZUBS-VXGBXAGGSA-N 1 3 222.376 2.106 10 0 BEAEHO CC[C@@H]1CCCC[N@@H+]1C1[C@H](C)CNC[C@H]1C ZINC000685951674 538895194 /nfs/dbraw/zinc/89/51/94/538895194.db2.gz VNKPZUHMUAAWMQ-JHJVBQTASA-N 1 3 224.392 2.495 10 0 BEAEHO CC[C@@H]1CCCC[N@H+]1C1[C@H](C)CNC[C@H]1C ZINC000685951674 538895195 /nfs/dbraw/zinc/89/51/95/538895195.db2.gz VNKPZUHMUAAWMQ-JHJVBQTASA-N 1 3 224.392 2.495 10 0 BEAEHO CC[C@@H]1CCCC[N@@H+]1[C@H]1[C@H](C)CNC[C@@H]1C ZINC000685951683 538895268 /nfs/dbraw/zinc/89/52/68/538895268.db2.gz VNKPZUHMUAAWMQ-RQJABVFESA-N 1 3 224.392 2.495 10 0 BEAEHO CC[C@@H]1CCCC[N@H+]1[C@H]1[C@H](C)CNC[C@@H]1C ZINC000685951683 538895270 /nfs/dbraw/zinc/89/52/70/538895270.db2.gz VNKPZUHMUAAWMQ-RQJABVFESA-N 1 3 224.392 2.495 10 0 BEAEHO C[C@@H]1CNC[C@@H](C)C1[N@@H+]1CCC[C@@H](C)[C@@H]1C ZINC000685951779 538895534 /nfs/dbraw/zinc/89/55/34/538895534.db2.gz YBEXMWBJOJKQSU-LPWJVIDDSA-N 1 3 224.392 2.351 10 0 BEAEHO C[C@@H]1CNC[C@@H](C)C1[N@H+]1CCC[C@@H](C)[C@@H]1C ZINC000685951779 538895535 /nfs/dbraw/zinc/89/55/35/538895535.db2.gz YBEXMWBJOJKQSU-LPWJVIDDSA-N 1 3 224.392 2.351 10 0 BEAEHO CC[C@H]1CC[C@@H](CC[N@H+](C)CC)N(C)C1 ZINC000584627576 358297432 /nfs/dbraw/zinc/29/74/32/358297432.db2.gz XWUGWNNMONIIBW-STQMWFEESA-N 1 3 212.381 2.449 10 0 BEAEHO CC[C@H]1CC[C@@H](CC[N@@H+](C)CC)N(C)C1 ZINC000584627576 358297434 /nfs/dbraw/zinc/29/74/34/358297434.db2.gz XWUGWNNMONIIBW-STQMWFEESA-N 1 3 212.381 2.449 10 0 BEAEHO C[C@@H](CC[NH3+])Nc1ccnc2ccccc21 ZINC000134272168 358784792 /nfs/dbraw/zinc/78/47/92/358784792.db2.gz WPFXJDAIGGQONV-JTQLQIEISA-N 1 3 215.300 2.384 10 0 BEAEHO CCN1CCC[C@@H](Nc2cc[nH+]cc2C)C1 ZINC000070047154 359040216 /nfs/dbraw/zinc/04/02/16/359040216.db2.gz WAZANJHJVJQXDB-GFCCVEGCSA-N 1 3 219.332 2.286 10 0 BEAEHO CO[C@@H]1CN(C[C@@H](C)CC(C)C)[C@](C)(C[NH3+])C1 ZINC000630370013 364087763 /nfs/dbraw/zinc/08/77/63/364087763.db2.gz YJAYDCHHHZHORS-IHRRRGAJSA-N 1 3 242.407 2.107 10 0 BEAEHO C[C@@H]1CC[C@@H](Nc2ccnc3ccccc32)C[NH2+]1 ZINC000630535741 364231236 /nfs/dbraw/zinc/23/12/36/364231236.db2.gz ZMLXRFOZTCIYBW-VXGBXAGGSA-N 1 3 241.338 2.209 10 0 BEAEHO [NH3+]CCCN[C@H](c1ccc(F)cc1)C1CC1 ZINC000037713858 181382848 /nfs/dbraw/zinc/38/28/48/181382848.db2.gz KLFYPKWBHPWBLP-ZDUSSCGKSA-N 1 3 222.307 2.215 10 0 BEAEHO C[C@@H](NCCOc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000574308209 365033358 /nfs/dbraw/zinc/03/33/58/365033358.db2.gz SGGKFFULWKQPAG-ZIAGYGMSSA-N 1 3 248.370 2.043 10 0 BEAEHO [NH3+]CCNCC(c1ccccc1)c1ccccc1 ZINC000074339335 181397062 /nfs/dbraw/zinc/39/70/62/181397062.db2.gz XTUAJSCMFSCRIV-UHFFFAOYSA-N 1 3 240.350 2.367 10 0 BEAEHO CCCCOCCC[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000574683573 365118647 /nfs/dbraw/zinc/11/86/47/365118647.db2.gz SCUSIQYLQQJZBH-ZIAGYGMSSA-N 1 3 242.407 2.171 10 0 BEAEHO C[C@@H]([NH2+]CC1CCSCC1)[C@@H]1CCCNC1 ZINC000566908914 326092847 /nfs/dbraw/zinc/09/28/47/326092847.db2.gz GRUXSNXTSQETBN-DGCLKSJQSA-N 1 3 242.432 2.107 10 0 BEAEHO CC(C)([NH3+])[C@H]1CCN(Cc2ccccc2)C1 ZINC000004204177 368907466 /nfs/dbraw/zinc/90/74/66/368907466.db2.gz VKMDDONHDBJSAT-ZDUSSCGKSA-N 1 3 218.344 2.246 10 0 BEAEHO C[C@@H]1C[N@H+](CCCC2CCC2)C[C@@H]1CN ZINC000631836731 369088854 /nfs/dbraw/zinc/08/88/54/369088854.db2.gz FZKXJWXTONATET-YPMHNXCESA-N 1 3 210.365 2.093 10 0 BEAEHO C[C@@H]1C[N@@H+](CCCC2CCC2)C[C@@H]1CN ZINC000631836731 369088859 /nfs/dbraw/zinc/08/88/59/369088859.db2.gz FZKXJWXTONATET-YPMHNXCESA-N 1 3 210.365 2.093 10 0 BEAEHO C[C@@H]1CN(Cc2cc3ccccc3o2)C[C@@H]1C[NH3+] ZINC000631838118 369117160 /nfs/dbraw/zinc/11/71/60/369117160.db2.gz JCFAJTAOGPHUTK-YPMHNXCESA-N 1 3 244.338 2.459 10 0 BEAEHO C[C@H](c1ccc(F)cc1)N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631839555 369143337 /nfs/dbraw/zinc/14/33/37/369143337.db2.gz HRABYVDZHUTUSH-WZRBSPASSA-N 1 3 236.334 2.413 10 0 BEAEHO Cc1cccc(C)c1C[N@H+]1C[C@@H](C)[C@@H](CN)C1 ZINC000631839692 369170273 /nfs/dbraw/zinc/17/02/73/369170273.db2.gz JRSKBYAHNSJXSG-KGLIPLIRSA-N 1 3 232.371 2.330 10 0 BEAEHO Cc1cccc(C)c1C[N@@H+]1C[C@@H](C)[C@@H](CN)C1 ZINC000631839692 369170276 /nfs/dbraw/zinc/17/02/76/369170276.db2.gz JRSKBYAHNSJXSG-KGLIPLIRSA-N 1 3 232.371 2.330 10 0 BEAEHO [NH3+]Cc1cccc(CN2CCCSCC2)c1 ZINC000042443317 181488029 /nfs/dbraw/zinc/48/80/29/181488029.db2.gz RMVDUKVAUJNFTE-UHFFFAOYSA-N 1 3 236.384 2.084 10 0 BEAEHO Cc1ccc(CN2C[C@@H](C)[C@@H](C[NH3+])C2)cc1C ZINC000631837644 372628497 /nfs/dbraw/zinc/62/84/97/372628497.db2.gz DMPVVFJVZVNNRC-HIFRSBDPSA-N 1 3 232.371 2.330 10 0 BEAEHO Cc1ccc(C[N@H+]2C[C@@H](C)[C@@H](CN)C2)cc1C ZINC000631837644 372628506 /nfs/dbraw/zinc/62/85/06/372628506.db2.gz DMPVVFJVZVNNRC-HIFRSBDPSA-N 1 3 232.371 2.330 10 0 BEAEHO Cc1ccc(C[N@@H+]2C[C@@H](C)[C@@H](CN)C2)cc1C ZINC000631837644 372628513 /nfs/dbraw/zinc/62/85/13/372628513.db2.gz DMPVVFJVZVNNRC-HIFRSBDPSA-N 1 3 232.371 2.330 10 0 BEAEHO CCC(C)(C)CC[N@@H+]1C[C@H](C)[C@@H](CN)C1 ZINC000631837983 372606199 /nfs/dbraw/zinc/60/61/99/372606199.db2.gz YLUVTZHTSBIQDK-RYUDHWBXSA-N 1 3 212.381 2.339 10 0 BEAEHO CCC(C)(C)CC[N@H+]1C[C@H](C)[C@@H](CN)C1 ZINC000631837983 372606205 /nfs/dbraw/zinc/60/62/05/372606205.db2.gz YLUVTZHTSBIQDK-RYUDHWBXSA-N 1 3 212.381 2.339 10 0 BEAEHO CCOCCCN1CC[C@H](CC)[NH2+]C[C@@H](C)C1 ZINC000049665161 170375396 /nfs/dbraw/zinc/37/53/96/170375396.db2.gz ZXUCZIOMPLRTAA-KGLIPLIRSA-N 1 3 242.407 2.123 10 0 BEAEHO CCC[N@H+](CCN(C)C)C[C@@](C)(CN)CCC ZINC000051254307 169158710 /nfs/dbraw/zinc/15/87/10/169158710.db2.gz ZYKCFEUOIDCJKF-CQSZACIVSA-N 1 3 243.439 2.025 10 0 BEAEHO CCC[N@@H+](CCN(C)C)C[C@@](C)(CN)CCC ZINC000051254307 169158712 /nfs/dbraw/zinc/15/87/12/169158712.db2.gz ZYKCFEUOIDCJKF-CQSZACIVSA-N 1 3 243.439 2.025 10 0 BEAEHO c1cc(CN2CCC(C[NH2+]C3CC3)CC2)ccn1 ZINC000053660034 183340920 /nfs/dbraw/zinc/34/09/20/183340920.db2.gz AVWOHEBNAYAPMV-UHFFFAOYSA-N 1 3 245.370 2.046 10 0 BEAEHO CCC[NH2+]C[C@H]1CCCN(CC(C)C)C1 ZINC000053654601 169264889 /nfs/dbraw/zinc/26/48/89/169264889.db2.gz SIRDCSHDTFKMJH-CYBMUJFWSA-N 1 3 212.381 2.354 10 0 BEAEHO CCCOc1ccc([C@@H](C)NCCC[NH3+])cc1 ZINC000037713326 169320846 /nfs/dbraw/zinc/32/08/46/169320846.db2.gz BRJLWIICCWLYAW-GFCCVEGCSA-N 1 3 236.359 2.475 10 0 BEAEHO CC[C@H]([NH2+][C@H]1CC[C@@H](N(C)C)C1)C1CC1 ZINC000222737833 134334077 /nfs/dbraw/zinc/33/40/77/134334077.db2.gz ZJKRQSXLDKXDQX-XQQFMLRXSA-N 1 3 210.365 2.247 10 0 BEAEHO C[C@@H]1C[C@@H](N)[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000068593044 384002987 /nfs/dbraw/zinc/00/29/87/384002987.db2.gz MPGWATXLKGPBOP-MBNYWOFBSA-N 1 3 218.344 2.244 10 0 BEAEHO C[C@@H]1C[C@@H](N)[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000068593044 384002992 /nfs/dbraw/zinc/00/29/92/384002992.db2.gz MPGWATXLKGPBOP-MBNYWOFBSA-N 1 3 218.344 2.244 10 0 BEAEHO CS[C@H]1CCCC[N@H+](C[C@@H]2CCCNC2)C1 ZINC000336460624 383951874 /nfs/dbraw/zinc/95/18/74/383951874.db2.gz OMKRDNQHACRNCX-OLZOCXBDSA-N 1 3 242.432 2.204 10 0 BEAEHO CS[C@H]1CCCC[N@@H+](C[C@@H]2CCCNC2)C1 ZINC000336460624 383951878 /nfs/dbraw/zinc/95/18/78/383951878.db2.gz OMKRDNQHACRNCX-OLZOCXBDSA-N 1 3 242.432 2.204 10 0 BEAEHO C[C@@H]1CC[C@H](N)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000068593068 384001537 /nfs/dbraw/zinc/00/15/37/384001537.db2.gz ULXWOSFIBHNQLH-DYEKYZERSA-N 1 3 218.344 2.387 10 0 BEAEHO C[C@@H]1CC[C@H](N)[C@H](C)[N@H+]1Cc1ccccc1 ZINC000068593068 384001542 /nfs/dbraw/zinc/00/15/42/384001542.db2.gz ULXWOSFIBHNQLH-DYEKYZERSA-N 1 3 218.344 2.387 10 0 BEAEHO C[N@H+](C[C@@H]1CCC(F)(F)C1)[C@@H]1CCCNCC1 ZINC000302315798 384139898 /nfs/dbraw/zinc/13/98/98/384139898.db2.gz BSXGTXXWHUMIPC-VXGBXAGGSA-N 1 3 246.345 2.496 10 0 BEAEHO C[N@@H+](C[C@@H]1CCC(F)(F)C1)[C@@H]1CCCNCC1 ZINC000302315798 384139901 /nfs/dbraw/zinc/13/99/01/384139901.db2.gz BSXGTXXWHUMIPC-VXGBXAGGSA-N 1 3 246.345 2.496 10 0 BEAEHO Cc1ccc([C@@H](C)NCCC[NH3+])cc1C ZINC000037713395 384512943 /nfs/dbraw/zinc/51/29/43/384512943.db2.gz WSKCMBQDHNUXCM-GFCCVEGCSA-N 1 3 206.333 2.303 10 0 BEAEHO C[NH+](C)CCn1cccc1[C@H](N)c1ccccc1 ZINC000011848778 384618722 /nfs/dbraw/zinc/61/87/22/384618722.db2.gz WLJVCQIISALCSF-OAHLLOKOSA-N 1 3 243.354 2.098 10 0 BEAEHO C[C@@H](N[C@H]1CC[C@H]([NH3+])CC1)c1nccs1 ZINC000100256594 384627330 /nfs/dbraw/zinc/62/73/30/384627330.db2.gz CCEBVNAQRAWHIX-BBBLOLIVSA-N 1 3 225.361 2.064 10 0 BEAEHO Cc1cc(N[C@@H](C)[C@H](C)[NH3+])c2ccccc2n1 ZINC000336099543 384890605 /nfs/dbraw/zinc/89/06/05/384890605.db2.gz LIGWOJRSNFICBU-QWRGUYRKSA-N 1 3 229.327 2.113 10 0 BEAEHO CC[C@H](CNC[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000398293962 384895633 /nfs/dbraw/zinc/89/56/33/384895633.db2.gz NDDFXINAVDENOT-UONOGXRCSA-N 1 3 232.371 2.379 10 0 BEAEHO CC[C@@H](NCCC[NH3+])c1ccc(OC)cc1 ZINC000037713323 385308228 /nfs/dbraw/zinc/30/82/28/385308228.db2.gz MUIPBFOQVHYMAW-CYBMUJFWSA-N 1 3 222.332 2.085 10 0 BEAEHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCNC2)CC(C)(C)C1 ZINC000414864994 385771015 /nfs/dbraw/zinc/77/10/15/385771015.db2.gz CKCDTTSOKDNWMP-UTUOFQBUSA-N 1 3 210.365 2.153 10 0 BEAEHO CN(CC1CCCCC1)C[C@@]1(C)CC[NH2+]C1 ZINC000062911741 386532012 /nfs/dbraw/zinc/53/20/12/386532012.db2.gz VANHTBOUHLOTGK-AWEZNQCLSA-N 1 3 224.392 2.498 10 0 BEAEHO CN(C[C@@]1(C)CC[NH2+]C1)C1CCCCC1 ZINC000062910889 386653983 /nfs/dbraw/zinc/65/39/83/386653983.db2.gz KTLZTOLBUYALRS-ZDUSSCGKSA-N 1 3 210.365 2.251 10 0 BEAEHO C[C@@H]([NH2+]CC1CC(C)(C)C1)[C@@H]1CCCNC1 ZINC000520216770 386601305 /nfs/dbraw/zinc/60/13/05/386601305.db2.gz DLYURNFPCJIEBM-DGCLKSJQSA-N 1 3 224.392 2.400 10 0 BEAEHO N[C@H](CCCC[NH3+])c1c(F)cc(F)cc1F ZINC000575439419 387124660 /nfs/dbraw/zinc/12/46/60/387124660.db2.gz JTSLTANBUJAEIL-SNVBAGLBSA-N 1 3 232.249 2.233 10 0 BEAEHO CC[C@H](C)[C@H](CN[C@@H](C)[C@@H]1CCC[NH2+]C1)OC ZINC000572234169 387282689 /nfs/dbraw/zinc/28/26/89/387282689.db2.gz FEMNKQVVEXGLPR-FQUUOJAGSA-N 1 3 242.407 2.025 10 0 BEAEHO CC[C@H](C)[C@H](C[NH2+][C@@H](C)[C@@H]1CCCNC1)OC ZINC000572234169 387282694 /nfs/dbraw/zinc/28/26/94/387282694.db2.gz FEMNKQVVEXGLPR-FQUUOJAGSA-N 1 3 242.407 2.025 10 0 BEAEHO C[C@@H]([NH2+]CC1(C2CC2)CC1)[C@@H]1CCCNC1 ZINC000514825107 387290426 /nfs/dbraw/zinc/29/04/26/387290426.db2.gz QEYOBSCCCMIUKY-VXGBXAGGSA-N 1 3 222.376 2.154 10 0 BEAEHO CC(C)CCOCCN[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000514872173 387306254 /nfs/dbraw/zinc/30/62/54/387306254.db2.gz CNIYRLDRPMSTKJ-KBPBESRZSA-N 1 3 242.407 2.027 10 0 BEAEHO CC(C)CCOCC[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000514872173 387306259 /nfs/dbraw/zinc/30/62/59/387306259.db2.gz CNIYRLDRPMSTKJ-KBPBESRZSA-N 1 3 242.407 2.027 10 0 BEAEHO CC(C)CCOCCN[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000514872176 387306572 /nfs/dbraw/zinc/30/65/72/387306572.db2.gz CNIYRLDRPMSTKJ-UONOGXRCSA-N 1 3 242.407 2.027 10 0 BEAEHO CC(C)CCOCC[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000514872176 387306577 /nfs/dbraw/zinc/30/65/77/387306577.db2.gz CNIYRLDRPMSTKJ-UONOGXRCSA-N 1 3 242.407 2.027 10 0 BEAEHO C[C@H](NCCC[NH3+])c1ccc(OC(F)F)cc1 ZINC000037713472 387564117 /nfs/dbraw/zinc/56/41/17/387564117.db2.gz DRTBXJAAXCIMED-VIFPVBQESA-N 1 3 244.285 2.287 10 0 BEAEHO Cc1ccc([C@@H](NCCC[NH3+])C2CC2)cc1 ZINC000037713746 387566202 /nfs/dbraw/zinc/56/62/02/387566202.db2.gz GZSKZTVKJJWWJV-CQSZACIVSA-N 1 3 218.344 2.385 10 0 BEAEHO CCSCCN(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123215438 387668812 /nfs/dbraw/zinc/66/88/12/387668812.db2.gz MGNJOUBBMRPZRK-NEPJUHHUSA-N 1 3 230.421 2.154 10 0 BEAEHO CCSCCN(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123215438 387668814 /nfs/dbraw/zinc/66/88/14/387668814.db2.gz MGNJOUBBMRPZRK-NEPJUHHUSA-N 1 3 230.421 2.154 10 0 BEAEHO C[C@@H](c1ccccc1F)[N@H+]1C[C@H]2CN(C)C[C@H]2C1 ZINC000193621529 387860584 /nfs/dbraw/zinc/86/05/84/387860584.db2.gz GICFMGNUNCDREB-RWMBFGLXSA-N 1 3 248.345 2.380 10 0 BEAEHO C[C@@H](c1ccccc1F)[N@@H+]1C[C@H]2CN(C)C[C@H]2C1 ZINC000193621529 387860588 /nfs/dbraw/zinc/86/05/88/387860588.db2.gz GICFMGNUNCDREB-RWMBFGLXSA-N 1 3 248.345 2.380 10 0 BEAEHO C[C@H](NCCCOc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400455838 387955957 /nfs/dbraw/zinc/95/59/57/387955957.db2.gz PXOSVAOOPGUQJY-UONOGXRCSA-N 1 3 248.370 2.043 10 0 BEAEHO Cc1ccccc1CCN[C@H](C)[C@H]1CC[NH2+]C1 ZINC000400328520 388116478 /nfs/dbraw/zinc/11/64/78/388116478.db2.gz BCNWOPJALMFQLV-HIFRSBDPSA-N 1 3 232.371 2.125 10 0 BEAEHO C[C@H]([NH2+][C@H]1CSC1(C)C)[C@H]1CCCCN1 ZINC000393852963 388444165 /nfs/dbraw/zinc/44/41/65/388444165.db2.gz OICIYLBQWSZNIZ-AXFHLTTASA-N 1 3 228.405 2.001 10 0 BEAEHO Cc1cc(N[C@H](C)[C@@H](C)[NH3+])c2ccccc2n1 ZINC000336099541 388456179 /nfs/dbraw/zinc/45/61/79/388456179.db2.gz LIGWOJRSNFICBU-GHMZBOCLSA-N 1 3 229.327 2.113 10 0 BEAEHO CC(C)CSCCN[C@@H]1CCC[NH2+]CC1 ZINC000397302137 388458323 /nfs/dbraw/zinc/45/83/23/388458323.db2.gz GLWDVPHTUWRKII-GFCCVEGCSA-N 1 3 230.421 2.107 10 0 BEAEHO C[C@@]1(CN2CC[C@@H](c3ccccc3)C2)CC[NH2+]C1 ZINC000219865204 134292362 /nfs/dbraw/zinc/29/23/62/134292362.db2.gz MNRPAPMXGASSBW-HZPDHXFCSA-N 1 3 244.382 2.476 10 0 BEAEHO CC(C)C[C@H](CO)[NH2+][C@H]1C[C@@H](N)c2ccccc21 ZINC000227539336 134383016 /nfs/dbraw/zinc/38/30/16/134383016.db2.gz FJYHVTRNMJTIEA-DFBGVHRSSA-N 1 3 248.370 2.128 10 0 BEAEHO C[C@H](NCC[C@H]1CCCC[N@@H+]1C)[C@H]1CCCO1 ZINC000251710174 135074316 /nfs/dbraw/zinc/07/43/16/135074316.db2.gz YDIKTWLMHKGHRG-BFHYXJOUSA-N 1 3 240.391 2.018 10 0 BEAEHO C[C@H](NCC[C@H]1CCCC[N@H+]1C)[C@H]1CCCO1 ZINC000251710174 135074317 /nfs/dbraw/zinc/07/43/17/135074317.db2.gz YDIKTWLMHKGHRG-BFHYXJOUSA-N 1 3 240.391 2.018 10 0 BEAEHO FC1(F)CCC[C@@H](C[N@@H+]2CCCNCC2)C1 ZINC000261533076 135164580 /nfs/dbraw/zinc/16/45/80/135164580.db2.gz GJKDQGRYZRRXAW-LLVKDONJSA-N 1 3 232.318 2.107 10 0 BEAEHO FC1(F)CCC[C@@H](C[N@H+]2CCCNCC2)C1 ZINC000261533076 135164582 /nfs/dbraw/zinc/16/45/82/135164582.db2.gz GJKDQGRYZRRXAW-LLVKDONJSA-N 1 3 232.318 2.107 10 0 BEAEHO C[C@H]([NH2+][C@@H]1CC[C@H](N(C)C)C1)C(C)(C)C ZINC000090967210 135556284 /nfs/dbraw/zinc/55/62/84/135556284.db2.gz IZRIMIVTZHQMCT-TUAOUCFPSA-N 1 3 212.381 2.493 10 0 BEAEHO C[C@H]([NH3+])[C@@H]1CCN(C[C@H]2CCCCC2(F)F)C1 ZINC000394486490 410795197 /nfs/dbraw/zinc/79/51/97/410795197.db2.gz HSMDQQVNBRFMAU-QJPTWQEYSA-N 1 3 246.345 2.481 10 0 BEAEHO CC(C)[NH2+]CCCCN1C[C@@H](C)OC(C)(C)C1 ZINC000041681532 167101856 /nfs/dbraw/zinc/10/18/56/167101856.db2.gz MAGJEAUATZZFNU-CYBMUJFWSA-N 1 3 242.407 2.264 10 0 BEAEHO CC1CCN(C[C@H](C[NH3+])c2ccccc2)CC1 ZINC000035731264 168182492 /nfs/dbraw/zinc/18/24/92/168182492.db2.gz BDNOLYPBRJSNJG-HNNXBMFYSA-N 1 3 232.371 2.461 10 0 BEAEHO CC1CC[NH+](CC[C@H](N)C(C)(C)C)CC1 ZINC000026510926 168182673 /nfs/dbraw/zinc/18/26/73/168182673.db2.gz DGNOIYCJULJQJE-LBPRGKRZSA-N 1 3 212.381 2.482 10 0 BEAEHO CC1CCN(CC[C@H]([NH3+])C(C)(C)C)CC1 ZINC000026510926 168182675 /nfs/dbraw/zinc/18/26/75/168182675.db2.gz DGNOIYCJULJQJE-LBPRGKRZSA-N 1 3 212.381 2.482 10 0 BEAEHO CC1CC[NH+](C[C@@H]2C[C@H](C)CC[C@@H]2N)CC1 ZINC000053860886 168183456 /nfs/dbraw/zinc/18/34/56/168183456.db2.gz JTFYLZMGHNQAOL-RDBSUJKOSA-N 1 3 224.392 2.482 10 0 BEAEHO CC[NH2+][C@@H]1CCN([C@@H]2CCC[C@@H]2OC)[C@H](C)C1 ZINC000050374138 170153007 /nfs/dbraw/zinc/15/30/07/170153007.db2.gz LKLLJEMWIRXDDX-SYQHCUMBSA-N 1 3 240.391 2.016 10 0 BEAEHO CC[C@@H]1CN(CCCC[NH2+]C(C)(C)C)CCO1 ZINC000052476889 171078352 /nfs/dbraw/zinc/07/83/52/171078352.db2.gz LGPRIIHGAVAXTR-CYBMUJFWSA-N 1 3 242.407 2.266 10 0 BEAEHO CC[C@H](C)NCc1csc(CC[NH+](C)C)n1 ZINC000082688177 171344145 /nfs/dbraw/zinc/34/41/45/171344145.db2.gz CQEVESIATOMNNJ-JTQLQIEISA-N 1 3 241.404 2.135 10 0 BEAEHO C[C@H]1C[C@H](C[NH2+]C2CCNCC2)C[C@@H](C)C1 ZINC000665239325 412175947 /nfs/dbraw/zinc/17/59/47/412175947.db2.gz QYMFOUPPPNBMEE-ITGUQSILSA-N 1 3 224.392 2.400 10 0 BEAEHO C[C@@H]1CC(C[NH2+]C2CCNCC2)C[C@@H](C)C1 ZINC000665239326 412177101 /nfs/dbraw/zinc/17/71/01/412177101.db2.gz QYMFOUPPPNBMEE-RYUDHWBXSA-N 1 3 224.392 2.400 10 0 BEAEHO C[N@@H+]1CC[C@@H](CN[C@@H]2CCc3ccccc32)C1 ZINC000037646159 173118427 /nfs/dbraw/zinc/11/84/27/173118427.db2.gz PPJNBJFARYDRJT-SWLSCSKDSA-N 1 3 230.355 2.215 10 0 BEAEHO C[N@H+]1CC[C@@H](CN[C@@H]2CCc3ccccc32)C1 ZINC000037646159 173118429 /nfs/dbraw/zinc/11/84/29/173118429.db2.gz PPJNBJFARYDRJT-SWLSCSKDSA-N 1 3 230.355 2.215 10 0 BEAEHO CN(C)[C@H]1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000039109996 173149020 /nfs/dbraw/zinc/14/90/20/173149020.db2.gz DUXQDTZEIPNHRZ-KBPBESRZSA-N 1 3 218.344 2.036 10 0 BEAEHO CN(C)[C@H]1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000039109996 173149022 /nfs/dbraw/zinc/14/90/22/173149022.db2.gz DUXQDTZEIPNHRZ-KBPBESRZSA-N 1 3 218.344 2.036 10 0 BEAEHO CNC1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000037255828 173324225 /nfs/dbraw/zinc/32/42/25/173324225.db2.gz WGPKQIOLQSLSIN-AAEUAGOBSA-N 1 3 210.365 2.249 10 0 BEAEHO C[NH2+]C1CCN([C@H]2CCC[C@H](C)C2)CC1 ZINC000037255828 173324226 /nfs/dbraw/zinc/32/42/26/173324226.db2.gz WGPKQIOLQSLSIN-AAEUAGOBSA-N 1 3 210.365 2.249 10 0 BEAEHO CNCC1(C[N@@H+]2CCC[C@@H](C)C2)CCCC1 ZINC000051210080 173337987 /nfs/dbraw/zinc/33/79/87/173337987.db2.gz RCLDDIRUIVPPNL-CYBMUJFWSA-N 1 3 224.392 2.498 10 0 BEAEHO CNCC1(C[N@H+]2CCC[C@@H](C)C2)CCCC1 ZINC000051210080 173337988 /nfs/dbraw/zinc/33/79/88/173337988.db2.gz RCLDDIRUIVPPNL-CYBMUJFWSA-N 1 3 224.392 2.498 10 0 BEAEHO CNCC1(C[N@@H+]2CC[C@@H](C)C2)CCCCC1 ZINC000051250002 173338088 /nfs/dbraw/zinc/33/80/88/173338088.db2.gz WBXUGYIJJRHJPF-CYBMUJFWSA-N 1 3 224.392 2.498 10 0 BEAEHO CNCC1(C[N@H+]2CC[C@@H](C)C2)CCCCC1 ZINC000051250002 173338089 /nfs/dbraw/zinc/33/80/89/173338089.db2.gz WBXUGYIJJRHJPF-CYBMUJFWSA-N 1 3 224.392 2.498 10 0 BEAEHO CNC[C@H]1CC[N@@H+]([C@H](C)C2CCCCC2)C1 ZINC000053035306 173381686 /nfs/dbraw/zinc/38/16/86/173381686.db2.gz GQMPSKQIBLIPAI-CHWSQXEVSA-N 1 3 224.392 2.497 10 0 BEAEHO CNC[C@H]1CC[N@H+]([C@H](C)C2CCCCC2)C1 ZINC000053035306 173381688 /nfs/dbraw/zinc/38/16/88/173381688.db2.gz GQMPSKQIBLIPAI-CHWSQXEVSA-N 1 3 224.392 2.497 10 0 BEAEHO C[NH2+]Cc1ccccc1CN(CCOC)C1CC1 ZINC000052542539 173390313 /nfs/dbraw/zinc/39/03/13/173390313.db2.gz HHPJHKNKDXDASF-UHFFFAOYSA-N 1 3 248.370 2.017 10 0 BEAEHO COCCCCN1CC[C@@H](C[NH2+]C(C)(C)C)C1 ZINC000053033710 174192840 /nfs/dbraw/zinc/19/28/40/174192840.db2.gz ORCXEQHFGNBUPY-ZDUSSCGKSA-N 1 3 242.407 2.123 10 0 BEAEHO COCCCCN1CC[C@H](C[NH2+]C(C)(C)C)C1 ZINC000053033712 174194354 /nfs/dbraw/zinc/19/43/54/174194354.db2.gz ORCXEQHFGNBUPY-CYBMUJFWSA-N 1 3 242.407 2.123 10 0 BEAEHO COCC[NH2+]CCCCN1Cc2ccccc2C1 ZINC000053499350 174331933 /nfs/dbraw/zinc/33/19/33/174331933.db2.gz JBTLBIZUBRTASG-UHFFFAOYSA-N 1 3 248.370 2.018 10 0 BEAEHO COc1ccc([C@H](C)NC[C@@H]2CC[N@H+](C)C2)cc1 ZINC000037646154 175188880 /nfs/dbraw/zinc/18/88/80/175188880.db2.gz UNDVNAGJIUOELQ-STQMWFEESA-N 1 3 248.370 2.298 10 0 BEAEHO COc1ccc([C@H](C)NC[C@@H]2CC[N@@H+](C)C2)cc1 ZINC000037646154 175188881 /nfs/dbraw/zinc/18/88/81/175188881.db2.gz UNDVNAGJIUOELQ-STQMWFEESA-N 1 3 248.370 2.298 10 0 BEAEHO CSc1ccc([C@H](C)NCCC[NH3+])cc1 ZINC000037713436 175578199 /nfs/dbraw/zinc/57/81/99/175578199.db2.gz VNHJZXURNGGIFM-JTQLQIEISA-N 1 3 224.373 2.408 10 0 BEAEHO C[C@@H](c1ccccc1)N1CCC[NH2+]CCC1 ZINC000049664315 176021766 /nfs/dbraw/zinc/02/17/66/176021766.db2.gz RAPWJOLKNOLLKW-ZDUSSCGKSA-N 1 3 218.344 2.433 10 0 BEAEHO C[C@@H](c1ccccc1)[NH+]1CCCNCCC1 ZINC000049664315 176021768 /nfs/dbraw/zinc/02/17/68/176021768.db2.gz RAPWJOLKNOLLKW-ZDUSSCGKSA-N 1 3 218.344 2.433 10 0 BEAEHO C[C@@H](c1ccccc1)[N@@H+]1CCCN[C@H](C)C1 ZINC000062609101 176022282 /nfs/dbraw/zinc/02/22/82/176022282.db2.gz GLJUBZMTNAQDNG-OLZOCXBDSA-N 1 3 218.344 2.431 10 0 BEAEHO C[C@@H](c1ccccc1)[N@H+]1CCCN[C@H](C)C1 ZINC000062609101 176022283 /nfs/dbraw/zinc/02/22/83/176022283.db2.gz GLJUBZMTNAQDNG-OLZOCXBDSA-N 1 3 218.344 2.431 10 0 BEAEHO C[C@@H]1CC[N@H+](CC2CCCC2)CCCN1 ZINC000049666001 176168892 /nfs/dbraw/zinc/16/88/92/176168892.db2.gz QVCYXJWECYHROR-GFCCVEGCSA-N 1 3 210.365 2.251 10 0 BEAEHO C[C@@H]1CC[N@@H+](CC2CCCC2)CCCN1 ZINC000049666001 176168894 /nfs/dbraw/zinc/16/88/94/176168894.db2.gz QVCYXJWECYHROR-GFCCVEGCSA-N 1 3 210.365 2.251 10 0 BEAEHO C[C@@H]1CC[C@@H](CN)C[N@@H+]1CCC(C)(C)C ZINC000042427493 176202153 /nfs/dbraw/zinc/20/21/53/176202153.db2.gz UQKOUERYGKPTGQ-NEPJUHHUSA-N 1 3 212.381 2.482 10 0 BEAEHO C[C@@H]1CC[C@@H](CN)C[N@H+]1CCC(C)(C)C ZINC000042427493 176202154 /nfs/dbraw/zinc/20/21/54/176202154.db2.gz UQKOUERYGKPTGQ-NEPJUHHUSA-N 1 3 212.381 2.482 10 0 BEAEHO C[C@@H]1CC[C@@H](C[NH3+])CN1Cc1ccccc1 ZINC000042427362 176202923 /nfs/dbraw/zinc/20/29/23/176202923.db2.gz TYQOEBOKARBTQU-OCCSQVGLSA-N 1 3 218.344 2.246 10 0 BEAEHO C[C@@H]1CNCCC[N@@H+](C2CCCCC2)C1 ZINC000049665030 176324607 /nfs/dbraw/zinc/32/46/07/176324607.db2.gz MBOQMLQPOQGJCS-GFCCVEGCSA-N 1 3 210.365 2.251 10 0 BEAEHO C[C@@H]1CNCCC[N@H+](C2CCCCC2)C1 ZINC000049665030 176324608 /nfs/dbraw/zinc/32/46/08/176324608.db2.gz MBOQMLQPOQGJCS-GFCCVEGCSA-N 1 3 210.365 2.251 10 0 BEAEHO C[C@@H]1CNC[C@@H](C)C[NH+](C2CCCCC2)C1 ZINC000049665035 176328776 /nfs/dbraw/zinc/32/87/76/176328776.db2.gz KOGHYQOULZTQSE-CHWSQXEVSA-N 1 3 224.392 2.497 10 0 BEAEHO C[C@H]1CCCN1Cc1ccc(C(N)=[NH2+])cc1F ZINC000037911067 177110293 /nfs/dbraw/zinc/11/02/93/177110293.db2.gz JSMRXWKKEWHQAV-VIFPVBQESA-N 1 3 235.306 2.094 10 0 BEAEHO C[C@H]1CCCN1Cc1cc(C[NH3+])ccc1F ZINC000037910076 177111002 /nfs/dbraw/zinc/11/10/02/177111002.db2.gz VSSWZXRNMNPJGC-JTQLQIEISA-N 1 3 222.307 2.269 10 0 BEAEHO C[C@H]1CC[NH+](CC2CCC2)CC[C@H](C)N1 ZINC000049665865 177158066 /nfs/dbraw/zinc/15/80/66/177158066.db2.gz MGQQGJCJNJAYPL-RYUDHWBXSA-N 1 3 210.365 2.249 10 0 BEAEHO C[C@H]1CC[C@@H](CN)C[N@@H+]1CCC(C)(C)C ZINC000042427494 177189538 /nfs/dbraw/zinc/18/95/38/177189538.db2.gz UQKOUERYGKPTGQ-RYUDHWBXSA-N 1 3 212.381 2.482 10 0 BEAEHO C[C@H]1CC[C@@H](CN)C[N@H+]1CCC(C)(C)C ZINC000042427494 177189539 /nfs/dbraw/zinc/18/95/39/177189539.db2.gz UQKOUERYGKPTGQ-RYUDHWBXSA-N 1 3 212.381 2.482 10 0 BEAEHO C[C@H]1CC[C@H](CN)C[N@@H+]1CC1CCCC1 ZINC000042427488 177201184 /nfs/dbraw/zinc/20/11/84/177201184.db2.gz PPPDKNRTKUJMCH-WCQYABFASA-N 1 3 210.365 2.236 10 0 BEAEHO C[C@H]1CC[C@H](CN)C[N@H+]1CC1CCCC1 ZINC000042427488 177201187 /nfs/dbraw/zinc/20/11/87/177201187.db2.gz PPPDKNRTKUJMCH-WCQYABFASA-N 1 3 210.365 2.236 10 0 BEAEHO C[C@@H]1CO[C@@H](C)CN1CCCC[NH2+]C(C)(C)C ZINC000052476236 177247882 /nfs/dbraw/zinc/24/78/82/177247882.db2.gz YJUJCCXTFNVEIQ-OLZOCXBDSA-N 1 3 242.407 2.264 10 0 BEAEHO C[C@@H]1CN([C@@H]2CCCCC[C@@H]2C[NH3+])C[C@H](C)O1 ZINC000037157216 177275581 /nfs/dbraw/zinc/27/55/81/177275581.db2.gz UPXAXZZNSBLZRV-XJFOESAGSA-N 1 3 240.391 2.003 10 0 BEAEHO C[C@H]1COCCN1CCCCC[NH2+]C(C)(C)C ZINC000052476030 177290568 /nfs/dbraw/zinc/29/05/68/177290568.db2.gz OZFNRKKNVSVKPX-ZDUSSCGKSA-N 1 3 242.407 2.266 10 0 BEAEHO C[C@H]1C[C@@H](N)[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000068593050 177326587 /nfs/dbraw/zinc/32/65/87/177326587.db2.gz MPGWATXLKGPBOP-SGMGOOAPSA-N 1 3 218.344 2.244 10 0 BEAEHO C[C@H]1C[C@@H](N)[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000068593050 177326588 /nfs/dbraw/zinc/32/65/88/177326588.db2.gz MPGWATXLKGPBOP-SGMGOOAPSA-N 1 3 218.344 2.244 10 0 BEAEHO C[C@H]1C[C@H](C)C[NH+](Cc2occc2CN)C1 ZINC000052420647 177358535 /nfs/dbraw/zinc/35/85/35/177358535.db2.gz YPJLCHKVUMRXSG-QWRGUYRKSA-N 1 3 222.332 2.216 10 0 BEAEHO C[C@H](NCC1=CCCCC1)[C@@H]1CC[NH2+]C1 ZINC000400697978 226349478 /nfs/dbraw/zinc/34/94/78/226349478.db2.gz JMJYFPGMEWBMPI-WCQYABFASA-N 1 3 208.349 2.074 10 0 BEAEHO Cc1cc(NC[C@@H](C)[NH3+])c2ccccc2n1 ZINC000082575555 487678381 /nfs/dbraw/zinc/67/83/81/487678381.db2.gz ADJXUFVJDFRXEP-SECBINFHSA-N 1 3 215.300 2.302 10 0 BEAEHO C[C@@H]([NH2+]C[C@H]1CC[C@@H](C)C1)[C@H]1CCCNC1 ZINC000572593361 322994999 /nfs/dbraw/zinc/99/49/99/322994999.db2.gz NSVOIMKQFZLTOY-MQYQWHSLSA-N 1 3 224.392 2.400 10 0 BEAEHO C[C@H]([NH2+]C[C@@]1(C)CCCS1)[C@H]1CCCNC1 ZINC000567642544 323034406 /nfs/dbraw/zinc/03/44/06/323034406.db2.gz STPJWAWPMBDMTB-RWMBFGLXSA-N 1 3 242.432 2.250 10 0 BEAEHO CC(C)SCCN[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000571669318 323177107 /nfs/dbraw/zinc/17/71/07/323177107.db2.gz GNAFTAHDJRBWNB-NEPJUHHUSA-N 1 3 230.421 2.106 10 0 BEAEHO CC(C)SCC[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000571669318 323177108 /nfs/dbraw/zinc/17/71/08/323177108.db2.gz GNAFTAHDJRBWNB-NEPJUHHUSA-N 1 3 230.421 2.106 10 0 BEAEHO C[C@@H]([NH2+]CC1CCSCC1)[C@H]1CCCNC1 ZINC000566908916 326092954 /nfs/dbraw/zinc/09/29/54/326092954.db2.gz GRUXSNXTSQETBN-YPMHNXCESA-N 1 3 242.432 2.107 10 0 BEAEHO C[C@H]([NH2+]C[C@H]1CC1(C)C)[C@@H]1CCCNC1 ZINC000567579838 326221991 /nfs/dbraw/zinc/22/19/91/326221991.db2.gz KLNKPRACJOQONU-QJPTWQEYSA-N 1 3 210.365 2.010 10 0 BEAEHO [NH3+]C1(CNC[C@H]2CCCCC2(F)F)CCC1 ZINC000390931028 488184617 /nfs/dbraw/zinc/18/46/17/488184617.db2.gz DKGNBABFWLNWSL-SNVBAGLBSA-N 1 3 232.318 2.283 10 0 BEAEHO COCC[C@H](C)[N@@H+]1CCC[C@]12CC[C@@H](C)NC2 ZINC000757129521 582503939 /nfs/dbraw/zinc/50/39/39/582503939.db2.gz LVPKSLOZKOSVLV-HZSPNIEDSA-N 1 3 240.391 2.018 10 0 BEAEHO COCC[C@H](C)[N@H+]1CCC[C@]12CC[C@@H](C)NC2 ZINC000757129521 582503941 /nfs/dbraw/zinc/50/39/41/582503941.db2.gz LVPKSLOZKOSVLV-HZSPNIEDSA-N 1 3 240.391 2.018 10 0 BEAEHO C[N@@H+]1CCC[C@]2(CC1)N[C@H](C(C)(C)C)CCO2 ZINC000757141652 582522307 /nfs/dbraw/zinc/52/23/07/582522307.db2.gz PQRGPTKUGIKWPX-JSGCOSHPSA-N 1 3 240.391 2.223 10 0 BEAEHO C[N@H+]1CCC[C@]2(CC1)N[C@H](C(C)(C)C)CCO2 ZINC000757141652 582522309 /nfs/dbraw/zinc/52/23/09/582522309.db2.gz PQRGPTKUGIKWPX-JSGCOSHPSA-N 1 3 240.391 2.223 10 0 BEAEHO CN1CCC[C@]2(CC1)[NH2+][C@H](C(C)(C)C)CCO2 ZINC000757141652 582522315 /nfs/dbraw/zinc/52/23/15/582522315.db2.gz PQRGPTKUGIKWPX-JSGCOSHPSA-N 1 3 240.391 2.223 10 0 BEAEHO CCN1CCC2(CC1)[NH2+]C[C@@H](C(C)(C)C)CO2 ZINC000757150077 582533716 /nfs/dbraw/zinc/53/37/16/582533716.db2.gz PAVKOXZEQMKBFE-GFCCVEGCSA-N 1 3 240.391 2.081 10 0 BEAEHO CC(C)CN1CC[C@H]([NH+]2CCCC2)[C@H](C)C1 ZINC000073654308 517418744 /nfs/dbraw/zinc/41/87/44/517418744.db2.gz GKTCJDLUNONRIG-KGLIPLIRSA-N 1 3 224.392 2.449 10 0 BEAEHO CC(C)(C)COc1cccc(C[NH2+]CCN)c1 ZINC000072226467 518671236 /nfs/dbraw/zinc/67/12/36/518671236.db2.gz LYMGJMNSYOFZSG-UHFFFAOYSA-N 1 3 236.359 2.160 10 0 BEAEHO CCC[NH2+][C@@H]1CCN(CC(C)C)[C@@H](C)C1 ZINC000219777163 520021822 /nfs/dbraw/zinc/02/18/22/520021822.db2.gz ZVUSKHBWKOLQFT-QWHCGFSZSA-N 1 3 212.381 2.495 10 0 BEAEHO CCC[NH2+][C@H]1CCN(CC(C)C)[C@@H](C)C1 ZINC000219777237 520094203 /nfs/dbraw/zinc/09/42/03/520094203.db2.gz ZVUSKHBWKOLQFT-STQMWFEESA-N 1 3 212.381 2.495 10 0 BEAEHO C[C@@H]1C[C@H](N)C[N@H+](Cc2ccccc2)[C@H]1C ZINC000238854459 525417997 /nfs/dbraw/zinc/41/79/97/525417997.db2.gz NVIRYIHNKWLTFW-DYEKYZERSA-N 1 3 218.344 2.244 10 0 BEAEHO C[C@@H]1C[C@H](N)C[N@@H+](Cc2ccccc2)[C@H]1C ZINC000238854459 525418004 /nfs/dbraw/zinc/41/80/04/525418004.db2.gz NVIRYIHNKWLTFW-DYEKYZERSA-N 1 3 218.344 2.244 10 0 BEAEHO CC[C@H]1CCC[N@@H+]1[C@H]1[C@H](C)CNC[C@@H]1C ZINC000685951933 566486860 /nfs/dbraw/zinc/48/68/60/566486860.db2.gz ZJBBRRYOAUXZNT-QNWHQSFQSA-N 1 3 210.365 2.105 10 0 BEAEHO CC[C@H]1CCC[N@H+]1[C@H]1[C@H](C)CNC[C@@H]1C ZINC000685951933 566486868 /nfs/dbraw/zinc/48/68/68/566486868.db2.gz ZJBBRRYOAUXZNT-QNWHQSFQSA-N 1 3 210.365 2.105 10 0 BEAEHO CC[C@@H]1CCC[N@@H+]1C1[C@H](C)CNC[C@H]1C ZINC000685951932 566486926 /nfs/dbraw/zinc/48/69/26/566486926.db2.gz ZJBBRRYOAUXZNT-IJLUTSLNSA-N 1 3 210.365 2.105 10 0 BEAEHO CC[C@@H]1CCC[N@H+]1C1[C@H](C)CNC[C@H]1C ZINC000685951932 566486933 /nfs/dbraw/zinc/48/69/33/566486933.db2.gz ZJBBRRYOAUXZNT-IJLUTSLNSA-N 1 3 210.365 2.105 10 0 BEAEHO C[C@@H](C1CC1)[N@@H+]1CCC[C@@]12CNC[C@@H](C)C2 ZINC000757131250 582505710 /nfs/dbraw/zinc/50/57/10/582505710.db2.gz PXKVBVDERKLGGI-SGMGOOAPSA-N 1 3 222.376 2.249 10 0 BEAEHO C[C@@H](C1CC1)[N@H+]1CCC[C@@]12CNC[C@@H](C)C2 ZINC000757131250 582505712 /nfs/dbraw/zinc/50/57/12/582505712.db2.gz PXKVBVDERKLGGI-SGMGOOAPSA-N 1 3 222.376 2.249 10 0 BEAEHO C[C@@H](C1CC1)N1CCC[C@@]12C[NH2+]C[C@@H](C)C2 ZINC000757131250 582505714 /nfs/dbraw/zinc/50/57/14/582505714.db2.gz PXKVBVDERKLGGI-SGMGOOAPSA-N 1 3 222.376 2.249 10 0 BEAEHO C[C@@H]1NCCC[C@]12CCC[N@@H+]2CCC1CC1 ZINC000757133764 582510477 /nfs/dbraw/zinc/51/04/77/582510477.db2.gz UEEGGKJLMWBYIS-JSGCOSHPSA-N 1 3 222.376 2.393 10 0 BEAEHO C[C@@H]1NCCC[C@]12CCC[N@H+]2CCC1CC1 ZINC000757133764 582510478 /nfs/dbraw/zinc/51/04/78/582510478.db2.gz UEEGGKJLMWBYIS-JSGCOSHPSA-N 1 3 222.376 2.393 10 0 BEAEHO C[C@@H]1[NH2+]CCC[C@]12CCCN2CCC1CC1 ZINC000757133764 582510479 /nfs/dbraw/zinc/51/04/79/582510479.db2.gz UEEGGKJLMWBYIS-JSGCOSHPSA-N 1 3 222.376 2.393 10 0 BEAEHO CC(C)[C@@H]1[NH2+]C2(CCN(C)CC2)OCC1(C)C ZINC000757153258 582538336 /nfs/dbraw/zinc/53/83/36/582538336.db2.gz ULRFHSUIRGELSL-LBPRGKRZSA-N 1 3 240.391 2.079 10 0 BEAEHO C[C@@H]1C[C@H](C)[C@H](C[NH3+])[C@H](c2ccccc2)N1 ZINC000757218701 582563875 /nfs/dbraw/zinc/56/38/75/582563875.db2.gz WQSPSONBJHHWCN-XCCSTKFXSA-N 1 3 218.344 2.321 10 0 BEAEHO C[C@@H]1CC[C@@]2(CCC[N@@H+]2CC2CC2)CN1 ZINC000757129733 586426229 /nfs/dbraw/zinc/42/62/29/586426229.db2.gz MUVWJIRIDRPGMR-YPMHNXCESA-N 1 3 208.349 2.003 10 0 BEAEHO C[C@@H]1CC[C@@]2(CCC[N@H+]2CC2CC2)CN1 ZINC000757129733 586426230 /nfs/dbraw/zinc/42/62/30/586426230.db2.gz MUVWJIRIDRPGMR-YPMHNXCESA-N 1 3 208.349 2.003 10 0 BEAEHO C[C@@H]1C[C@H](N)C[NH2+][C@@H]1c1cccc2cc[nH]c21 ZINC000757218277 586441675 /nfs/dbraw/zinc/44/16/75/586441675.db2.gz UVPNDTQWTUYJTK-CDMKHQONSA-N 1 3 229.327 2.166 10 0 BEAEHO C[C@@H]1CC[C@@H](C[NH3+])[C@H](c2ccccc2)N1 ZINC000757217427 586441853 /nfs/dbraw/zinc/44/18/53/586441853.db2.gz RTWUVJCFIAWECV-WXHSDQCUSA-N 1 3 204.317 2.075 10 0 BEAEHO CC1(c2ccc([C@H]3CNC[C@@H]([NH3+])C3)cc2)CC1 ZINC000757219344 586442189 /nfs/dbraw/zinc/44/21/89/586442189.db2.gz WXHSQQWXRJKALL-OCCSQVGLSA-N 1 3 230.355 2.142 10 0 BEAEHO [NH3+]C[C@H]1CNC[C@@H](c2cscc2C(F)F)C1 ZINC000757237020 586443594 /nfs/dbraw/zinc/44/35/94/586443594.db2.gz PCLCTBSNIHTMNJ-YUMQZZPRSA-N 1 3 246.326 2.338 10 0 BEAEHO NC[C@H]1C[NH2+]C[C@@H](c2cscc2C(F)F)C1 ZINC000757237020 586443595 /nfs/dbraw/zinc/44/35/95/586443595.db2.gz PCLCTBSNIHTMNJ-YUMQZZPRSA-N 1 3 246.326 2.338 10 0 BEAEHO CCCN1CC[C@H](C[NH2+][C@@H]2CCCSC2)C1 ZINC000128247387 590949845 /nfs/dbraw/zinc/94/98/45/590949845.db2.gz BBEPVTJNTYGMKM-CHWSQXEVSA-N 1 3 242.432 2.204 10 0 BEAEHO CC(C)C[N@H+](CCCNC1CC1)C1CC1 ZINC000042559257 631732016 /nfs/dbraw/zinc/73/20/16/631732016.db2.gz GAUAJLAHHZOZKT-UHFFFAOYSA-N 1 3 210.365 2.249 10 0 BEAEHO CC(C)C[N@@H+](CCCNC1CC1)C1CC1 ZINC000042559257 631732020 /nfs/dbraw/zinc/73/20/20/631732020.db2.gz GAUAJLAHHZOZKT-UHFFFAOYSA-N 1 3 210.365 2.249 10 0 BEAEHO Cc1cc(CNCCC[NH3+])ccc1Cl ZINC000163298625 636399980 /nfs/dbraw/zinc/39/99/80/636399980.db2.gz YKPORFURGZZHPY-UHFFFAOYSA-N 1 3 212.724 2.087 10 0 BEAEHO c1cc(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)ccn1 ZINC000049568930 1171705534 /nfs/dbraw/zinc/70/55/34/1171705534.db2.gz OEWYGVRZCRTKIU-CHWSQXEVSA-N 1 3 217.316 2.120 10 0 BEAEHO c1cc(N[C@@H]2CC[N@H+]3CCCC[C@H]23)ccn1 ZINC000049568930 1171705541 /nfs/dbraw/zinc/70/55/41/1171705541.db2.gz OEWYGVRZCRTKIU-CHWSQXEVSA-N 1 3 217.316 2.120 10 0 BEAEHO CCC(CC)(C[NH2+]C1CCNCC1)SC ZINC000232860997 168326126 /nfs/dbraw/zinc/32/61/26/168326126.db2.gz CCWUWULYVBOAFU-UHFFFAOYSA-N 1 3 230.421 2.250 10 0 BEAEHO CCCN(C)Cc1cc(F)cc(C[NH3+])c1 ZINC000162823938 538925368 /nfs/dbraw/zinc/92/53/68/538925368.db2.gz AZUUPGPZAHWKHT-UHFFFAOYSA-N 1 3 210.296 2.126 10 0 BEAEHO C[C@@H](NCC1=CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000576742965 365672566 /nfs/dbraw/zinc/67/25/66/365672566.db2.gz MZGURPUZXBAUFC-TZMCWYRMSA-N 1 3 222.376 2.465 10 0 BEAEHO FC1(F)CCCC[C@H]1C[N@@H+]1CCCNCC1 ZINC000381729043 398254696 /nfs/dbraw/zinc/25/46/96/398254696.db2.gz SLDWPTHUWFQBKQ-NSHDSACASA-N 1 3 232.318 2.107 10 0 BEAEHO FC1(F)CCCC[C@H]1C[N@H+]1CCCNCC1 ZINC000381729043 398254700 /nfs/dbraw/zinc/25/47/00/398254700.db2.gz SLDWPTHUWFQBKQ-NSHDSACASA-N 1 3 232.318 2.107 10 0 BEAEHO C[C@H](NCC1=CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000576742960 365673598 /nfs/dbraw/zinc/67/35/98/365673598.db2.gz MZGURPUZXBAUFC-GXTWGEPZSA-N 1 3 222.376 2.465 10 0 BEAEHO CCC(CC)[NH+]1C[C@H](C)CNC[C@@H](C)C1 ZINC000049664941 168375946 /nfs/dbraw/zinc/37/59/46/168375946.db2.gz SZCNOSCRGHIBAZ-VXGBXAGGSA-N 1 3 212.381 2.352 10 0 BEAEHO CC[C@H](NCCC[NH3+])c1ccc(F)cc1 ZINC000037713249 342943339 /nfs/dbraw/zinc/94/33/39/342943339.db2.gz FLGBGQAROOBLDV-LBPRGKRZSA-N 1 3 210.296 2.215 10 0 BEAEHO CC[C@@H]1CC[C@H](CCN2CCCC2)[NH2+]C1 ZINC000238262131 343252591 /nfs/dbraw/zinc/25/25/91/343252591.db2.gz ZNHJTBIWSIYVQQ-CHWSQXEVSA-N 1 3 210.365 2.251 10 0 BEAEHO CCCCN1CC[C@@H]([NH2+]C2CC2)C[C@@H]1C ZINC000073656077 187261341 /nfs/dbraw/zinc/26/13/41/187261341.db2.gz SMBBDDCAEVIFFW-WCQYABFASA-N 1 3 210.365 2.391 10 0 BEAEHO CCCC[N@@H+]1CC[C@@H](NC2CC2)C[C@@H]1C ZINC000073656077 187261343 /nfs/dbraw/zinc/26/13/43/187261343.db2.gz SMBBDDCAEVIFFW-WCQYABFASA-N 1 3 210.365 2.391 10 0 BEAEHO CCCC[N@H+]1CC[C@@H](NC2CC2)C[C@@H]1C ZINC000073656077 187261345 /nfs/dbraw/zinc/26/13/45/187261345.db2.gz SMBBDDCAEVIFFW-WCQYABFASA-N 1 3 210.365 2.391 10 0 BEAEHO C[C@@H]1CCC[C@H](C)[C@H]1[NH+]1CCC(N)CC1 ZINC000252200744 343529054 /nfs/dbraw/zinc/52/90/54/343529054.db2.gz TZUKKZHRDAMJLN-PJXYFTJBSA-N 1 3 210.365 2.234 10 0 BEAEHO C(CN1CCCCCCC1)[C@@H]1CCC[NH2+]1 ZINC000042171938 187291115 /nfs/dbraw/zinc/29/11/15/187291115.db2.gz SOYSNYHNINFQNC-ZDUSSCGKSA-N 1 3 210.365 2.395 10 0 BEAEHO Cc1cc(N(C)C[C@H](C)[NH3+])c2ccccc2n1 ZINC000104315372 187292316 /nfs/dbraw/zinc/29/23/16/187292316.db2.gz MTNJJRIEJYOSTN-JTQLQIEISA-N 1 3 229.327 2.327 10 0 BEAEHO C1CCCC([NH+]2CCCNCCC2)CC1 ZINC000049665852 187294154 /nfs/dbraw/zinc/29/41/54/187294154.db2.gz QSTKKQAFBQBVQR-UHFFFAOYSA-N 1 3 210.365 2.395 10 0 BEAEHO COc1ccc(CN2C[C@@H](C)[C@@H](C[NH3+])C2)cc1C ZINC000634998153 345197374 /nfs/dbraw/zinc/19/73/74/345197374.db2.gz BMDVDFQNAVSIOM-OCCSQVGLSA-N 1 3 248.370 2.030 10 0 BEAEHO CCc1ccc(CN2C[C@@H](C)[C@@H](C[NH3+])C2)s1 ZINC000634998168 345197411 /nfs/dbraw/zinc/19/74/11/345197411.db2.gz BTJGHYYNNDMFQW-MNOVXSKESA-N 1 3 238.400 2.337 10 0 BEAEHO C[C@H]1C[N@H+](CC(C)(C)c2ccccc2)C[C@H]1CN ZINC000634998957 345199015 /nfs/dbraw/zinc/19/90/15/345199015.db2.gz NMMOAAJGRCWMJB-UONOGXRCSA-N 1 3 246.398 2.491 10 0 BEAEHO C[C@H]1C[N@@H+](CC(C)(C)c2ccccc2)C[C@H]1CN ZINC000634998957 345199016 /nfs/dbraw/zinc/19/90/16/345199016.db2.gz NMMOAAJGRCWMJB-UONOGXRCSA-N 1 3 246.398 2.491 10 0 BEAEHO C[C@H]1CN(CC(C)(C)c2ccccc2)C[C@H]1C[NH3+] ZINC000634998957 345199019 /nfs/dbraw/zinc/19/90/19/345199019.db2.gz NMMOAAJGRCWMJB-UONOGXRCSA-N 1 3 246.398 2.491 10 0 BEAEHO C[C@H]([NH2+][C@@H]1CCCC12CC2)[C@H]1CCCNC1 ZINC000634998033 345202707 /nfs/dbraw/zinc/20/27/07/345202707.db2.gz ZHZYUFMZEFIQQX-RWMBFGLXSA-N 1 3 222.376 2.297 10 0 BEAEHO Cc1cccc(CCN2[C@@H]3CC[C@H]2CC([NH3+])C3)c1 ZINC000054628453 187318373 /nfs/dbraw/zinc/31/83/73/187318373.db2.gz BETOKMYQIYGBHZ-MQVJKMGUSA-N 1 3 244.382 2.492 10 0 BEAEHO CC(C)[NH+](C[C@@H]1CCCCNC1)C(C)C ZINC000669378406 537966932 /nfs/dbraw/zinc/96/69/32/537966932.db2.gz DDCXPVUVWXCUJW-CYBMUJFWSA-N 1 3 212.381 2.495 10 0 BEAEHO Cc1cccc(C[N@@H+]2CCCN[C@H](C)C2)c1 ZINC000062609096 179074696 /nfs/dbraw/zinc/07/46/96/179074696.db2.gz DEYSSRPXHOJXDJ-CYBMUJFWSA-N 1 3 218.344 2.179 10 0 BEAEHO Cc1cccc(C[N@H+]2CCCN[C@H](C)C2)c1 ZINC000062609096 179074698 /nfs/dbraw/zinc/07/46/98/179074698.db2.gz DEYSSRPXHOJXDJ-CYBMUJFWSA-N 1 3 218.344 2.179 10 0 BEAEHO CN(Cc1cc(Cl)cc(C[NH3+])c1)C1CC1 ZINC000669380191 537984923 /nfs/dbraw/zinc/98/49/23/537984923.db2.gz UXGPOCSSGJEHJC-UHFFFAOYSA-N 1 3 224.735 2.393 10 0 BEAEHO Cc1ccccc1C1CC([NH2+]CCCN)C1 ZINC000037713654 179256431 /nfs/dbraw/zinc/25/64/31/179256431.db2.gz UGVZKPCWZLUVJO-UHFFFAOYSA-N 1 3 218.344 2.179 10 0 BEAEHO Cc1ccccc1C1CC(NCCC[NH3+])C1 ZINC000037713654 179256433 /nfs/dbraw/zinc/25/64/33/179256433.db2.gz UGVZKPCWZLUVJO-UHFFFAOYSA-N 1 3 218.344 2.179 10 0 BEAEHO Cc1ccccc1C[N@@H+](C)[C@H]1CCC[C@@H]1N ZINC000042436032 179270723 /nfs/dbraw/zinc/27/07/23/179270723.db2.gz GQXZYQXXBBFNNQ-KBPBESRZSA-N 1 3 218.344 2.307 10 0 BEAEHO Cc1ccccc1C[N@H+](C)[C@H]1CCC[C@@H]1N ZINC000042436032 179270724 /nfs/dbraw/zinc/27/07/24/179270724.db2.gz GQXZYQXXBBFNNQ-KBPBESRZSA-N 1 3 218.344 2.307 10 0 BEAEHO Cc1ccccc1CN1CCC[NH2+]C[C@H](C)C1 ZINC000049666757 179274445 /nfs/dbraw/zinc/27/44/45/179274445.db2.gz RWKCPYUNAWJFMF-ZDUSSCGKSA-N 1 3 232.371 2.426 10 0 BEAEHO Cc1ccccc1[C@@H](C)[N@@H+]1CCCNCC1 ZINC000022100905 179318229 /nfs/dbraw/zinc/31/82/29/179318229.db2.gz WJUIMHAJTSIFDX-CYBMUJFWSA-N 1 3 218.344 2.351 10 0 BEAEHO Cc1ccccc1[C@@H](C)[N@H+]1CCCNCC1 ZINC000022100905 179318231 /nfs/dbraw/zinc/31/82/31/179318231.db2.gz WJUIMHAJTSIFDX-CYBMUJFWSA-N 1 3 218.344 2.351 10 0 BEAEHO Cc1ccccc1[C@H](C)[N@@H+]1CC[C@H](CN)C1 ZINC000049526093 179335246 /nfs/dbraw/zinc/33/52/46/179335246.db2.gz AOFCKLMJEGXDGQ-QWHCGFSZSA-N 1 3 218.344 2.337 10 0 BEAEHO Cc1ccccc1[C@H](C)[N@H+]1CC[C@H](CN)C1 ZINC000049526093 179335248 /nfs/dbraw/zinc/33/52/48/179335248.db2.gz AOFCKLMJEGXDGQ-QWHCGFSZSA-N 1 3 218.344 2.337 10 0 BEAEHO C[C@H](Cc1ccccc1)[N@@H+]1CCC[C@H](CN)C1 ZINC000062179949 350223982 /nfs/dbraw/zinc/22/39/82/350223982.db2.gz FTIJVWUYXLEMTG-UKRRQHHQSA-N 1 3 232.371 2.288 10 0 BEAEHO C[C@H](Cc1ccccc1)[N@H+]1CCC[C@H](CN)C1 ZINC000062179949 350223986 /nfs/dbraw/zinc/22/39/86/350223986.db2.gz FTIJVWUYXLEMTG-UKRRQHHQSA-N 1 3 232.371 2.288 10 0 BEAEHO C[C@H](Cc1ccccc1)N1CCC[C@H](C[NH3+])C1 ZINC000062179949 350223988 /nfs/dbraw/zinc/22/39/88/350223988.db2.gz FTIJVWUYXLEMTG-UKRRQHHQSA-N 1 3 232.371 2.288 10 0 BEAEHO C[C@@]1(CN2CCC(C)(C)CC2)CC[NH2+]C1 ZINC000062912479 350562756 /nfs/dbraw/zinc/56/27/56/350562756.db2.gz QCZVPDVYKXEELL-CYBMUJFWSA-N 1 3 210.365 2.108 10 0 BEAEHO CNc1ccc([C@H]2CCCC[N@@H+]2CCN)cc1 ZINC000616614756 350837927 /nfs/dbraw/zinc/83/79/27/350837927.db2.gz KVUPUQQFSRREMD-CQSZACIVSA-N 1 3 233.359 2.214 10 0 BEAEHO CNc1ccc([C@H]2CCCC[N@H+]2CCN)cc1 ZINC000616614756 350837930 /nfs/dbraw/zinc/83/79/30/350837930.db2.gz KVUPUQQFSRREMD-CQSZACIVSA-N 1 3 233.359 2.214 10 0 BEAEHO [NH3+]CC=C1CCN(Cc2ccccc2)CC1 ZINC000069049692 351346982 /nfs/dbraw/zinc/34/69/82/351346982.db2.gz GWNREMJLIDWZKG-UHFFFAOYSA-N 1 3 216.328 2.168 10 0 BEAEHO CC[C@H](C)C[NH2+][C@@]12CCN[C@@H]1CCCC2 ZINC000725272149 538103844 /nfs/dbraw/zinc/10/38/44/538103844.db2.gz MZGLISZHZVHNPD-XQQFMLRXSA-N 1 3 210.365 2.297 10 0 BEAEHO C[C@H]1C[NH2+]CC[C@@H]1N(C)Cc1ccccc1 ZINC000307384498 352511438 /nfs/dbraw/zinc/51/14/38/352511438.db2.gz ITVSTUGUEOABOT-JSGCOSHPSA-N 1 3 218.344 2.116 10 0 BEAEHO C[C@H]1CNCC[C@@H]1[N@H+](C)Cc1ccccc1 ZINC000307384498 352511441 /nfs/dbraw/zinc/51/14/41/352511441.db2.gz ITVSTUGUEOABOT-JSGCOSHPSA-N 1 3 218.344 2.116 10 0 BEAEHO C[C@H]1CNCC[C@@H]1[N@@H+](C)Cc1ccccc1 ZINC000307384498 352511445 /nfs/dbraw/zinc/51/14/45/352511445.db2.gz ITVSTUGUEOABOT-JSGCOSHPSA-N 1 3 218.344 2.116 10 0 BEAEHO CCCCC[NH+]1C[C@@H](C)CNC[C@H](C)C1 ZINC000049663768 168702291 /nfs/dbraw/zinc/70/22/91/168702291.db2.gz LUGRNERPXPWZTQ-STQMWFEESA-N 1 3 212.381 2.354 10 0 BEAEHO C(C[NH2+]C1CCNCC1)COC1CCCCC1 ZINC000038040763 358482519 /nfs/dbraw/zinc/48/25/19/358482519.db2.gz BEQCTSQNVGPIJR-UHFFFAOYSA-N 1 3 240.391 2.067 10 0 BEAEHO C(CNC1CC[NH2+]CC1)COC1CCCCC1 ZINC000038040763 358482523 /nfs/dbraw/zinc/48/25/23/358482523.db2.gz BEQCTSQNVGPIJR-UHFFFAOYSA-N 1 3 240.391 2.067 10 0 BEAEHO [NH3+]C1([C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000215116872 363439248 /nfs/dbraw/zinc/43/92/48/363439248.db2.gz VIPFPSNLUKVPIB-AWEZNQCLSA-N 1 3 230.355 2.390 10 0 BEAEHO N=C1c2ccccc2CN1[C@H]1CC[N@@H+]2CCC[C@H]12 ZINC000049568790 181207686 /nfs/dbraw/zinc/20/76/86/181207686.db2.gz LBVVYPBMGIKTEE-KGLIPLIRSA-N 1 3 241.338 2.064 10 0 BEAEHO N=C1c2ccccc2CN1[C@H]1CC[N@H+]2CCC[C@H]12 ZINC000049568790 181207687 /nfs/dbraw/zinc/20/76/87/181207687.db2.gz LBVVYPBMGIKTEE-KGLIPLIRSA-N 1 3 241.338 2.064 10 0 BEAEHO CCNC[C@@H]1C[NH2+]C[C@H]1C1CCCCC1 ZINC000675050972 538473308 /nfs/dbraw/zinc/47/33/08/538473308.db2.gz DTYKPKJKKKERNM-OLZOCXBDSA-N 1 3 210.365 2.012 10 0 BEAEHO CCC[N@H+](C(C)C)C1[C@@H](C)CNC[C@@H]1C ZINC000685950984 538894412 /nfs/dbraw/zinc/89/44/12/538894412.db2.gz KPHRFJLPWKCAEX-RYUDHWBXSA-N 1 3 212.381 2.351 10 0 BEAEHO CCC[N@@H+](C(C)C)C1[C@@H](C)CNC[C@@H]1C ZINC000685950984 538894414 /nfs/dbraw/zinc/89/44/14/538894414.db2.gz KPHRFJLPWKCAEX-RYUDHWBXSA-N 1 3 212.381 2.351 10 0 BEAEHO C[C@@H]1CNC[C@@H](C)C1[N@@H+]1CCCC[C@@H]1C ZINC000685951050 538894490 /nfs/dbraw/zinc/89/44/90/538894490.db2.gz MIQVNLQGAQUFAL-UTUOFQBUSA-N 1 3 210.365 2.105 10 0 BEAEHO C[C@@H]1CNC[C@@H](C)C1[N@H+]1CCCC[C@@H]1C ZINC000685951050 538894491 /nfs/dbraw/zinc/89/44/91/538894491.db2.gz MIQVNLQGAQUFAL-UTUOFQBUSA-N 1 3 210.365 2.105 10 0 BEAEHO CCC[NH+](CCC)C1[C@H](C)CNC[C@H]1C ZINC000685951746 538895178 /nfs/dbraw/zinc/89/51/78/538895178.db2.gz XDLYRNYKXPXRDD-VXGBXAGGSA-N 1 3 212.381 2.352 10 0 BEAEHO C[C@@H]1CNC[C@H](C)[C@H]1[N@@H+]1CCC[C@@H](C)[C@@H]1C ZINC000685951777 538895185 /nfs/dbraw/zinc/89/51/85/538895185.db2.gz YBEXMWBJOJKQSU-DGTMBMJNSA-N 1 3 224.392 2.351 10 0 BEAEHO C[C@@H]1CNC[C@H](C)[C@H]1[N@H+]1CCC[C@@H](C)[C@@H]1C ZINC000685951777 538895186 /nfs/dbraw/zinc/89/51/86/538895186.db2.gz YBEXMWBJOJKQSU-DGTMBMJNSA-N 1 3 224.392 2.351 10 0 BEAEHO C[C@@H]1CNC[C@@H](C)C1[NH+]1CCCCCC1 ZINC000685951735 538895301 /nfs/dbraw/zinc/89/53/01/538895301.db2.gz WNPYJZRQRMVBCI-VXGBXAGGSA-N 1 3 210.365 2.106 10 0 BEAEHO C[C@@H](NCCc1ccsc1)[C@@H]1CCC[NH2+]C1 ZINC000584833977 358196889 /nfs/dbraw/zinc/19/68/89/358196889.db2.gz BCYZPULDEVOPCB-DGCLKSJQSA-N 1 3 238.400 2.268 10 0 BEAEHO C[C@@H]([NH2+]CCc1ccsc1)[C@@H]1CCCNC1 ZINC000584833977 358196892 /nfs/dbraw/zinc/19/68/92/358196892.db2.gz BCYZPULDEVOPCB-DGCLKSJQSA-N 1 3 238.400 2.268 10 0 BEAEHO CC(=[NH2+])N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000306571230 360457789 /nfs/dbraw/zinc/45/77/89/360457789.db2.gz GVHHBRRVHYGCAV-WFASDCNBSA-N 1 3 245.370 2.484 10 0 BEAEHO NC1(Cc2ccc(F)cc2Cl)CC[NH2+]CC1 ZINC000090557987 181333129 /nfs/dbraw/zinc/33/31/29/181333129.db2.gz APSAUZALWMUOOT-UHFFFAOYSA-N 1 3 242.725 2.103 10 0 BEAEHO [NH3+]C1(Cc2ccc(F)cc2Cl)CCNCC1 ZINC000090557987 181333132 /nfs/dbraw/zinc/33/31/32/181333132.db2.gz APSAUZALWMUOOT-UHFFFAOYSA-N 1 3 242.725 2.103 10 0 BEAEHO CCC(C)(C)CCN1C[C@@H](OC)C[C@]1(C)C[NH3+] ZINC000630357197 364079898 /nfs/dbraw/zinc/07/98/98/364079898.db2.gz COTQNSZZEDMAQW-GXTWGEPZSA-N 1 3 242.407 2.251 10 0 BEAEHO CO[C@@H]1CN(CCC2CCCC2)[C@@](C)(C[NH3+])C1 ZINC000630363759 364080874 /nfs/dbraw/zinc/08/08/74/364080874.db2.gz ZIOILAOVMCNSPB-UONOGXRCSA-N 1 3 240.391 2.005 10 0 BEAEHO CC(C)CC[NH2+][C@@]12CCN[C@H]1CCCC2 ZINC000725272958 541340610 /nfs/dbraw/zinc/34/06/10/541340610.db2.gz WDTFMLGJSGKQSU-STQMWFEESA-N 1 3 210.365 2.297 10 0 BEAEHO CCCCOCCC[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000574683566 365118242 /nfs/dbraw/zinc/11/82/42/365118242.db2.gz SCUSIQYLQQJZBH-KBPBESRZSA-N 1 3 242.407 2.171 10 0 BEAEHO CCOCC(C)(C)C[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000574747851 365133605 /nfs/dbraw/zinc/13/36/05/365133605.db2.gz RCHGQECTVDMDPO-QWHCGFSZSA-N 1 3 242.407 2.027 10 0 BEAEHO C[C@@H]([NH2+]CCC1(F)CCC1)[C@H]1CCCNC1 ZINC000581878532 367865292 /nfs/dbraw/zinc/86/52/92/367865292.db2.gz NDBNJWWHDSXGLN-NEPJUHHUSA-N 1 3 228.355 2.246 10 0 BEAEHO C[C@@H]([NH2+]CCC1(F)CCC1)[C@@H]1CCCNC1 ZINC000581878535 367865341 /nfs/dbraw/zinc/86/53/41/367865341.db2.gz NDBNJWWHDSXGLN-VXGBXAGGSA-N 1 3 228.355 2.246 10 0 BEAEHO C[C@H]([NH2+]C[C@H]1CCCSC1)[C@@H]1CCCNC1 ZINC000566672544 326072642 /nfs/dbraw/zinc/07/26/42/326072642.db2.gz CXQCNJIMHAXBAS-YNEHKIRRSA-N 1 3 242.432 2.107 10 0 BEAEHO COc1cccc([C@H](C)N2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000631840134 372636804 /nfs/dbraw/zinc/63/68/04/372636804.db2.gz PWIAYWFXDQKFHQ-MBNYWOFBSA-N 1 3 248.370 2.283 10 0 BEAEHO CC[C@@H](C)[C@H](N)C[NH2+]Cc1ccccc1 ZINC000040409695 373241085 /nfs/dbraw/zinc/24/10/85/373241085.db2.gz PPGAIVBQDXBIEF-DGCLKSJQSA-N 1 3 206.333 2.150 10 0 BEAEHO CCC[NH+](CCC)C[C@]1(CNCC)CCOC1 ZINC000051211299 169149641 /nfs/dbraw/zinc/14/96/41/169149641.db2.gz PBDATEHSOXLTCM-CQSZACIVSA-N 1 3 242.407 2.125 10 0 BEAEHO CCCN(CCC)C[C@]1(C[NH2+]CC)CCOC1 ZINC000051211299 169149646 /nfs/dbraw/zinc/14/96/46/169149646.db2.gz PBDATEHSOXLTCM-CQSZACIVSA-N 1 3 242.407 2.125 10 0 BEAEHO CCCN(CCN(C)C)c1ccccc1[C@@H](C)[NH3+] ZINC000045695113 169158286 /nfs/dbraw/zinc/15/82/86/169158286.db2.gz ZWUJPUSGSZEZEO-CYBMUJFWSA-N 1 3 249.402 2.484 10 0 BEAEHO CCC[N@@H+]1CCCC[C@H]1[C@@H]1CCCNC1 ZINC000068590735 169191062 /nfs/dbraw/zinc/19/10/62/169191062.db2.gz VQBZYKSDBIFFKV-OLZOCXBDSA-N 1 3 210.365 2.251 10 0 BEAEHO CCC[N@H+]1CCCC[C@H]1[C@@H]1CCCNC1 ZINC000068590735 169191064 /nfs/dbraw/zinc/19/10/64/169191064.db2.gz VQBZYKSDBIFFKV-OLZOCXBDSA-N 1 3 210.365 2.251 10 0 BEAEHO CCC[NH2+]CC[C@@H](C)N(CCC)CCN(C)C ZINC000052544295 169260035 /nfs/dbraw/zinc/26/00/35/169260035.db2.gz AQVRUSXZAMAYFB-CQSZACIVSA-N 1 3 243.439 2.038 10 0 BEAEHO CCC[NH2+]C[C@H](CC)N(CCC)CCN(C)C ZINC000052544134 169263352 /nfs/dbraw/zinc/26/33/52/169263352.db2.gz REUOIGPOLSAPIH-AWEZNQCLSA-N 1 3 243.439 2.038 10 0 BEAEHO CCC[NH2+][C@@H]1CCN(CC(C)C)[C@H](C)C1 ZINC000049709035 169281651 /nfs/dbraw/zinc/28/16/51/169281651.db2.gz ZVUSKHBWKOLQFT-CHWSQXEVSA-N 1 3 212.381 2.495 10 0 BEAEHO CCCO[C@H]1CCCN([C@@](C)(C[NH3+])C(C)C)C1 ZINC000042421221 169312950 /nfs/dbraw/zinc/31/29/50/169312950.db2.gz QPJPUMKOIJOMOD-KBPBESRZSA-N 1 3 242.407 2.251 10 0 BEAEHO CCC[C@@H]([NH3+])[C@H](CC)N(CCOC)CC(C)C ZINC000042368903 169393095 /nfs/dbraw/zinc/39/30/95/169393095.db2.gz FAGIMHAMVNFBOD-KGLIPLIRSA-N 1 3 244.423 2.497 10 0 BEAEHO CCCCN1CC[C@@H]([NH2+]C(C)C)[C@@H](C)C1 ZINC000226858530 134370210 /nfs/dbraw/zinc/37/02/10/134370210.db2.gz GZFFYQUFKQSBIG-QWHCGFSZSA-N 1 3 212.381 2.495 10 0 BEAEHO NC[C@H](Cc1ccc(F)cc1)[C@@H]1CCCC[NH2+]1 ZINC000068591151 384002948 /nfs/dbraw/zinc/00/29/48/384002948.db2.gz OCTFQZCEZPAXSY-JSGCOSHPSA-N 1 3 236.334 2.085 10 0 BEAEHO [NH3+]C[C@H](Cc1ccc(F)cc1)[C@@H]1CCCCN1 ZINC000068591151 384002953 /nfs/dbraw/zinc/00/29/53/384002953.db2.gz OCTFQZCEZPAXSY-JSGCOSHPSA-N 1 3 236.334 2.085 10 0 BEAEHO C[C@@H]([NH2+]C[C@H]1CC[C@@H](C)C1)[C@@H]1CCCNC1 ZINC000572593363 384479215 /nfs/dbraw/zinc/47/92/15/384479215.db2.gz NSVOIMKQFZLTOY-YIYPIFLZSA-N 1 3 224.392 2.400 10 0 BEAEHO Cc1ccc([C@@H](C)NCCC[NH3+])c(C)c1 ZINC000037713295 384509850 /nfs/dbraw/zinc/50/98/50/384509850.db2.gz GEEUGWAFXUYASQ-GFCCVEGCSA-N 1 3 206.333 2.303 10 0 BEAEHO CCc1ccc([C@H](C)NCCC[NH3+])cc1 ZINC000037713402 384513120 /nfs/dbraw/zinc/51/31/20/384513120.db2.gz SDOWTXNIRXJSOR-NSHDSACASA-N 1 3 206.333 2.248 10 0 BEAEHO [NH3+]C[C@H]1CCCN(CCc2ccc(F)cc2)C1 ZINC000011888433 384707402 /nfs/dbraw/zinc/70/74/02/384707402.db2.gz RDHICDHGPRESKH-CYBMUJFWSA-N 1 3 236.334 2.039 10 0 BEAEHO CC(C)(C[NH2+]C1CCNCC1)C1CCC1 ZINC000258862249 384949178 /nfs/dbraw/zinc/94/91/78/384949178.db2.gz FOYMQMIAXCAVEY-UHFFFAOYSA-N 1 3 210.365 2.154 10 0 BEAEHO CCC(CC)(CC)CNC[C@@H](C)[NH2+]C ZINC000391342850 385714122 /nfs/dbraw/zinc/71/41/22/385714122.db2.gz SGOSNXFRHYYCPU-LLVKDONJSA-N 1 3 200.370 2.400 10 0 BEAEHO [NH3+]C1CCC(NCc2ccc(Cl)cn2)CC1 ZINC000335041483 385933986 /nfs/dbraw/zinc/93/39/86/385933986.db2.gz IFWJHGGLAISVMH-UHFFFAOYSA-N 1 3 239.750 2.095 10 0 BEAEHO CN(C[C@]1(C)CC[NH2+]C1)C1CCCCC1 ZINC000062910890 386654254 /nfs/dbraw/zinc/65/42/54/386654254.db2.gz KTLZTOLBUYALRS-CYBMUJFWSA-N 1 3 210.365 2.251 10 0 BEAEHO C[C@@H]([NH2+]CCc1ccccc1)[C@H]1CCCNC1 ZINC000514660625 387050298 /nfs/dbraw/zinc/05/02/98/387050298.db2.gz YVYFAYPVOYARHI-HIFRSBDPSA-N 1 3 232.371 2.207 10 0 BEAEHO C[C@@H](NCCc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000514660625 387050301 /nfs/dbraw/zinc/05/03/01/387050301.db2.gz YVYFAYPVOYARHI-HIFRSBDPSA-N 1 3 232.371 2.207 10 0 BEAEHO FC1(F)CCC([NH2+][C@@H]2CCCNCC2)CC1 ZINC000335026517 387119452 /nfs/dbraw/zinc/11/94/52/387119452.db2.gz OXWMMBSWULLFKD-SNVBAGLBSA-N 1 3 232.318 2.296 10 0 BEAEHO N[C@@H](CCC[NH3+])c1cccc(Cl)c1F ZINC000575439849 387125522 /nfs/dbraw/zinc/12/55/22/387125522.db2.gz YTTFKXKWJULURW-VIFPVBQESA-N 1 3 216.687 2.218 10 0 BEAEHO N[C@@H](CCCC[NH3+])c1cc(F)cc(F)c1F ZINC000575440199 387127905 /nfs/dbraw/zinc/12/79/05/387127905.db2.gz NTANTNPWJGYNQJ-JTQLQIEISA-N 1 3 232.249 2.233 10 0 BEAEHO Cc1ccc([C@@H](N)CCC[NH3+])c(F)c1F ZINC000575438355 387129310 /nfs/dbraw/zinc/12/93/10/387129310.db2.gz IDAQSBNGEWQATN-VIFPVBQESA-N 1 3 214.259 2.012 10 0 BEAEHO CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]CC1CNC1 ZINC000423308063 387144154 /nfs/dbraw/zinc/14/41/54/387144154.db2.gz XGKTYCKNCIMQRM-STQMWFEESA-N 1 3 224.392 2.400 10 0 BEAEHO Cc1ccc(CCN[C@H](C)[C@@H]2CCC[NH2+]C2)o1 ZINC000572474135 387187785 /nfs/dbraw/zinc/18/77/85/387187785.db2.gz WCTWXYMJIZIYDT-CHWSQXEVSA-N 1 3 236.359 2.108 10 0 BEAEHO Cc1ccc(CC[NH2+][C@H](C)[C@@H]2CCCNC2)o1 ZINC000572474135 387187788 /nfs/dbraw/zinc/18/77/88/387187788.db2.gz WCTWXYMJIZIYDT-CHWSQXEVSA-N 1 3 236.359 2.108 10 0 BEAEHO Cc1ccc(CCN[C@@H](C)[C@H]2CCC[NH2+]C2)o1 ZINC000572474138 387189680 /nfs/dbraw/zinc/18/96/80/387189680.db2.gz WCTWXYMJIZIYDT-STQMWFEESA-N 1 3 236.359 2.108 10 0 BEAEHO Cc1ccc(CC[NH2+][C@@H](C)[C@H]2CCCNC2)o1 ZINC000572474138 387189689 /nfs/dbraw/zinc/18/96/89/387189689.db2.gz WCTWXYMJIZIYDT-STQMWFEESA-N 1 3 236.359 2.108 10 0 BEAEHO C[C@@H]1[NH2+]CCC[C@H]1N[C@H]1CCC12CCCC2 ZINC000423371591 387227451 /nfs/dbraw/zinc/22/74/51/387227451.db2.gz HPRSOVNVWSVBKG-XQQFMLRXSA-N 1 3 222.376 2.439 10 0 BEAEHO C[C@H]([NH2+]CC1(C2CC2)CC1)[C@H]1CCCNC1 ZINC000514825106 387290749 /nfs/dbraw/zinc/29/07/49/387290749.db2.gz QEYOBSCCCMIUKY-RYUDHWBXSA-N 1 3 222.376 2.154 10 0 BEAEHO C[C@@H]([NH2+]C[C@@H](C)C1CC1)[C@H]1CCCNC1 ZINC000643468323 387419319 /nfs/dbraw/zinc/41/93/19/387419319.db2.gz QBALEEIXAUISHF-WZRBSPASSA-N 1 3 210.365 2.010 10 0 BEAEHO C[C@@H](NCCC[NH3+])c1cccc(OC(F)F)c1 ZINC000037713475 387564928 /nfs/dbraw/zinc/56/49/28/387564928.db2.gz VSDPLROUQLTAIB-SECBINFHSA-N 1 3 244.285 2.287 10 0 BEAEHO C[C@@H](CN[C@H]1CCC[NH2+]CC1)Oc1ccccc1 ZINC000422978073 387788990 /nfs/dbraw/zinc/78/89/90/387788990.db2.gz GTUZOBMPPPXSQV-KBPBESRZSA-N 1 3 248.370 2.186 10 0 BEAEHO FC1(CC[NH2+][C@H]2CCCNCC2)CCC1 ZINC000423125709 387905334 /nfs/dbraw/zinc/90/53/34/387905334.db2.gz OBEVSTZFXMVCAL-NSHDSACASA-N 1 3 214.328 2.000 10 0 BEAEHO FC1(CCN[C@H]2CCC[NH2+]CC2)CCC1 ZINC000423125709 387905341 /nfs/dbraw/zinc/90/53/41/387905341.db2.gz OBEVSTZFXMVCAL-NSHDSACASA-N 1 3 214.328 2.000 10 0 BEAEHO C[C@@H](NCCCOc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000400455836 387955512 /nfs/dbraw/zinc/95/55/12/387955512.db2.gz PXOSVAOOPGUQJY-KGLIPLIRSA-N 1 3 248.370 2.043 10 0 BEAEHO CN(Cc1ccccc1)[C@H]1CCC[C@H]([NH3+])C1 ZINC000071521078 388097235 /nfs/dbraw/zinc/09/72/35/388097235.db2.gz RGEJNWVOHDUDKB-KBPBESRZSA-N 1 3 218.344 2.388 10 0 BEAEHO Cc1ccsc1CN[C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400327498 388116119 /nfs/dbraw/zinc/11/61/19/388116119.db2.gz BVNSXMXETVDCOM-QWRGUYRKSA-N 1 3 224.373 2.144 10 0 BEAEHO CC(C)(C[NH2+]C1CCNCC1)C1=CCCC1 ZINC000308758505 388449081 /nfs/dbraw/zinc/44/90/81/388449081.db2.gz RZMPRPXNEBSWJN-UHFFFAOYSA-N 1 3 222.376 2.465 10 0 BEAEHO C1CC1[N@@H+]1CCC[C@H]2CN(C3CCC3)CC[C@@H]21 ZINC000245595642 388424873 /nfs/dbraw/zinc/42/48/73/388424873.db2.gz IJMIXASKKHRQSM-WFASDCNBSA-N 1 3 234.387 2.488 10 0 BEAEHO C1CC1[N@H+]1CCC[C@H]2CN(C3CCC3)CC[C@@H]21 ZINC000245595642 388424874 /nfs/dbraw/zinc/42/48/74/388424874.db2.gz IJMIXASKKHRQSM-WFASDCNBSA-N 1 3 234.387 2.488 10 0 BEAEHO CC(C)C1(C[NH2+][C@H](C)[C@@H]2CCCNC2)CC1 ZINC000517229942 256819217 /nfs/dbraw/zinc/81/92/17/256819217.db2.gz MWSLNMXKRAGYSQ-CHWSQXEVSA-N 1 3 224.392 2.400 10 0 BEAEHO CN(C)Cc1ccc(-c2cccc(C[NH3+])c2)o1 ZINC000082297169 388586637 /nfs/dbraw/zinc/58/66/37/388586637.db2.gz NQNCUQJEJLEDII-UHFFFAOYSA-N 1 3 230.311 2.467 10 0 BEAEHO CC(C)C(C[NH2+]C1CCNCC1)C(C)C ZINC000229524834 388794158 /nfs/dbraw/zinc/79/41/58/388794158.db2.gz BXBQWFBEBWCYOE-UHFFFAOYSA-N 1 3 212.381 2.256 10 0 BEAEHO C[C@H]([NH2+]C[C@@H]1C[C@H]1C1CC1)[C@@H]1CCCNC1 ZINC000564823409 388891810 /nfs/dbraw/zinc/89/18/10/388891810.db2.gz UJSXMTFHOQZBCL-GHYVTOPFSA-N 1 3 222.376 2.010 10 0 BEAEHO C[C@@H](N[C@@H](C)c1ccccc1)[C@H]1CC[NH2+]C1 ZINC000400335425 533505439 /nfs/dbraw/zinc/50/54/39/533505439.db2.gz FFONLLMNIKRLNV-SCRDCRAPSA-N 1 3 218.344 2.335 10 0 BEAEHO C[C@H]([NH2+][C@@H]1CC[C@@H](N(C)C)C1)C1(C)CC1 ZINC000222735936 134334165 /nfs/dbraw/zinc/33/41/65/134334165.db2.gz IHZQTFVSGPGEBV-QJPTWQEYSA-N 1 3 210.365 2.247 10 0 BEAEHO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[C@@H](N(C)C)C1 ZINC000222738337 134334233 /nfs/dbraw/zinc/33/42/33/134334233.db2.gz ABRHDYYCKVYWIL-WUHRBBMRSA-N 1 3 212.381 2.493 10 0 BEAEHO C[C@@H]1CN(C[C@H]2CCCC(F)(F)C2)CC[C@@H]1[NH3+] ZINC000261538124 135175420 /nfs/dbraw/zinc/17/54/20/135175420.db2.gz DVEGQXYBGFGWDQ-WOPDTQHZSA-N 1 3 246.345 2.481 10 0 BEAEHO C[C@@H]1CN(C[C@@H]2CCCC(F)(F)C2)CC[C@H]1[NH3+] ZINC000261538122 135175468 /nfs/dbraw/zinc/17/54/68/135175468.db2.gz DVEGQXYBGFGWDQ-IJLUTSLNSA-N 1 3 246.345 2.481 10 0 BEAEHO CCC(CC)(CC)C[N@@H+]1CC[C@H](CN)C1 ZINC000261575480 135216734 /nfs/dbraw/zinc/21/67/34/135216734.db2.gz JUEUJWBRPMLVNJ-GFCCVEGCSA-N 1 3 212.381 2.483 10 0 BEAEHO CCC(CC)(CC)C[N@H+]1CC[C@H](CN)C1 ZINC000261575480 135216735 /nfs/dbraw/zinc/21/67/35/135216735.db2.gz JUEUJWBRPMLVNJ-GFCCVEGCSA-N 1 3 212.381 2.483 10 0 BEAEHO C([C@@H]1CCCNC1)[N@@H+]1CCCC2(CCC2)C1 ZINC000261802036 135254647 /nfs/dbraw/zinc/25/46/47/135254647.db2.gz HAAKFTDDPZCJFG-CYBMUJFWSA-N 1 3 222.376 2.252 10 0 BEAEHO C([C@@H]1CCCNC1)[N@H+]1CCCC2(CCC2)C1 ZINC000261802036 135254648 /nfs/dbraw/zinc/25/46/48/135254648.db2.gz HAAKFTDDPZCJFG-CYBMUJFWSA-N 1 3 222.376 2.252 10 0 BEAEHO Cc1ccc(C)c(CNCC[C@H](C)[NH3+])c1 ZINC000258702238 322875358 /nfs/dbraw/zinc/87/53/58/322875358.db2.gz GWRJIYKQJLOPRC-LBPRGKRZSA-N 1 3 206.333 2.130 10 0 BEAEHO C([NH2+][C@@H]1CCCNCC1)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000665263935 410737329 /nfs/dbraw/zinc/73/73/29/410737329.db2.gz YIWYEXLKLWTSKD-RQJABVFESA-N 1 3 222.376 2.154 10 0 BEAEHO CC(C)[NH2+]CCCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000052380737 167102374 /nfs/dbraw/zinc/10/23/74/167102374.db2.gz XICPORMWPNJHJG-KBPBESRZSA-N 1 3 242.407 2.264 10 0 BEAEHO CC(C)[NH2+]C[C@@H]1CCN(C2CCCC2)C1 ZINC000053012539 167113681 /nfs/dbraw/zinc/11/36/81/167113681.db2.gz WGJRLQSDNXREOY-LBPRGKRZSA-N 1 3 210.365 2.249 10 0 BEAEHO CC(C)[NH2+]C[C@@H]1CCCN1c1ccncc1 ZINC000053694074 167114233 /nfs/dbraw/zinc/11/42/33/167114233.db2.gz FDOSSVJMJDOCIN-ZDUSSCGKSA-N 1 3 219.332 2.048 10 0 BEAEHO CC(C)NC[C@H]1CC[N@@H+](C(C2CC2)C2CC2)C1 ZINC000053031985 167114883 /nfs/dbraw/zinc/11/48/83/167114883.db2.gz CQQSVFBNSHXSDR-GFCCVEGCSA-N 1 3 236.403 2.495 10 0 BEAEHO CC(C)NC[C@H]1CC[N@H+](C(C2CC2)C2CC2)C1 ZINC000053031985 167114886 /nfs/dbraw/zinc/11/48/86/167114886.db2.gz CQQSVFBNSHXSDR-GFCCVEGCSA-N 1 3 236.403 2.495 10 0 BEAEHO c1ccc2c(c1)C[C@H]2C[NH2+][C@H]1CCCNCC1 ZINC000129115492 411230172 /nfs/dbraw/zinc/23/01/72/411230172.db2.gz NEOXQYHWGPUPDI-KBPBESRZSA-N 1 3 230.355 2.058 10 0 BEAEHO c1ccc2c(c1)C[C@H]2CN[C@H]1CCC[NH2+]CC1 ZINC000129115492 411230175 /nfs/dbraw/zinc/23/01/75/411230175.db2.gz NEOXQYHWGPUPDI-KBPBESRZSA-N 1 3 230.355 2.058 10 0 BEAEHO [NH3+]CC1(CCNc2ccnc3ccccc32)CC1 ZINC000395888482 411256089 /nfs/dbraw/zinc/25/60/89/411256089.db2.gz QJZBEFJJICACRP-UHFFFAOYSA-N 1 3 241.338 2.198 10 0 BEAEHO C[C@H](CN[C@@H](C)[C@H]1CCC[NH2+]C1)c1ccccn1 ZINC000656783029 411360373 /nfs/dbraw/zinc/36/03/73/411360373.db2.gz MCDMYQKOMQHFDT-RDBSUJKOSA-N 1 3 247.386 2.163 10 0 BEAEHO C[C@H](C[NH2+][C@@H](C)[C@H]1CCCNC1)c1ccccn1 ZINC000656783029 411360375 /nfs/dbraw/zinc/36/03/75/411360375.db2.gz MCDMYQKOMQHFDT-RDBSUJKOSA-N 1 3 247.386 2.163 10 0 BEAEHO CC1CC(N[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000123345411 168147366 /nfs/dbraw/zinc/14/73/66/168147366.db2.gz AFBDGDOCMSEXJD-MYXTYHMWSA-N 1 3 222.376 2.295 10 0 BEAEHO CC[NH2+]C[C@](C)(CC)CN(C)C1CCOCC1 ZINC000051218323 170123367 /nfs/dbraw/zinc/12/33/67/170123367.db2.gz CEDRBKAEWKCVJX-AWEZNQCLSA-N 1 3 242.407 2.123 10 0 BEAEHO CCNC[C@](C)(CC)C[N@H+](C)C1CCOCC1 ZINC000051218323 170123368 /nfs/dbraw/zinc/12/33/68/170123368.db2.gz CEDRBKAEWKCVJX-AWEZNQCLSA-N 1 3 242.407 2.123 10 0 BEAEHO CCNC[C@](C)(CC)C[N@@H+](C)C1CCOCC1 ZINC000051218323 170123370 /nfs/dbraw/zinc/12/33/70/170123370.db2.gz CEDRBKAEWKCVJX-AWEZNQCLSA-N 1 3 242.407 2.123 10 0 BEAEHO CC[NH2+][C@@H]1CCN(CC2CCCC2)C[C@@H]1C ZINC000049710668 170151211 /nfs/dbraw/zinc/15/12/11/170151211.db2.gz GEOYLNODKLZZGP-GXTWGEPZSA-N 1 3 224.392 2.497 10 0 BEAEHO CC[NH2+][C@@H]1CCc2c1cccc2OCCN(C)C ZINC000062799768 170153792 /nfs/dbraw/zinc/15/37/92/170153792.db2.gz SZXVMIBAJCAIOF-CQSZACIVSA-N 1 3 248.370 2.224 10 0 BEAEHO CC[NH2+][C@H](C)C1CCN(Cc2ccncc2)CC1 ZINC000104421715 170157026 /nfs/dbraw/zinc/15/70/26/170157026.db2.gz DZHVUNIPPAZMMT-CYBMUJFWSA-N 1 3 247.386 2.292 10 0 BEAEHO CC[NH2+][C@H]1CCC[C@H]1CN1CCCCC1 ZINC000053862425 170166894 /nfs/dbraw/zinc/16/68/94/170166894.db2.gz OSKPUASRNJYNGX-STQMWFEESA-N 1 3 210.365 2.251 10 0 BEAEHO CCOCCCN1CC[C@H](C)[NH2+][C@@H](CC)CC1 ZINC000049665159 170374611 /nfs/dbraw/zinc/37/46/11/170374611.db2.gz PKRLXDJHKBOGDA-KBPBESRZSA-N 1 3 242.407 2.266 10 0 BEAEHO C[N@H+](C[C@@H]1C[C@H]2C[C@H]2C1)[C@H]1CCCNCC1 ZINC000662267218 412058672 /nfs/dbraw/zinc/05/86/72/412058672.db2.gz RHHMSGADCUFWHH-CRWXNKLISA-N 1 3 222.376 2.106 10 0 BEAEHO C[N@@H+](C[C@@H]1C[C@H]2C[C@H]2C1)[C@H]1CCCNCC1 ZINC000662267218 412058676 /nfs/dbraw/zinc/05/86/76/412058676.db2.gz RHHMSGADCUFWHH-CRWXNKLISA-N 1 3 222.376 2.106 10 0 BEAEHO CC[C@@H]1CC[C@H](CN)[C@H]([N@H+](C)[C@@H](C)COC)C1 ZINC000042517526 171056925 /nfs/dbraw/zinc/05/69/25/171056925.db2.gz FBCIBSSHFAGLDA-REWJHTLYSA-N 1 3 242.407 2.107 10 0 BEAEHO CC[C@@H]1CC[C@H](CN)[C@H]([N@@H+](C)[C@@H](C)COC)C1 ZINC000042517526 171056926 /nfs/dbraw/zinc/05/69/26/171056926.db2.gz FBCIBSSHFAGLDA-REWJHTLYSA-N 1 3 242.407 2.107 10 0 BEAEHO CC[C@@H]1CO[C@H](C)CN1[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000036128001 171114252 /nfs/dbraw/zinc/11/42/52/171114252.db2.gz FEAZIDNFVDVTPC-AAVRWANBSA-N 1 3 240.391 2.003 10 0 BEAEHO CC[C@H](C)[N@H+](CCOC)[C@@H](C)CCNC1CC1 ZINC000052547478 171315210 /nfs/dbraw/zinc/31/52/10/171315210.db2.gz JZSBCGNXZQNZOS-STQMWFEESA-N 1 3 242.407 2.264 10 0 BEAEHO CC[C@H](C)[N@@H+](CCOC)[C@@H](C)CCNC1CC1 ZINC000052547478 171315212 /nfs/dbraw/zinc/31/52/12/171315212.db2.gz JZSBCGNXZQNZOS-STQMWFEESA-N 1 3 242.407 2.264 10 0 BEAEHO CC[C@H](C)N(CCOC)[C@@H](C)CC[NH2+]C1CC1 ZINC000052547478 171315214 /nfs/dbraw/zinc/31/52/14/171315214.db2.gz JZSBCGNXZQNZOS-STQMWFEESA-N 1 3 242.407 2.264 10 0 BEAEHO CC[C@H](C)CC[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000665238112 412179193 /nfs/dbraw/zinc/17/91/93/412179193.db2.gz QXNHFVDSIFILJJ-RWMBFGLXSA-N 1 3 212.381 2.400 10 0 BEAEHO CC(C)[C@H]([NH3+])CCNc1ccnc2ccccc21 ZINC000663275976 412405666 /nfs/dbraw/zinc/40/56/66/412405666.db2.gz IBHAXQKTXDTKOP-CYBMUJFWSA-N 1 3 243.354 2.442 10 0 BEAEHO CCn1cccc1C[NH2+]C1CCN(C(C)C)CC1 ZINC000091023112 172207610 /nfs/dbraw/zinc/20/76/10/172207610.db2.gz MJFKPUMVEAOFAD-UHFFFAOYSA-N 1 3 249.402 2.470 10 0 BEAEHO CCn1ccnc1NCCCC[N@H+](C)C(C)C ZINC000050614307 172227130 /nfs/dbraw/zinc/22/71/30/172227130.db2.gz NEHYQNNMGXPTCH-UHFFFAOYSA-N 1 3 238.379 2.435 10 0 BEAEHO CCn1ccnc1NCCCC[N@@H+](C)C(C)C ZINC000050614307 172227132 /nfs/dbraw/zinc/22/71/32/172227132.db2.gz NEHYQNNMGXPTCH-UHFFFAOYSA-N 1 3 238.379 2.435 10 0 BEAEHO CN1CCCC[C@H]1COc1ccccc1C[NH3+] ZINC000020352414 173010008 /nfs/dbraw/zinc/01/00/08/173010008.db2.gz RSKIKWUPLONSHA-ZDUSSCGKSA-N 1 3 234.343 2.008 10 0 BEAEHO C[N@@H+]1CCCC[C@H]1COc1ccccc1CN ZINC000020352414 173010009 /nfs/dbraw/zinc/01/00/09/173010009.db2.gz RSKIKWUPLONSHA-ZDUSSCGKSA-N 1 3 234.343 2.008 10 0 BEAEHO C[N@H+]1CCCC[C@H]1COc1ccccc1CN ZINC000020352414 173010011 /nfs/dbraw/zinc/01/00/11/173010011.db2.gz RSKIKWUPLONSHA-ZDUSSCGKSA-N 1 3 234.343 2.008 10 0 BEAEHO CN1CC[C@@H](C[NH2+]Cc2ccc(F)c(F)c2)C1 ZINC000037645877 173115137 /nfs/dbraw/zinc/11/51/37/173115137.db2.gz IEDLBGXIBBUQCM-NSHDSACASA-N 1 3 240.297 2.006 10 0 BEAEHO CN(C)[C@H]1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000216040048 173148284 /nfs/dbraw/zinc/14/82/84/173148284.db2.gz DUXQDTZEIPNHRZ-KGLIPLIRSA-N 1 3 218.344 2.036 10 0 BEAEHO CN(C)[C@H]1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000216040048 173148286 /nfs/dbraw/zinc/14/82/86/173148286.db2.gz DUXQDTZEIPNHRZ-KGLIPLIRSA-N 1 3 218.344 2.036 10 0 BEAEHO CN1[C@@H]2CC[C@H]1CC([NH2+]CCC(F)(F)F)C2 ZINC000063099146 173207522 /nfs/dbraw/zinc/20/75/22/173207522.db2.gz LRSBOXJDDFOICL-PBINXNQUSA-N 1 3 236.281 2.154 10 0 BEAEHO C[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC000037259771 173322579 /nfs/dbraw/zinc/32/25/79/173322579.db2.gz DZDHZPIYKAQXAN-UHFFFAOYSA-N 1 3 210.365 2.251 10 0 BEAEHO CNC1CC[NH+](CC2CCCCC2)CC1 ZINC000037259771 173322581 /nfs/dbraw/zinc/32/25/81/173322581.db2.gz DZDHZPIYKAQXAN-UHFFFAOYSA-N 1 3 210.365 2.251 10 0 BEAEHO CNC[C@@H]1CC[N@@H+](C2CCC(C)CC2)C1 ZINC000053012854 173370163 /nfs/dbraw/zinc/37/01/63/173370163.db2.gz KBVVCOSVNXEQFB-CPCZMJQVSA-N 1 3 210.365 2.106 10 0 BEAEHO CNC[C@@H]1CC[N@H+](C2CCC(C)CC2)C1 ZINC000053012854 173370165 /nfs/dbraw/zinc/37/01/65/173370165.db2.gz KBVVCOSVNXEQFB-CPCZMJQVSA-N 1 3 210.365 2.106 10 0 BEAEHO CNC[C@H]1CC[N@@H+](C2(C)CCCCC2)C1 ZINC000053034212 173380793 /nfs/dbraw/zinc/38/07/93/173380793.db2.gz PTBLZHSMLIYUIK-GFCCVEGCSA-N 1 3 210.365 2.251 10 0 BEAEHO CNC[C@H]1CC[N@H+](C2(C)CCCCC2)C1 ZINC000053034212 173380795 /nfs/dbraw/zinc/38/07/95/173380795.db2.gz PTBLZHSMLIYUIK-GFCCVEGCSA-N 1 3 210.365 2.251 10 0 BEAEHO CNCc1ccccc1OCC[N@@H+]1CC[C@@H](C)C1 ZINC000052484458 173390232 /nfs/dbraw/zinc/39/02/32/173390232.db2.gz AVQGNRXDPFEQLB-CYBMUJFWSA-N 1 3 248.370 2.127 10 0 BEAEHO CNCc1ccccc1OCC[N@H+]1CC[C@@H](C)C1 ZINC000052484458 173390233 /nfs/dbraw/zinc/39/02/33/173390233.db2.gz AVQGNRXDPFEQLB-CYBMUJFWSA-N 1 3 248.370 2.127 10 0 BEAEHO CNCc1ccoc1C[NH+]1CCCCCC1 ZINC000052381841 173391212 /nfs/dbraw/zinc/39/12/12/173391212.db2.gz AFGMRLIGWGUTCB-UHFFFAOYSA-N 1 3 222.332 2.375 10 0 BEAEHO COCC[N@H+](C1CC1)[C@H]1CCCCC[C@@H]1CN ZINC000042517605 174284600 /nfs/dbraw/zinc/28/46/00/174284600.db2.gz FPNIPWUXCYLYBP-OCCSQVGLSA-N 1 3 240.391 2.005 10 0 BEAEHO COCC[N@@H+](C1CC1)[C@H]1CCCCC[C@@H]1CN ZINC000042517605 174284601 /nfs/dbraw/zinc/28/46/01/174284601.db2.gz FPNIPWUXCYLYBP-OCCSQVGLSA-N 1 3 240.391 2.005 10 0 BEAEHO COc1ccc([C@@H](C)[NH3+])cc1CN1CCCC1 ZINC000037396343 175176345 /nfs/dbraw/zinc/17/63/45/175176345.db2.gz RVJGLMIXTSKISA-LLVKDONJSA-N 1 3 234.343 2.311 10 0 BEAEHO COc1ccc([C@H](N)CC[NH+]2CCCC2)cc1 ZINC000020274049 175191924 /nfs/dbraw/zinc/19/19/24/175191924.db2.gz OOORKEVKYJEFLS-CQSZACIVSA-N 1 3 234.343 2.181 10 0 BEAEHO COc1ccc([C@H]([NH3+])CCN2CCCC2)cc1 ZINC000020274049 175191926 /nfs/dbraw/zinc/19/19/26/175191926.db2.gz OOORKEVKYJEFLS-CQSZACIVSA-N 1 3 234.343 2.181 10 0 BEAEHO C[C@H](C[NH3+])CN(C)[C@@H](C)c1ccccc1 ZINC000049813580 176020323 /nfs/dbraw/zinc/02/03/23/176020323.db2.gz XOJDJEACUUZLTI-NEPJUHHUSA-N 1 3 206.333 2.274 10 0 BEAEHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCC[C@@H]1N ZINC000058058448 176072909 /nfs/dbraw/zinc/07/29/09/176072909.db2.gz HVQXIJXDQHORAG-AGIUHOORSA-N 1 3 210.365 2.378 10 0 BEAEHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCC[C@@H]1N ZINC000058058448 176072911 /nfs/dbraw/zinc/07/29/11/176072911.db2.gz HVQXIJXDQHORAG-AGIUHOORSA-N 1 3 210.365 2.378 10 0 BEAEHO C[C@@H]1CC[NH+](CC(C)(C)C)CC[C@@H](C)N1 ZINC000049667088 176168498 /nfs/dbraw/zinc/16/84/98/176168498.db2.gz DKQMUVPNAURAKK-VXGBXAGGSA-N 1 3 212.381 2.495 10 0 BEAEHO C[C@@H]1CC[C@@H](C[NH3+])CN1Cc1cccs1 ZINC000042427267 176202702 /nfs/dbraw/zinc/20/27/02/176202702.db2.gz UULKCNKNLCNSLY-MNOVXSKESA-N 1 3 224.373 2.307 10 0 BEAEHO CC(C)[C@H](C)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037915911 487635048 /nfs/dbraw/zinc/63/50/48/487635048.db2.gz RVKBRXDCICPMFX-IHRRRGAJSA-N 1 3 224.392 2.495 10 0 BEAEHO C[C@H](c1ccsc1)N1CC[C@H](C[NH3+])C1 ZINC000050345222 177051324 /nfs/dbraw/zinc/05/13/24/177051324.db2.gz RLIPSNRALZYCOO-NXEZZACHSA-N 1 3 210.346 2.090 10 0 BEAEHO C[C@H]1CCCC[N@@H+]1Cc1occc1CN ZINC000052378735 177079189 /nfs/dbraw/zinc/07/91/89/177079189.db2.gz MFIZNEJPRAFIIP-JTQLQIEISA-N 1 3 208.305 2.113 10 0 BEAEHO C[C@H]1CCCC[N@H+]1Cc1occc1CN ZINC000052378735 177079190 /nfs/dbraw/zinc/07/91/90/177079190.db2.gz MFIZNEJPRAFIIP-JTQLQIEISA-N 1 3 208.305 2.113 10 0 BEAEHO C[C@H]1CCCC[C@H]1[NH+]1CCCNCCC1 ZINC000049665320 177087174 /nfs/dbraw/zinc/08/71/74/177087174.db2.gz WDNUUNHKJGCJIW-QWHCGFSZSA-N 1 3 210.365 2.251 10 0 BEAEHO C[C@H]1CCC[N@@H+]1CCCOc1ccccc1CN ZINC000037910096 177109465 /nfs/dbraw/zinc/10/94/65/177109465.db2.gz HZMOAFRVKPFHNB-ZDUSSCGKSA-N 1 3 248.370 2.399 10 0 BEAEHO C[C@H]1CCC[N@H+]1CCCOc1ccccc1CN ZINC000037910096 177109468 /nfs/dbraw/zinc/10/94/68/177109468.db2.gz HZMOAFRVKPFHNB-ZDUSSCGKSA-N 1 3 248.370 2.399 10 0 BEAEHO C[C@@H]1[C@@H](C)CCC[C@@H]1[NH+]1CCC(N)CC1 ZINC000019479431 177135081 /nfs/dbraw/zinc/13/50/81/177135081.db2.gz RWWYMGPURNNWNQ-LOWVWBTDSA-N 1 3 210.365 2.234 10 0 BEAEHO C[C@@H]1[C@@H](C)CCC[C@@H]1[NH2+]C1CCNCC1 ZINC000038040602 177136373 /nfs/dbraw/zinc/13/63/73/177136373.db2.gz GLILUBLVMICMFH-LOWVWBTDSA-N 1 3 210.365 2.153 10 0 BEAEHO C[C@@H]1CN[C@@H](C)CC[N@H+](CC(C)(C)C)C1 ZINC000049667090 177158326 /nfs/dbraw/zinc/15/83/26/177158326.db2.gz NZXWMZDWJBAESX-NEPJUHHUSA-N 1 3 212.381 2.352 10 0 BEAEHO C[C@@H]1CN[C@@H](C)CC[N@@H+](CC(C)(C)C)C1 ZINC000049667090 177158328 /nfs/dbraw/zinc/15/83/28/177158328.db2.gz NZXWMZDWJBAESX-NEPJUHHUSA-N 1 3 212.381 2.352 10 0 BEAEHO C[C@H]1CC[N@@H+]([C@@H](CCN)c2ccccc2)C1 ZINC000055016302 177170325 /nfs/dbraw/zinc/17/03/25/177170325.db2.gz LLFVZNSTAWNKAJ-JSGCOSHPSA-N 1 3 218.344 2.418 10 0 BEAEHO C[C@H]1CC[N@H+]([C@@H](CCN)c2ccccc2)C1 ZINC000055016302 177170326 /nfs/dbraw/zinc/17/03/26/177170326.db2.gz LLFVZNSTAWNKAJ-JSGCOSHPSA-N 1 3 218.344 2.418 10 0 BEAEHO C[C@H]1[C@@H](C)N(Cc2ccccc2)C[C@H](C)[C@H]1[NH3+] ZINC000068592771 177266102 /nfs/dbraw/zinc/26/61/02/177266102.db2.gz CNGGMQNYSIBNDV-RMRHIDDWSA-N 1 3 232.371 2.490 10 0 BEAEHO C[C@@H]1C[N@H+]([C@@]2(CN)CCCC[C@H]2C)C[C@H](C)O1 ZINC000034754806 177275298 /nfs/dbraw/zinc/27/52/98/177275298.db2.gz YYTZQACFASOKKM-YIYPIFLZSA-N 1 3 240.391 2.003 10 0 BEAEHO C[C@@H]1C[N@@H+]([C@@]2(CN)CCCC[C@H]2C)C[C@H](C)O1 ZINC000034754806 177275299 /nfs/dbraw/zinc/27/52/99/177275299.db2.gz YYTZQACFASOKKM-YIYPIFLZSA-N 1 3 240.391 2.003 10 0 BEAEHO C[C@H]1CNCCC[N@H+](CC2CCCCC2)C1 ZINC000049666080 177282141 /nfs/dbraw/zinc/28/21/41/177282141.db2.gz JNVXPXAIOFEGHG-ZDUSSCGKSA-N 1 3 224.392 2.498 10 0 BEAEHO C[C@H]1CNCCC[N@@H+](CC2CCCCC2)C1 ZINC000049666080 177282143 /nfs/dbraw/zinc/28/21/43/177282143.db2.gz JNVXPXAIOFEGHG-ZDUSSCGKSA-N 1 3 224.392 2.498 10 0 BEAEHO C[C@@H]1CNC[C@H](C)C[N@@H+](CC2CCCC2)C1 ZINC000049666022 177286170 /nfs/dbraw/zinc/28/61/70/177286170.db2.gz TVCKCAZMFGQXIQ-BETUJISGSA-N 1 3 224.392 2.354 10 0 BEAEHO C[C@@H]1CNC[C@H](C)C[N@H+](CC2CCCC2)C1 ZINC000049666022 177286172 /nfs/dbraw/zinc/28/61/72/177286172.db2.gz TVCKCAZMFGQXIQ-BETUJISGSA-N 1 3 224.392 2.354 10 0 BEAEHO C[C@H]1C[C@H](C)CN(CC[C@@H]2CCC[NH2+]2)C1 ZINC000042171882 177358726 /nfs/dbraw/zinc/35/87/26/177358726.db2.gz VGNQZVZHQGPECK-AVGNSLFASA-N 1 3 210.365 2.106 10 0 BEAEHO C[C@H]1C[C@H](C)C[NH+](Cc2cc(CN)co2)C1 ZINC000052420758 177358870 /nfs/dbraw/zinc/35/88/70/177358870.db2.gz SXKUSLNGRVOAEM-QWRGUYRKSA-N 1 3 222.332 2.216 10 0 BEAEHO Cc1ccsc1CN[C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400327494 226340901 /nfs/dbraw/zinc/34/09/01/226340901.db2.gz BVNSXMXETVDCOM-GHMZBOCLSA-N 1 3 224.373 2.144 10 0 BEAEHO C[C@H](Cc1ccsc1)[NH2+][C@H]1CCC[C@H]1CN ZINC000251697914 487791791 /nfs/dbraw/zinc/79/17/91/487791791.db2.gz MUNGLKRJUGMNFX-WXHSDQCUSA-N 1 3 238.400 2.396 10 0 BEAEHO C([NH2+][C@@H]1CCCNCC1)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403330492 322948954 /nfs/dbraw/zinc/94/89/54/322948954.db2.gz FWSAPFANQSUBSF-YIYPIFLZSA-N 1 3 222.376 2.154 10 0 BEAEHO C[C@H]([NH2+]CC(C1CC1)C1CC1)[C@H]1CCCNC1 ZINC000562958813 323035235 /nfs/dbraw/zinc/03/52/35/323035235.db2.gz SQLKKHRGAVMYQI-FZMZJTMJSA-N 1 3 236.403 2.400 10 0 BEAEHO C[C@@H]([NH2+]CC(C1CC1)C1CC1)[C@H]1CCCNC1 ZINC000562958814 323035251 /nfs/dbraw/zinc/03/52/51/323035251.db2.gz SQLKKHRGAVMYQI-RISCZKNCSA-N 1 3 236.403 2.400 10 0 BEAEHO C[C@H]([NH2+]CC(C1CC1)C1CC1)[C@@H]1CCCNC1 ZINC000562958815 323035257 /nfs/dbraw/zinc/03/52/57/323035257.db2.gz SQLKKHRGAVMYQI-SMDDNHRTSA-N 1 3 236.403 2.400 10 0 BEAEHO CSCCCCC[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000570441972 323059458 /nfs/dbraw/zinc/05/94/58/323059458.db2.gz IISIJEAWNHEBBA-OLZOCXBDSA-N 1 3 244.448 2.497 10 0 BEAEHO CCC1(C[NH2+][C@H](C)[C@H]2CCCNC2)CC1 ZINC000572111824 323540206 /nfs/dbraw/zinc/54/02/06/323540206.db2.gz XGCCJOKHMJYTTB-NEPJUHHUSA-N 1 3 210.365 2.154 10 0 BEAEHO C[C@H]([NH2+]C[C@@H]1CCCSC1)[C@@H]1CCCNC1 ZINC000566672542 326072612 /nfs/dbraw/zinc/07/26/12/326072612.db2.gz CXQCNJIMHAXBAS-RWMBFGLXSA-N 1 3 242.432 2.107 10 0 BEAEHO CC(C)[C@H](C)N1CCC([NH2+]CC2CC2)CC1 ZINC000168533085 487516163 /nfs/dbraw/zinc/51/61/63/487516163.db2.gz JOBZIPIAQZTREO-LBPRGKRZSA-N 1 3 224.392 2.495 10 0 BEAEHO C[NH+](C)CCCNCc1cccc2cnccc21 ZINC000061124899 487606523 /nfs/dbraw/zinc/60/65/23/487606523.db2.gz MYIUPGSVCBMNBA-UHFFFAOYSA-N 1 3 243.354 2.276 10 0 BEAEHO C[C@H]([NH3+])CCNCC(C)(C)c1ccccc1 ZINC000258840835 488138163 /nfs/dbraw/zinc/13/81/63/488138163.db2.gz WCYRLPRCKNYLLK-LBPRGKRZSA-N 1 3 220.360 2.291 10 0 BEAEHO C[C@H](N)CC[NH2+]CC(C)(C)c1ccccc1 ZINC000258840835 488138167 /nfs/dbraw/zinc/13/81/67/488138167.db2.gz WCYRLPRCKNYLLK-LBPRGKRZSA-N 1 3 220.360 2.291 10 0 BEAEHO COc1ccc2c(c1)CCC[C@H]2N(C)CCC[NH3+] ZINC000133721372 491159910 /nfs/dbraw/zinc/15/99/10/491159910.db2.gz BAKXQFROMHRWBK-OAHLLOKOSA-N 1 3 248.370 2.353 10 0 BEAEHO C[C@@H]1NCCC[C@]12CCC[N@@H+]2CC1CC1 ZINC000757126552 582501727 /nfs/dbraw/zinc/50/17/27/582501727.db2.gz GCQOXTAZGKOREY-AAEUAGOBSA-N 1 3 208.349 2.003 10 0 BEAEHO C[C@@H]1NCCC[C@]12CCC[N@H+]2CC1CC1 ZINC000757126552 582501728 /nfs/dbraw/zinc/50/17/28/582501728.db2.gz GCQOXTAZGKOREY-AAEUAGOBSA-N 1 3 208.349 2.003 10 0 BEAEHO C[C@@H]1[NH2+]CCC[C@]12CCCN2CC1CC1 ZINC000757126552 582501729 /nfs/dbraw/zinc/50/17/29/582501729.db2.gz GCQOXTAZGKOREY-AAEUAGOBSA-N 1 3 208.349 2.003 10 0 BEAEHO C[C@H](NC[C@@H]1CCCC1(F)F)[C@@H]1CC[NH2+]C1 ZINC000400509558 533880692 /nfs/dbraw/zinc/88/06/92/533880692.db2.gz FDUFLECIJQYQFP-AXFHLTTASA-N 1 3 232.318 2.009 10 0 BEAEHO CCCN1CC[C@H]([NH2+]CC(C)C)C[C@H]1C ZINC000252475293 519863806 /nfs/dbraw/zinc/86/38/06/519863806.db2.gz XQLAIQKDMNUQBO-OLZOCXBDSA-N 1 3 212.381 2.495 10 0 BEAEHO CC[C@H]([NH2+][C@@H]1CC[C@@H](N(C)C)C1)C1CC1 ZINC000222737720 535940272 /nfs/dbraw/zinc/94/02/72/535940272.db2.gz ZJKRQSXLDKXDQX-UPJWGTAASA-N 1 3 210.365 2.247 10 0 BEAEHO CCCC[N@@H+]1CCC[C@@]12CC[C@H](C)NC2 ZINC000757124070 582499462 /nfs/dbraw/zinc/49/94/62/582499462.db2.gz BNOUIKAPGMZWBP-STQMWFEESA-N 1 3 210.365 2.393 10 0 BEAEHO CCCC[N@H+]1CCC[C@@]12CC[C@H](C)NC2 ZINC000757124070 582499464 /nfs/dbraw/zinc/49/94/64/582499464.db2.gz BNOUIKAPGMZWBP-STQMWFEESA-N 1 3 210.365 2.393 10 0 BEAEHO COCC[C@H](C)[N@@H+]1CCC[C@@]12CC[C@@H](C)NC2 ZINC000757129540 582503859 /nfs/dbraw/zinc/50/38/59/582503859.db2.gz LVPKSLOZKOSVLV-RDBSUJKOSA-N 1 3 240.391 2.018 10 0 BEAEHO COCC[C@H](C)[N@H+]1CCC[C@@]12CC[C@@H](C)NC2 ZINC000757129540 582503860 /nfs/dbraw/zinc/50/38/60/582503860.db2.gz LVPKSLOZKOSVLV-RDBSUJKOSA-N 1 3 240.391 2.018 10 0 BEAEHO C[C@H](C1CC1)[N@@H+]1CCC[C@@]12CCCN[C@@H]2C ZINC000757132975 582508885 /nfs/dbraw/zinc/50/88/85/582508885.db2.gz SHXNQGQFOJWUPZ-YRGRVCCFSA-N 1 3 222.376 2.391 10 0 BEAEHO C[C@H](C1CC1)[N@H+]1CCC[C@@]12CCCN[C@@H]2C ZINC000757132975 582508888 /nfs/dbraw/zinc/50/88/88/582508888.db2.gz SHXNQGQFOJWUPZ-YRGRVCCFSA-N 1 3 222.376 2.391 10 0 BEAEHO CN(CCc1cccs1)[C@H]1CCC[NH2+]CC1 ZINC000086441809 644137294 /nfs/dbraw/zinc/13/72/94/644137294.db2.gz AFKDGIUYCIZNMM-LBPRGKRZSA-N 1 3 238.400 2.365 10 0 BEAEHO CC(C)[C@@H](C)[N@@H+]1CC[C@]2(C1)CCCNC2 ZINC000709867365 712229819 /nfs/dbraw/zinc/22/98/19/712229819.db2.gz JCTKZZCBSQGKTR-CHWSQXEVSA-N 1 3 210.365 2.106 10 0 BEAEHO CC(C)[C@@H](C)[N@H+]1CC[C@]2(C1)CCCNC2 ZINC000709867365 712229821 /nfs/dbraw/zinc/22/98/21/712229821.db2.gz JCTKZZCBSQGKTR-CHWSQXEVSA-N 1 3 210.365 2.106 10 0 BEAEHO CC[C@H]1CCCN(CCC[NH2+]C2CC2)C1 ZINC000037478635 712647804 /nfs/dbraw/zinc/64/78/04/712647804.db2.gz YSDMFQMZNNZPHB-LBPRGKRZSA-N 1 3 210.365 2.251 10 0 BEAEHO CC[C@H]1CCC[N@H+](CCCNC2CC2)C1 ZINC000037478635 712647805 /nfs/dbraw/zinc/64/78/05/712647805.db2.gz YSDMFQMZNNZPHB-LBPRGKRZSA-N 1 3 210.365 2.251 10 0 BEAEHO CC[C@H]1CCC[N@@H+](CCCNC2CC2)C1 ZINC000037478635 712647806 /nfs/dbraw/zinc/64/78/06/712647806.db2.gz YSDMFQMZNNZPHB-LBPRGKRZSA-N 1 3 210.365 2.251 10 0 BEAEHO Cc1cc(CNC2CC[NH+](C)CC2)cc(C)c1O ZINC000037248701 178019264 /nfs/dbraw/zinc/01/92/64/178019264.db2.gz URYHUEURWPTLLT-UHFFFAOYSA-N 1 3 248.370 2.193 10 0 BEAEHO C[C@@H]1CN(C[C@@H]2CCCCC2(F)F)CC[C@H]1[NH3+] ZINC000381623629 398254832 /nfs/dbraw/zinc/25/48/32/398254832.db2.gz SUDJKLNVDHTOSJ-GRYCIOLGSA-N 1 3 246.345 2.481 10 0 BEAEHO C[NH2+]C[C@@H]1CCN(C[C@@H]2CCCCC2(F)F)C1 ZINC000381596803 398265762 /nfs/dbraw/zinc/26/57/62/398265762.db2.gz FPLNFIPFJYBLPA-RYUDHWBXSA-N 1 3 246.345 2.353 10 0 BEAEHO CCC(CC)N(CCOC)C[C@](C)([NH3+])C1CC1 ZINC000042681724 168373487 /nfs/dbraw/zinc/37/34/87/168373487.db2.gz DMOHAHYJUPOVKN-AWEZNQCLSA-N 1 3 242.407 2.251 10 0 BEAEHO C[C@@H]([NH3+])c1ccccc1N(C)[C@@H]1CCCN(C)C1 ZINC000053245585 187271138 /nfs/dbraw/zinc/27/11/38/187271138.db2.gz ZDOPDCRIMQLOIT-CHWSQXEVSA-N 1 3 247.386 2.237 10 0 BEAEHO C[C@H]1CCC[C@H](C)[NH+]1CCCNC1CC1 ZINC000037478528 537820049 /nfs/dbraw/zinc/82/00/49/537820049.db2.gz XBYIFMKFUHTDTK-RYUDHWBXSA-N 1 3 210.365 2.391 10 0 BEAEHO C[C@H]1CCC[C@H](C)N1CCC[NH2+]C1CC1 ZINC000037478528 537820057 /nfs/dbraw/zinc/82/00/57/537820057.db2.gz XBYIFMKFUHTDTK-RYUDHWBXSA-N 1 3 210.365 2.391 10 0 BEAEHO C[NH2+]Cc1ccc(CN2CCCCC2)s1 ZINC000016942920 530005085 /nfs/dbraw/zinc/00/50/85/530005085.db2.gz ZNAYRBVRXOOCOH-UHFFFAOYSA-N 1 3 224.373 2.453 10 0 BEAEHO CCOc1cccc(CN2C[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000634999900 345202041 /nfs/dbraw/zinc/20/20/41/345202041.db2.gz BWSUAAWMLIYNOP-JSGCOSHPSA-N 1 3 248.370 2.112 10 0 BEAEHO Cc1ccccc1C[N@H+]1CCNCC[C@@H]1C ZINC000062609129 179274029 /nfs/dbraw/zinc/27/40/29/179274029.db2.gz VTYJGUZRDCWZLM-ZDUSSCGKSA-N 1 3 218.344 2.179 10 0 BEAEHO Cc1ccccc1C[N@@H+]1CCNCC[C@@H]1C ZINC000062609129 179274030 /nfs/dbraw/zinc/27/40/30/179274030.db2.gz VTYJGUZRDCWZLM-ZDUSSCGKSA-N 1 3 218.344 2.179 10 0 BEAEHO CC(C)CN(C[C@@]1(C)CC[NH2+]C1)C1CC1 ZINC000062911930 350562728 /nfs/dbraw/zinc/56/27/28/350562728.db2.gz GGVUQWWZOPBDOX-ZDUSSCGKSA-N 1 3 210.365 2.106 10 0 BEAEHO CN1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000306824528 351131954 /nfs/dbraw/zinc/13/19/54/351131954.db2.gz USAALUUCCKLXMC-LSDHHAIUSA-N 1 3 230.355 2.070 10 0 BEAEHO CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000306824528 351131957 /nfs/dbraw/zinc/13/19/57/351131957.db2.gz USAALUUCCKLXMC-LSDHHAIUSA-N 1 3 230.355 2.070 10 0 BEAEHO CC(C)(NCc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000038587388 363179833 /nfs/dbraw/zinc/17/98/33/363179833.db2.gz LPDLTLBVGLFEMJ-ZDUSSCGKSA-N 1 3 218.344 2.164 10 0 BEAEHO COc1ccc(CN2C[C@@H](C[NH3+])CC[C@@H]2C)cc1 ZINC000070199452 188304537 /nfs/dbraw/zinc/30/45/37/188304537.db2.gz GZPCMLPHWOEBGV-GXTWGEPZSA-N 1 3 248.370 2.254 10 0 BEAEHO c1ccc2c(c1)CN(C[C@H]1CCCC[NH2+]1)C=N2 ZINC000095079122 188319284 /nfs/dbraw/zinc/31/92/84/188319284.db2.gz ZNMJJWQTBFPGBT-CYBMUJFWSA-N 1 3 229.327 2.304 10 0 BEAEHO CC(C)C[C@H](C)[NH2+]C[C@H](C)CN(C)C ZINC000336683439 188341831 /nfs/dbraw/zinc/34/18/31/188341831.db2.gz IVPOSSPCLJGCPM-RYUDHWBXSA-N 1 3 200.370 2.208 10 0 BEAEHO CC(C)NC[C@H]1C[NH2+]C[C@H]1C1CCCCC1 ZINC000675050919 538473241 /nfs/dbraw/zinc/47/32/41/538473241.db2.gz ALZNMCSUTJWXQE-KGLIPLIRSA-N 1 3 224.392 2.400 10 0 BEAEHO C(NC1CC1)[C@H]1C[NH2+]C[C@H]1C1CCCCC1 ZINC000675051646 538475419 /nfs/dbraw/zinc/47/54/19/538475419.db2.gz WEMYRRVHYCEVBU-OCCSQVGLSA-N 1 3 222.376 2.154 10 0 BEAEHO CCC1CC[NH+](C2[C@@H](C)CNC[C@@H]2C)CC1 ZINC000685950573 538894064 /nfs/dbraw/zinc/89/40/64/538894064.db2.gz BFSFYMSQRNZHGV-RYUDHWBXSA-N 1 3 224.392 2.352 10 0 BEAEHO C[C@@H]1CNC[C@@H](C)C1[N@@H+]1CCCC1(C)C ZINC000685951372 538894816 /nfs/dbraw/zinc/89/48/16/538894816.db2.gz RMTLHLBEAMRCFX-GHMZBOCLSA-N 1 3 210.365 2.105 10 0 BEAEHO C[C@@H]1CNC[C@@H](C)C1[N@H+]1CCCC1(C)C ZINC000685951372 538894817 /nfs/dbraw/zinc/89/48/17/538894817.db2.gz RMTLHLBEAMRCFX-GHMZBOCLSA-N 1 3 210.365 2.105 10 0 BEAEHO C[C@H](N(C)C[C@@]1(C)CC[NH2+]C1)C(C)(C)C ZINC000219863053 358015071 /nfs/dbraw/zinc/01/50/71/358015071.db2.gz VHKPDJACYGASJG-AAEUAGOBSA-N 1 3 212.381 2.352 10 0 BEAEHO FC(F)(F)CCC[NH2+][C@@H]1CCCNCC1 ZINC000168778135 134247994 /nfs/dbraw/zinc/24/79/94/134247994.db2.gz JTRNGXPKJGDGSU-SECBINFHSA-N 1 3 224.270 2.061 10 0 BEAEHO C[C@H](NCCc1ccsc1)[C@@H]1CCC[NH2+]C1 ZINC000584833978 358197357 /nfs/dbraw/zinc/19/73/57/358197357.db2.gz BCYZPULDEVOPCB-WCQYABFASA-N 1 3 238.400 2.268 10 0 BEAEHO C[C@H]([NH2+]CCc1ccsc1)[C@@H]1CCCNC1 ZINC000584833978 358197360 /nfs/dbraw/zinc/19/73/60/358197360.db2.gz BCYZPULDEVOPCB-WCQYABFASA-N 1 3 238.400 2.268 10 0 BEAEHO CN(C)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC=CCC2)C1 ZINC000218951193 134268986 /nfs/dbraw/zinc/26/89/86/134268986.db2.gz KBTWUDRZFDXDHA-HZSPNIEDSA-N 1 3 222.376 2.415 10 0 BEAEHO COCCC(C)(C)C[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000578738380 366635354 /nfs/dbraw/zinc/63/53/54/366635354.db2.gz OULGVVMDYGVDLW-QWHCGFSZSA-N 1 3 242.407 2.027 10 0 BEAEHO CN1CCC[C@@H]2C[N@H+](CC(C)(C)C)CC[C@H]21 ZINC000092043325 360147422 /nfs/dbraw/zinc/14/74/22/360147422.db2.gz NMUUSSWUGRSSTO-CHWSQXEVSA-N 1 3 224.392 2.449 10 0 BEAEHO CN1CCC[C@@H]2C[N@@H+](CC(C)(C)C)CC[C@H]21 ZINC000092043325 360147425 /nfs/dbraw/zinc/14/74/25/360147425.db2.gz NMUUSSWUGRSSTO-CHWSQXEVSA-N 1 3 224.392 2.449 10 0 BEAEHO CCC[C@H](CN[C@@H](C)[C@@H]1CCC[NH2+]C1)OCC ZINC000629515046 361112344 /nfs/dbraw/zinc/11/23/44/361112344.db2.gz PUXIVXGGIWHSRQ-BFHYXJOUSA-N 1 3 242.407 2.169 10 0 BEAEHO NC1(C[N@@H+]2CCCSCC2)CCCCC1 ZINC000042444938 181330777 /nfs/dbraw/zinc/33/07/77/181330777.db2.gz SWUXHTPTXHCVHL-UHFFFAOYSA-N 1 3 228.405 2.087 10 0 BEAEHO NC1(C[N@H+]2CCCSCC2)CCCCC1 ZINC000042444938 181330779 /nfs/dbraw/zinc/33/07/79/181330779.db2.gz SWUXHTPTXHCVHL-UHFFFAOYSA-N 1 3 228.405 2.087 10 0 BEAEHO C([NH2+][C@H]1CCCNCC1)[C@@H]1CCCC12CC2 ZINC000629553925 361439603 /nfs/dbraw/zinc/43/96/03/361439603.db2.gz DSWCCZXQIILQSW-STQMWFEESA-N 1 3 222.376 2.298 10 0 BEAEHO [NH3+]C1CCC(NCc2ccc(Cl)o2)CC1 ZINC000051692845 181341860 /nfs/dbraw/zinc/34/18/60/181341860.db2.gz GMCDWRKYHXGSCQ-UHFFFAOYSA-N 1 3 228.723 2.293 10 0 BEAEHO CC(C)CC[NH2+][C@]12CCN[C@H]1CCCC2 ZINC000725272957 541340497 /nfs/dbraw/zinc/34/04/97/541340497.db2.gz WDTFMLGJSGKQSU-QWHCGFSZSA-N 1 3 210.365 2.297 10 0 BEAEHO [NH3+]CC1(CN2CCc3ccccc3C2)CCC1 ZINC000058082626 181358628 /nfs/dbraw/zinc/35/86/28/181358628.db2.gz OGYTWZJCPLTDJC-UHFFFAOYSA-N 1 3 230.355 2.174 10 0 BEAEHO [NH3+]CCCCCN1CCOc2ccccc2C1 ZINC000063012412 181375331 /nfs/dbraw/zinc/37/53/31/181375331.db2.gz DIHWQVQRESCMAO-UHFFFAOYSA-N 1 3 234.343 2.010 10 0 BEAEHO NCCC[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000037713645 181382263 /nfs/dbraw/zinc/38/22/63/181382263.db2.gz LYPSZXIBXPYAQF-UHFFFAOYSA-N 1 3 222.307 2.010 10 0 BEAEHO [NH3+]CCCNC1CC(c2ccc(F)cc2)C1 ZINC000037713645 181382265 /nfs/dbraw/zinc/38/22/65/181382265.db2.gz LYPSZXIBXPYAQF-UHFFFAOYSA-N 1 3 222.307 2.010 10 0 BEAEHO [NH3+]CCN(Cc1ccccc1)c1ccncc1 ZINC000038033130 181391110 /nfs/dbraw/zinc/39/11/10/181391110.db2.gz MUPDDYPISZQLSW-UHFFFAOYSA-N 1 3 227.311 2.047 10 0 BEAEHO [NH3+][C@@H]1CCC[C@]12CCN(Cc1ccccc1)C2 ZINC000101467046 368383753 /nfs/dbraw/zinc/38/37/53/368383753.db2.gz XSLBNUDXCRSMOS-HUUCEWRRSA-N 1 3 230.355 2.390 10 0 BEAEHO CSCCCC[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000566908980 326092932 /nfs/dbraw/zinc/09/29/32/326092932.db2.gz RSTQICKOBVTMNR-RYUDHWBXSA-N 1 3 230.421 2.107 10 0 BEAEHO C[C@@H]1C[N@H+](CCCc2ccccc2)C[C@@H]1CN ZINC000631843097 369373200 /nfs/dbraw/zinc/37/32/00/369373200.db2.gz JGCWODWIDVAGJA-HIFRSBDPSA-N 1 3 232.371 2.146 10 0 BEAEHO C[C@@H]1C[N@@H+](CCCc2ccccc2)C[C@@H]1CN ZINC000631843097 369373202 /nfs/dbraw/zinc/37/32/02/369373202.db2.gz JGCWODWIDVAGJA-HIFRSBDPSA-N 1 3 232.371 2.146 10 0 BEAEHO Cc1ccc(CN2C[C@H](C)[C@@H](C[NH3+])C2)cc1C ZINC000631837648 372628841 /nfs/dbraw/zinc/62/88/41/372628841.db2.gz DMPVVFJVZVNNRC-ZFWWWQNUSA-N 1 3 232.371 2.330 10 0 BEAEHO Cc1ccc(C[N@H+]2C[C@H](C)[C@@H](CN)C2)cc1C ZINC000631837648 372628845 /nfs/dbraw/zinc/62/88/45/372628845.db2.gz DMPVVFJVZVNNRC-ZFWWWQNUSA-N 1 3 232.371 2.330 10 0 BEAEHO Cc1ccc(C[N@@H+]2C[C@H](C)[C@@H](CN)C2)cc1C ZINC000631837648 372628853 /nfs/dbraw/zinc/62/88/53/372628853.db2.gz DMPVVFJVZVNNRC-ZFWWWQNUSA-N 1 3 232.371 2.330 10 0 BEAEHO COc1cccc([C@H](C)N2C[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000631840133 372636551 /nfs/dbraw/zinc/63/65/51/372636551.db2.gz PWIAYWFXDQKFHQ-DYEKYZERSA-N 1 3 248.370 2.283 10 0 BEAEHO CCN1CC[C@H](C[NH3+])[C@@H]1c1ccsc1 ZINC000069797150 373807871 /nfs/dbraw/zinc/80/78/71/373807871.db2.gz NELRLMCURWMTCL-MWLCHTKSSA-N 1 3 210.346 2.090 10 0 BEAEHO CCCN([C@@H](C)COC)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000053199477 169091733 /nfs/dbraw/zinc/09/17/33/169091733.db2.gz ISAJNQVYKCGEMD-ICIURTGMSA-N 1 3 240.391 2.016 10 0 BEAEHO CCCN(CC)Cc1ccc(F)cc1C(N)=[NH2+] ZINC000071267629 169129470 /nfs/dbraw/zinc/12/94/70/169129470.db2.gz IVCUNNJKVIYQKT-UHFFFAOYSA-N 1 3 237.322 2.342 10 0 BEAEHO CCCN(CCO)C[C@](C)(CC)C[NH2+]C(C)C ZINC000051252812 169165628 /nfs/dbraw/zinc/16/56/28/169165628.db2.gz NRXOLQQEJJSSRR-CQSZACIVSA-N 1 3 244.423 2.105 10 0 BEAEHO CCC[NH2+]CCCCCN1CCOCC1(C)C ZINC000052546169 169256494 /nfs/dbraw/zinc/25/64/94/169256494.db2.gz OMLBQZHOLWYEHW-UHFFFAOYSA-N 1 3 242.407 2.267 10 0 BEAEHO CCC[NH2+]CCC[C@H](C)N1C[C@H](C)OC[C@@H]1C ZINC000052476610 169258606 /nfs/dbraw/zinc/25/86/06/169258606.db2.gz RXLHNXSIERXFET-IHRRRGAJSA-N 1 3 242.407 2.264 10 0 BEAEHO CCC[NH2+]C[C@H](OCCN1CCCC1)C(C)C ZINC000052670009 169264477 /nfs/dbraw/zinc/26/44/77/169264477.db2.gz CSCROISNUHZEGV-AWEZNQCLSA-N 1 3 242.407 2.123 10 0 BEAEHO CC[C@@H]1CC[N@@H+]([C@@H](C)C(C)C)CCCN1 ZINC000049662747 171014222 /nfs/dbraw/zinc/01/42/22/171014222.db2.gz ZAOHQEDBLJACCZ-QWHCGFSZSA-N 1 3 212.381 2.495 10 0 BEAEHO CC[C@@H]1CC[N@H+]([C@@H](C)C(C)C)CCCN1 ZINC000049662747 171014224 /nfs/dbraw/zinc/01/42/24/171014224.db2.gz ZAOHQEDBLJACCZ-QWHCGFSZSA-N 1 3 212.381 2.495 10 0 BEAEHO C[NH+](C)CCC1CN(Cc2ccccc2)C1 ZINC000095074256 384350714 /nfs/dbraw/zinc/35/07/14/384350714.db2.gz WEWCZOLYOCMQJH-UHFFFAOYSA-N 1 3 218.344 2.070 10 0 BEAEHO C[C@@H]([NH2+]CCc1cccs1)[C@@H]1CCCNC1 ZINC000560966889 384430317 /nfs/dbraw/zinc/43/03/17/384430317.db2.gz XZASZKUNQJKKJF-VXGBXAGGSA-N 1 3 238.400 2.268 10 0 BEAEHO C[C@@H](NCCc1cccs1)[C@@H]1CCC[NH2+]C1 ZINC000560966889 384430323 /nfs/dbraw/zinc/43/03/23/384430323.db2.gz XZASZKUNQJKKJF-VXGBXAGGSA-N 1 3 238.400 2.268 10 0 BEAEHO C[C@H]([NH2+]CCc1cccs1)[C@H]1CCCNC1 ZINC000560966883 384430528 /nfs/dbraw/zinc/43/05/28/384430528.db2.gz XZASZKUNQJKKJF-RYUDHWBXSA-N 1 3 238.400 2.268 10 0 BEAEHO C[C@H](NCCc1cccs1)[C@H]1CCC[NH2+]C1 ZINC000560966883 384430531 /nfs/dbraw/zinc/43/05/31/384430531.db2.gz XZASZKUNQJKKJF-RYUDHWBXSA-N 1 3 238.400 2.268 10 0 BEAEHO FC1(F)CCC[C@@H]1CN[C@@H]1CCC[NH2+]CC1 ZINC000335661253 384465048 /nfs/dbraw/zinc/46/50/48/384465048.db2.gz FUDIYVZUMPXCEA-GHMZBOCLSA-N 1 3 232.318 2.154 10 0 BEAEHO FC1(F)CCC[C@@H]1C[NH2+][C@@H]1CCCNCC1 ZINC000335661253 384465053 /nfs/dbraw/zinc/46/50/53/384465053.db2.gz FUDIYVZUMPXCEA-GHMZBOCLSA-N 1 3 232.318 2.154 10 0 BEAEHO FC1(F)CCCC[C@@H]1C[NH2+]C1CCNCC1 ZINC000335664490 384479513 /nfs/dbraw/zinc/47/95/13/384479513.db2.gz SMIIFNUXOWEHGN-SNVBAGLBSA-N 1 3 232.318 2.154 10 0 BEAEHO FC1(F)CCCC[C@@H]1CNC1CC[NH2+]CC1 ZINC000335664490 384479519 /nfs/dbraw/zinc/47/95/19/384479519.db2.gz SMIIFNUXOWEHGN-SNVBAGLBSA-N 1 3 232.318 2.154 10 0 BEAEHO Cc1ccc(C)c([C@@H](C)NCCC[NH3+])c1 ZINC000037713305 384510290 /nfs/dbraw/zinc/51/02/90/384510290.db2.gz SRGFUTIANPWYLV-GFCCVEGCSA-N 1 3 206.333 2.303 10 0 BEAEHO CC(C)[C@@H](NCCC[NH3+])c1ccccc1 ZINC000037713845 384513753 /nfs/dbraw/zinc/51/37/53/384513753.db2.gz UCJQOJXAQJWWKF-CYBMUJFWSA-N 1 3 206.333 2.322 10 0 BEAEHO C[N@H+](C[C@H]1CCCNC1)C1CC(C)(C)C1 ZINC000335664890 384836895 /nfs/dbraw/zinc/83/68/95/384836895.db2.gz XMDDTJCIVAROGX-NSHDSACASA-N 1 3 210.365 2.106 10 0 BEAEHO C[N@@H+](C[C@H]1CCCNC1)C1CC(C)(C)C1 ZINC000335664890 384836900 /nfs/dbraw/zinc/83/69/00/384836900.db2.gz XMDDTJCIVAROGX-NSHDSACASA-N 1 3 210.365 2.106 10 0 BEAEHO CN(C[C@H]1CCC[NH2+]C1)C1CC(C)(C)C1 ZINC000335664890 384836906 /nfs/dbraw/zinc/83/69/06/384836906.db2.gz XMDDTJCIVAROGX-NSHDSACASA-N 1 3 210.365 2.106 10 0 BEAEHO CC(C)(CC[NH3+])NCc1cccc(F)c1 ZINC000258931053 384953042 /nfs/dbraw/zinc/95/30/42/384953042.db2.gz VJIYUYUBNHUIPA-UHFFFAOYSA-N 1 3 210.296 2.043 10 0 BEAEHO Cc1cc(C)c(CNCC[C@@H](C)[NH3+])cc1C ZINC000258681938 384932591 /nfs/dbraw/zinc/93/25/91/384932591.db2.gz DUWDYLQHFCXDRG-CYBMUJFWSA-N 1 3 220.360 2.439 10 0 BEAEHO CC(C)(C[NH2+][C@H]1CCNC1)C1CCCC1 ZINC000258910550 384942838 /nfs/dbraw/zinc/94/28/38/384942838.db2.gz IFHVIQRGCNKDGL-LBPRGKRZSA-N 1 3 210.365 2.154 10 0 BEAEHO C[C@H]([NH2+]CCc1ccccc1)[C@H]1CCCNC1 ZINC000514660627 387050584 /nfs/dbraw/zinc/05/05/84/387050584.db2.gz YVYFAYPVOYARHI-ZFWWWQNUSA-N 1 3 232.371 2.207 10 0 BEAEHO C[C@H](NCCc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000514660627 387050590 /nfs/dbraw/zinc/05/05/90/387050590.db2.gz YVYFAYPVOYARHI-ZFWWWQNUSA-N 1 3 232.371 2.207 10 0 BEAEHO N[C@@H](CCC[NH3+])c1c(F)cc(Cl)cc1F ZINC000575438201 387109948 /nfs/dbraw/zinc/10/99/48/387109948.db2.gz DUSSQCJOVVSHOV-VIFPVBQESA-N 1 3 234.677 2.357 10 0 BEAEHO N[C@H](CCCC[NH3+])c1c(F)ccc(F)c1F ZINC000575439885 387126132 /nfs/dbraw/zinc/12/61/32/387126132.db2.gz NSAHALGRALHWJJ-SECBINFHSA-N 1 3 232.249 2.233 10 0 BEAEHO CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]CC1CNC1 ZINC000423308061 387142949 /nfs/dbraw/zinc/14/29/49/387142949.db2.gz XGKTYCKNCIMQRM-QWHCGFSZSA-N 1 3 224.392 2.400 10 0 BEAEHO C[C@H](C[NH2+][C@H]1CCCNCC1)CC(F)(F)F ZINC000396897895 387509656 /nfs/dbraw/zinc/50/96/56/387509656.db2.gz AISHFZSFLKIGMW-UWVGGRQHSA-N 1 3 238.297 2.307 10 0 BEAEHO C[C@H](Cc1cccs1)N[C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400709923 387565828 /nfs/dbraw/zinc/56/58/28/387565828.db2.gz LWYNZBCPMQRCCK-GRYCIOLGSA-N 1 3 238.400 2.267 10 0 BEAEHO CCC[C@@H]1C[C@@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422959890 387811904 /nfs/dbraw/zinc/81/19/04/387811904.db2.gz AGZIZEOOKNUDMS-VKYHIEHISA-N 1 3 208.349 2.048 10 0 BEAEHO c1ccc(OCCCN[C@@H]2CCC[NH2+]CC2)cc1 ZINC000129225180 387766543 /nfs/dbraw/zinc/76/65/43/387766543.db2.gz PLMMLKLDBPUUQK-CQSZACIVSA-N 1 3 248.370 2.187 10 0 BEAEHO c1ccc(OCCC[NH2+][C@@H]2CCCNCC2)cc1 ZINC000129225180 387766546 /nfs/dbraw/zinc/76/65/46/387766546.db2.gz PLMMLKLDBPUUQK-CQSZACIVSA-N 1 3 248.370 2.187 10 0 BEAEHO C[C@H](NC[C@H]1CCCC1(F)F)[C@H]1CC[NH2+]C1 ZINC000400509560 387985359 /nfs/dbraw/zinc/98/53/59/387985359.db2.gz FDUFLECIJQYQFP-GARJFASQSA-N 1 3 232.318 2.009 10 0 BEAEHO CC[C@H]([NH3+])CNc1ccnc2ccccc21 ZINC000082579316 388037698 /nfs/dbraw/zinc/03/76/98/388037698.db2.gz JSDGHNXKMCZGGG-JTQLQIEISA-N 1 3 215.300 2.384 10 0 BEAEHO NC[C@@H]1CCC[C@H]1[NH2+][C@H]1CCC12CCCC2 ZINC000423274867 388054361 /nfs/dbraw/zinc/05/43/61/388054361.db2.gz MQWAYNSTNBLOMJ-XQQFMLRXSA-N 1 3 222.376 2.426 10 0 BEAEHO Cc1ccsc1CN[C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400327499 388116678 /nfs/dbraw/zinc/11/66/78/388116678.db2.gz BVNSXMXETVDCOM-WDEREUQCSA-N 1 3 224.373 2.144 10 0 BEAEHO CN1CCC[C@@H]1CC[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000646090153 388140304 /nfs/dbraw/zinc/14/03/04/388140304.db2.gz XGVGBIPVMITCNQ-REWJHTLYSA-N 1 3 222.376 2.249 10 0 BEAEHO N[C@@H](CCC[NH3+])c1c(F)ccc(Cl)c1F ZINC000575438988 388625946 /nfs/dbraw/zinc/62/59/46/388625946.db2.gz PDRDBSONOJJXHE-QMMMGPOBSA-N 1 3 234.677 2.357 10 0 BEAEHO C([NH2+][C@H]1CCNC1)C(C1CCC1)C1CCC1 ZINC000530212073 388627370 /nfs/dbraw/zinc/62/73/70/388627370.db2.gz OGTXWUADSFCCET-ZDUSSCGKSA-N 1 3 222.376 2.154 10 0 BEAEHO C[C@@H]1CCC[C@H](N(C)C[C@@]2(C)CC[NH2+]C2)C1 ZINC000219860693 134292199 /nfs/dbraw/zinc/29/21/99/134292199.db2.gz OIVQKZLRNVMPBW-RDBSUJKOSA-N 1 3 224.392 2.497 10 0 BEAEHO C1CC1[N@@H+]1CCC[C@@H]2CN(C3CCC3)CC[C@H]21 ZINC000179587046 134321950 /nfs/dbraw/zinc/32/19/50/134321950.db2.gz IJMIXASKKHRQSM-IUODEOHRSA-N 1 3 234.387 2.488 10 0 BEAEHO C1CC1[N@H+]1CCC[C@@H]2CN(C3CCC3)CC[C@H]21 ZINC000179587046 134321951 /nfs/dbraw/zinc/32/19/51/134321951.db2.gz IJMIXASKKHRQSM-IUODEOHRSA-N 1 3 234.387 2.488 10 0 BEAEHO C[C@H]([NH2+][C@H]1CC[C@@H](N(C)C)C1)C(C)(C)C ZINC000222735817 134333974 /nfs/dbraw/zinc/33/39/74/134333974.db2.gz IZRIMIVTZHQMCT-SDDRHHMPSA-N 1 3 212.381 2.493 10 0 BEAEHO C[C@H]([NH2+][C@@H]1CC[C@@H](N(C)C)C1)C(C)(C)C ZINC000222735682 134334094 /nfs/dbraw/zinc/33/40/94/134334094.db2.gz IZRIMIVTZHQMCT-QJPTWQEYSA-N 1 3 212.381 2.493 10 0 BEAEHO Cc1ccc2nccc(N[C@H](C)C[NH3+])c2c1 ZINC000257761429 135141683 /nfs/dbraw/zinc/14/16/83/135141683.db2.gz WNBMKRMMZYYGJD-SNVBAGLBSA-N 1 3 215.300 2.302 10 0 BEAEHO CC1(C)C[N@H+](CCc2ccccc2)CC[C@@H]1N ZINC000259383211 135142714 /nfs/dbraw/zinc/14/27/14/135142714.db2.gz WHWSWGVRLHWJSG-AWEZNQCLSA-N 1 3 232.371 2.288 10 0 BEAEHO CC1(C)C[N@@H+](CCc2ccccc2)CC[C@@H]1N ZINC000259383211 135142715 /nfs/dbraw/zinc/14/27/15/135142715.db2.gz WHWSWGVRLHWJSG-AWEZNQCLSA-N 1 3 232.371 2.288 10 0 BEAEHO C[C@@]1(CN)CC[N@H+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC000261538254 135175634 /nfs/dbraw/zinc/17/56/34/135175634.db2.gz UNHYWDSVERHZFX-NEPJUHHUSA-N 1 3 246.345 2.483 10 0 BEAEHO C[C@@]1(CN)CC[N@@H+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC000261538254 135175636 /nfs/dbraw/zinc/17/56/36/135175636.db2.gz UNHYWDSVERHZFX-NEPJUHHUSA-N 1 3 246.345 2.483 10 0 BEAEHO CCc1ccc(CNCC[C@H](C)[NH3+])cc1 ZINC000258736478 322877297 /nfs/dbraw/zinc/87/72/97/322877297.db2.gz KNDTXLFIKTZHFG-NSHDSACASA-N 1 3 206.333 2.076 10 0 BEAEHO C[C@H]([NH3+])[C@@H]1CCN(C[C@@H]2CCCCC2(F)F)C1 ZINC000394486497 410795491 /nfs/dbraw/zinc/79/54/91/410795491.db2.gz HSMDQQVNBRFMAU-TUAOUCFPSA-N 1 3 246.345 2.481 10 0 BEAEHO CC(C)CC[NH+]1C[C@@H](C)CNC[C@H](C)C1 ZINC000049663275 166843472 /nfs/dbraw/zinc/84/34/72/166843472.db2.gz JAICRFDRYMZFIP-STQMWFEESA-N 1 3 212.381 2.210 10 0 BEAEHO CC(C)[NH2+]CCCCN(C)Cc1ccncc1 ZINC000037634945 167102713 /nfs/dbraw/zinc/10/27/13/167102713.db2.gz AXRJKGFXSYGLGA-UHFFFAOYSA-N 1 3 235.375 2.292 10 0 BEAEHO CC(C)[NH2+]Cc1ccccc1N(C)CCN(C)C ZINC000104200873 167121301 /nfs/dbraw/zinc/12/13/01/167121301.db2.gz XETIPVBUTAGTSP-UHFFFAOYSA-N 1 3 249.402 2.182 10 0 BEAEHO CC1CCC(C[N@@H+]2CC[C@H](CN)C2)CC1 ZINC000063145776 168152863 /nfs/dbraw/zinc/15/28/63/168152863.db2.gz QEEQCCAYYHLCRW-WXRRBKDZSA-N 1 3 210.365 2.093 10 0 BEAEHO CC1CCC(C[N@H+]2CC[C@H](CN)C2)CC1 ZINC000063145776 168152865 /nfs/dbraw/zinc/15/28/65/168152865.db2.gz QEEQCCAYYHLCRW-WXRRBKDZSA-N 1 3 210.365 2.093 10 0 BEAEHO CC1CC[NH+](C[C@H]2C[C@H](C)CC[C@@H]2N)CC1 ZINC000053860888 168182512 /nfs/dbraw/zinc/18/25/12/168182512.db2.gz JTFYLZMGHNQAOL-MCIONIFRSA-N 1 3 224.392 2.482 10 0 BEAEHO CCN1CC[C@@H](C[NH2+][C@@H](C)CC(C)(C)OC)C1 ZINC000037644174 170008080 /nfs/dbraw/zinc/00/80/80/170008080.db2.gz VHOUKRLIUUCHGY-STQMWFEESA-N 1 3 242.407 2.121 10 0 BEAEHO CC[NH2+]C1CCN(CC2CCCC2)CC1 ZINC000087876320 170108241 /nfs/dbraw/zinc/10/82/41/170108241.db2.gz XZQSAICLFKERGM-UHFFFAOYSA-N 1 3 210.365 2.251 10 0 BEAEHO CCNC1CC[NH+](CC2CCCC2)CC1 ZINC000087876320 170108242 /nfs/dbraw/zinc/10/82/42/170108242.db2.gz XZQSAICLFKERGM-UHFFFAOYSA-N 1 3 210.365 2.251 10 0 BEAEHO CCNC[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000053012599 170120448 /nfs/dbraw/zinc/12/04/48/170120448.db2.gz IYBUQTNWSLPDKC-LBPRGKRZSA-N 1 3 210.365 2.251 10 0 BEAEHO CCNC[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000053012599 170120449 /nfs/dbraw/zinc/12/04/49/170120449.db2.gz IYBUQTNWSLPDKC-LBPRGKRZSA-N 1 3 210.365 2.251 10 0 BEAEHO CCNC[C@H]1CC[N@@H+](C2CCC(C)CC2)C1 ZINC000053012856 170122718 /nfs/dbraw/zinc/12/27/18/170122718.db2.gz CFBGFSKZQSAQNH-ROKHWSDSSA-N 1 3 224.392 2.497 10 0 BEAEHO CCNC[C@H]1CC[N@H+](C2CCC(C)CC2)C1 ZINC000053012856 170122720 /nfs/dbraw/zinc/12/27/20/170122720.db2.gz CFBGFSKZQSAQNH-ROKHWSDSSA-N 1 3 224.392 2.497 10 0 BEAEHO CC[NH2+][C@@H]1CCC[C@@H]1CN(CC)[C@@H](C)COC ZINC000053871456 170150227 /nfs/dbraw/zinc/15/02/27/170150227.db2.gz GZCNVJYWNPIWAY-BFHYXJOUSA-N 1 3 242.407 2.121 10 0 BEAEHO CC[NH2+][C@H]1CCC[C@H]1CN1CCCSCC1 ZINC000053879675 170166762 /nfs/dbraw/zinc/16/67/62/170166762.db2.gz ODULMMFCECUKQI-STQMWFEESA-N 1 3 242.432 2.204 10 0 BEAEHO CCOC1CCN(C[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000053858548 170332072 /nfs/dbraw/zinc/33/20/72/170332072.db2.gz PFARLFLLUMGDNY-GXTWGEPZSA-N 1 3 240.391 2.005 10 0 BEAEHO CC[C@@H]1CC[N@@H+](C2CCOCC2)CC[C@H](C)N1 ZINC000049666368 171009440 /nfs/dbraw/zinc/00/94/40/171009440.db2.gz LJEHIEMICATRTQ-QWHCGFSZSA-N 1 3 240.391 2.018 10 0 BEAEHO CC[C@@H]1CC[N@H+](C2CCOCC2)CC[C@H](C)N1 ZINC000049666368 171009443 /nfs/dbraw/zinc/00/94/43/171009443.db2.gz LJEHIEMICATRTQ-QWHCGFSZSA-N 1 3 240.391 2.018 10 0 BEAEHO CC[C@@H]1CCN(C2CCOCC2)CC[C@H](C)[NH2+]1 ZINC000049666368 171009445 /nfs/dbraw/zinc/00/94/45/171009445.db2.gz LJEHIEMICATRTQ-QWHCGFSZSA-N 1 3 240.391 2.018 10 0 BEAEHO CC[C@@H]1CCN(C[C@@H]2CCCO2)CC[C@H](C)[NH2+]1 ZINC000049662854 171011667 /nfs/dbraw/zinc/01/16/67/171011667.db2.gz FADRNIIZBVMKHM-MJBXVCDLSA-N 1 3 240.391 2.018 10 0 BEAEHO CC[C@@H]1CO[C@@H](C)CN1CCC[C@@H]1CCC[NH2+]1 ZINC000052764416 171110296 /nfs/dbraw/zinc/11/02/96/171110296.db2.gz OKSRYDVXAIYHHG-MELADBBJSA-N 1 3 240.391 2.018 10 0 BEAEHO CC[C@H](C)N(CCOC)C[C@@](C)(CC)C[NH2+]C ZINC000051256629 171315408 /nfs/dbraw/zinc/31/54/08/171315408.db2.gz FHGGVYQXLMIFAG-KBPBESRZSA-N 1 3 244.423 2.369 10 0 BEAEHO CC[C@H](C)N(CCOC)CC[C@@H]1CCCC[NH2+]1 ZINC000042584318 171315551 /nfs/dbraw/zinc/31/55/51/171315551.db2.gz GKMPZUHALJEINT-KBPBESRZSA-N 1 3 242.407 2.266 10 0 BEAEHO C[C@H]([NH2+]C[C@]1(C)CC1(F)F)[C@@H]1CCCNC1 ZINC000665265670 412208389 /nfs/dbraw/zinc/20/83/89/412208389.db2.gz ZAXVZOXMGIZBLA-AXFHLTTASA-N 1 3 232.318 2.009 10 0 BEAEHO C[C@H](NC[C@]1(C)CC1(F)F)[C@@H]1CCC[NH2+]C1 ZINC000665265670 412208392 /nfs/dbraw/zinc/20/83/92/412208392.db2.gz ZAXVZOXMGIZBLA-AXFHLTTASA-N 1 3 232.318 2.009 10 0 BEAEHO C(C[NH2+][C@@H]1CCCNCC1)CC1CCC1 ZINC000665267563 412211197 /nfs/dbraw/zinc/21/11/97/412211197.db2.gz YPWCTVTYALFUCC-CYBMUJFWSA-N 1 3 210.365 2.298 10 0 BEAEHO C[C@@H](NCC1=CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000665274536 412217360 /nfs/dbraw/zinc/21/73/60/412217360.db2.gz SDQKOSVGJNMSPO-DGCLKSJQSA-N 1 3 208.349 2.074 10 0 BEAEHO CCn1ccnc1NC[C@@H]([NH3+])c1ccccc1 ZINC000062838664 172227100 /nfs/dbraw/zinc/22/71/00/172227100.db2.gz GWNNVGBRWIFNQH-GFCCVEGCSA-N 1 3 230.315 2.015 10 0 BEAEHO CNC[C@H]1CC[N@@H+]([C@@H](C)C2CCCCC2)C1 ZINC000053035303 173382313 /nfs/dbraw/zinc/38/23/13/173382313.db2.gz GQMPSKQIBLIPAI-QWHCGFSZSA-N 1 3 224.392 2.497 10 0 BEAEHO CNC[C@H]1CC[N@H+]([C@@H](C)C2CCCCC2)C1 ZINC000053035303 173382314 /nfs/dbraw/zinc/38/23/14/173382314.db2.gz GQMPSKQIBLIPAI-QWHCGFSZSA-N 1 3 224.392 2.497 10 0 BEAEHO CNCc1cc(C[N@@H+]2CCC[C@H]2C)c(C)o1 ZINC000052376109 173387127 /nfs/dbraw/zinc/38/71/27/173387127.db2.gz WIWVOQVIFVKACA-SNVBAGLBSA-N 1 3 222.332 2.292 10 0 BEAEHO CNCc1cc(C[N@H+]2CCC[C@H]2C)c(C)o1 ZINC000052376109 173387129 /nfs/dbraw/zinc/38/71/29/173387129.db2.gz WIWVOQVIFVKACA-SNVBAGLBSA-N 1 3 222.332 2.292 10 0 BEAEHO C[NH2+]Cc1cc2occc2c(OCCN(C)C)c1 ZINC000073739380 173387170 /nfs/dbraw/zinc/38/71/70/173387170.db2.gz YLTDOBYQEDFKHZ-UHFFFAOYSA-N 1 3 248.326 2.093 10 0 BEAEHO COCCN(C1CC1)[C@]1(C[NH3+])CCCC[C@@H]1C ZINC000042517898 174285188 /nfs/dbraw/zinc/28/51/88/174285188.db2.gz FEMBKSWMOJKWQO-JSGCOSHPSA-N 1 3 240.391 2.005 10 0 BEAEHO COCCN(CC1([NH3+])CCCC1)[C@@H](C)C1CC1 ZINC000042689300 174288125 /nfs/dbraw/zinc/28/81/25/174288125.db2.gz VRVQTBAYMABEAX-LBPRGKRZSA-N 1 3 240.391 2.005 10 0 BEAEHO COCC[N@H+](CC1(N)CCCC1)[C@@H](C)C1CC1 ZINC000042689300 174288126 /nfs/dbraw/zinc/28/81/26/174288126.db2.gz VRVQTBAYMABEAX-LBPRGKRZSA-N 1 3 240.391 2.005 10 0 BEAEHO COCC[N@@H+](CC1(N)CCCC1)[C@@H](C)C1CC1 ZINC000042689300 174288128 /nfs/dbraw/zinc/28/81/28/174288128.db2.gz VRVQTBAYMABEAX-LBPRGKRZSA-N 1 3 240.391 2.005 10 0 BEAEHO COc1ccc([C@@H](N)CC[NH+]2CCCC2)cc1 ZINC000020274047 175179331 /nfs/dbraw/zinc/17/93/31/175179331.db2.gz OOORKEVKYJEFLS-AWEZNQCLSA-N 1 3 234.343 2.181 10 0 BEAEHO COc1ccc([C@@H]([NH3+])CCN2CCCC2)cc1 ZINC000020274047 175179332 /nfs/dbraw/zinc/17/93/32/175179332.db2.gz OOORKEVKYJEFLS-AWEZNQCLSA-N 1 3 234.343 2.181 10 0 BEAEHO COc1cccc([C@@H](C)N2CC[C@H](C[NH3+])C2)c1 ZINC000050245107 175286611 /nfs/dbraw/zinc/28/66/11/175286611.db2.gz VCXTXKXNJZLDCD-VXGBXAGGSA-N 1 3 234.343 2.037 10 0 BEAEHO COc1cccc([C@H](C)N2C[C@@H](C[NH3+])C[C@H]2C)c1 ZINC000131455715 175292644 /nfs/dbraw/zinc/29/26/44/175292644.db2.gz MHULZIDFKNLKME-FRRDWIJNSA-N 1 3 248.370 2.425 10 0 BEAEHO C[C@@H](C[NH3+])CN(C)c1ccnc2ccccc21 ZINC000042455574 175707360 /nfs/dbraw/zinc/70/73/60/175707360.db2.gz OSDPEVMMSGSGQW-NSHDSACASA-N 1 3 229.327 2.266 10 0 BEAEHO C[C@@H]1CCN(C[C@@H]2CCCCO2)CC[C@@H](C)[NH2+]1 ZINC000042824649 176171615 /nfs/dbraw/zinc/17/16/15/176171615.db2.gz DGIDCJKZMNHUOJ-MCIONIFRSA-N 1 3 240.391 2.018 10 0 BEAEHO C[C@@H]1CCN(Cc2ccc(C[NH3+])cc2F)C1 ZINC000040717022 176174783 /nfs/dbraw/zinc/17/47/83/176174783.db2.gz PSAWXGCSWZGCAU-SNVBAGLBSA-N 1 3 222.307 2.126 10 0 BEAEHO C[C@@H]1CNCCC[N@H+](CC2CCCCC2)C1 ZINC000049666078 176324788 /nfs/dbraw/zinc/32/47/88/176324788.db2.gz JNVXPXAIOFEGHG-CYBMUJFWSA-N 1 3 224.392 2.498 10 0 BEAEHO C[C@@H]1CNCCC[N@@H+](CC2CCCCC2)C1 ZINC000049666078 176324790 /nfs/dbraw/zinc/32/47/90/176324790.db2.gz JNVXPXAIOFEGHG-CYBMUJFWSA-N 1 3 224.392 2.498 10 0 BEAEHO C[C@@H]1CNC[C@@H](C)C[NH+](C(C2CC2)C2CC2)C1 ZINC000049668090 176328492 /nfs/dbraw/zinc/32/84/92/176328492.db2.gz NERSHPNGSGXCDO-VXGBXAGGSA-N 1 3 236.403 2.352 10 0 BEAEHO C[C@H]1CCCC[C@@H]1[NH+]1CCCNCCC1 ZINC000049665316 177081714 /nfs/dbraw/zinc/08/17/14/177081714.db2.gz WDNUUNHKJGCJIW-STQMWFEESA-N 1 3 210.365 2.251 10 0 BEAEHO C[C@H]1CC[NH+](CC(C)(C)C)CC[C@H](C)N1 ZINC000049667087 177159387 /nfs/dbraw/zinc/15/93/87/177159387.db2.gz DKQMUVPNAURAKK-RYUDHWBXSA-N 1 3 212.381 2.495 10 0 BEAEHO C[C@H]1CCN(Cc2ccc(C[NH3+])cc2F)C1 ZINC000040717023 177164006 /nfs/dbraw/zinc/16/40/06/177164006.db2.gz PSAWXGCSWZGCAU-JTQLQIEISA-N 1 3 222.307 2.126 10 0 BEAEHO C[C@H]1CC[C@@H](N)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000068593077 177191117 /nfs/dbraw/zinc/19/11/17/177191117.db2.gz ULXWOSFIBHNQLH-SGMGOOAPSA-N 1 3 218.344 2.387 10 0 BEAEHO C[C@H]1CC[C@@H](N)[C@H](C)[N@H+]1Cc1ccccc1 ZINC000068593077 177191118 /nfs/dbraw/zinc/19/11/18/177191118.db2.gz ULXWOSFIBHNQLH-SGMGOOAPSA-N 1 3 218.344 2.387 10 0 BEAEHO C[C@H]1C[N@@H+](C2CCCCCC2)CC[C@@H]1N ZINC000049710503 177242808 /nfs/dbraw/zinc/24/28/08/177242808.db2.gz ITVZDERBBYHQQN-AAEUAGOBSA-N 1 3 210.365 2.378 10 0 BEAEHO C[C@H]1C[N@H+](C2CCCCCC2)CC[C@@H]1N ZINC000049710503 177242810 /nfs/dbraw/zinc/24/28/10/177242810.db2.gz ITVZDERBBYHQQN-AAEUAGOBSA-N 1 3 210.365 2.378 10 0 BEAEHO C[C@H]1C[N@@H+]([C@@]2(CN)CCCC[C@@H]2C)[C@@H](C)CO1 ZINC000035783517 177275688 /nfs/dbraw/zinc/27/56/88/177275688.db2.gz ZRCYPUBLUWLPAR-XDQVBPFNSA-N 1 3 240.391 2.003 10 0 BEAEHO C[C@H]1C[N@H+]([C@@]2(CN)CCCC[C@@H]2C)[C@@H](C)CO1 ZINC000035783517 177275690 /nfs/dbraw/zinc/27/56/90/177275690.db2.gz ZRCYPUBLUWLPAR-XDQVBPFNSA-N 1 3 240.391 2.003 10 0 BEAEHO C[C@H](NCCCc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000400349969 226341339 /nfs/dbraw/zinc/34/13/39/226341339.db2.gz JQDXIKDVXFAYKC-ZFWWWQNUSA-N 1 3 232.371 2.207 10 0 BEAEHO C[C@H]([NH2+]CC1(C)CCC1)[C@@H]1CCCNC1 ZINC000667023769 487932369 /nfs/dbraw/zinc/93/23/69/487932369.db2.gz ZRRIZFOWFGTILT-NWDGAFQWSA-N 1 3 210.365 2.154 10 0 BEAEHO C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)[C@@H]1CCCNC1 ZINC000569454013 322966482 /nfs/dbraw/zinc/96/64/82/322966482.db2.gz UMLJXZNJUJYHAH-MQLXINIDSA-N 1 3 222.376 2.153 10 0 BEAEHO CCC(C)(C)C[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000570262393 323054457 /nfs/dbraw/zinc/05/44/57/323054457.db2.gz QHKRNRVBADWGTE-RYUDHWBXSA-N 1 3 212.381 2.400 10 0 BEAEHO C[C@H]([NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1)[C@H]1CCCNC1 ZINC000530207024 323209474 /nfs/dbraw/zinc/20/94/74/323209474.db2.gz CBYNUGFWFDDMGW-QRTUWBSPSA-N 1 3 236.403 2.400 10 0 BEAEHO C1=CC[C@H](CC[NH2+][C@@H]2CCCNCC2)CC1 ZINC000530218257 324536328 /nfs/dbraw/zinc/53/63/28/324536328.db2.gz KYJILYARMYOTIU-UONOGXRCSA-N 1 3 222.376 2.465 10 0 BEAEHO C[C@H]([NH2+]CC1CCSCC1)[C@H]1CCCNC1 ZINC000566908913 326092567 /nfs/dbraw/zinc/09/25/67/326092567.db2.gz GRUXSNXTSQETBN-AAEUAGOBSA-N 1 3 242.432 2.107 10 0 BEAEHO CSCCCC[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000566908979 326092921 /nfs/dbraw/zinc/09/29/21/326092921.db2.gz RSTQICKOBVTMNR-NWDGAFQWSA-N 1 3 230.421 2.107 10 0 BEAEHO C[C@H](Cc1cccs1)[NH2+][C@@H]1CCC[C@@H]1CN ZINC000084219297 488038462 /nfs/dbraw/zinc/03/84/62/488038462.db2.gz XEWVDQRFHJEKEU-NQBHXWOUSA-N 1 3 238.400 2.396 10 0 BEAEHO CC(C)[C@H](C)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000252417608 487824238 /nfs/dbraw/zinc/82/42/38/487824238.db2.gz RVKBRXDCICPMFX-BFHYXJOUSA-N 1 3 224.392 2.495 10 0 BEAEHO [NH3+]C1(CNC[C@@H]2CCCCC2(F)F)CCC1 ZINC000390931023 488184567 /nfs/dbraw/zinc/18/45/67/488184567.db2.gz DKGNBABFWLNWSL-JTQLQIEISA-N 1 3 232.318 2.283 10 0 BEAEHO c1cc(C[NH+]2CCCCC2)c2c(c1)CNCC2 ZINC000131620752 490649385 /nfs/dbraw/zinc/64/93/85/490649385.db2.gz NQZXYOLMZUZXMB-UHFFFAOYSA-N 1 3 230.355 2.318 10 0 BEAEHO C[C@H](C1CC1)[N@H+]1CCC[C@@]12CCCN[C@H]2C ZINC000757132973 582508937 /nfs/dbraw/zinc/50/89/37/582508937.db2.gz SHXNQGQFOJWUPZ-MBNYWOFBSA-N 1 3 222.376 2.391 10 0 BEAEHO C[C@H](NC[C@H]1CCCCC1(F)F)[C@@H]1CC[NH2+]C1 ZINC000400391875 533905362 /nfs/dbraw/zinc/90/53/62/533905362.db2.gz NMOSNFXIAQIZTQ-QJPTWQEYSA-N 1 3 246.345 2.400 10 0 BEAEHO C[C@H](CCc1ccco1)N[C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400521976 534001261 /nfs/dbraw/zinc/00/12/61/534001261.db2.gz OSLUVHFOLVCPKZ-AGIUHOORSA-N 1 3 236.359 2.188 10 0 BEAEHO CC(C)CN1CC[C@@H]([NH2+]C(C)C)[C@H](C)C1 ZINC000252475254 519731175 /nfs/dbraw/zinc/73/11/75/519731175.db2.gz WXYUATKECWZXJE-CHWSQXEVSA-N 1 3 212.381 2.351 10 0 BEAEHO CCCN1CC[C@@H]([NH2+]CC(C)C)C[C@H]1C ZINC000252475292 519861950 /nfs/dbraw/zinc/86/19/50/519861950.db2.gz XQLAIQKDMNUQBO-CHWSQXEVSA-N 1 3 212.381 2.495 10 0 BEAEHO CCCCN1CC[C@H]([NH2+]CCC)[C@@H](C)C1 ZINC000219749852 520595949 /nfs/dbraw/zinc/59/59/49/520595949.db2.gz ULJGBSOQGOMUMG-STQMWFEESA-N 1 3 212.381 2.497 10 0 BEAEHO CCSCC[C@H](C)N[C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400432984 529195553 /nfs/dbraw/zinc/19/55/53/529195553.db2.gz LTCXFXHBGIPDEM-SDDRHHMPSA-N 1 3 230.421 2.106 10 0 BEAEHO CC(C)CN1CC[C@@H]([NH2+]C(C)C)[C@@H](C)C1 ZINC000226859086 535134044 /nfs/dbraw/zinc/13/40/44/535134044.db2.gz WXYUATKECWZXJE-QWHCGFSZSA-N 1 3 212.381 2.351 10 0 BEAEHO CCCC[N@@H+]1CCC[C@]12CCCN[C@H]2C ZINC000757125652 582499973 /nfs/dbraw/zinc/49/99/73/582499973.db2.gz FFKPRNAUGXVDOJ-STQMWFEESA-N 1 3 210.365 2.393 10 0 BEAEHO CCCC[N@H+]1CCC[C@]12CCCN[C@H]2C ZINC000757125652 582499975 /nfs/dbraw/zinc/49/99/75/582499975.db2.gz FFKPRNAUGXVDOJ-STQMWFEESA-N 1 3 210.365 2.393 10 0 BEAEHO CCCCN1CCC[C@]12CCC[NH2+][C@H]2C ZINC000757125652 582499977 /nfs/dbraw/zinc/49/99/77/582499977.db2.gz FFKPRNAUGXVDOJ-STQMWFEESA-N 1 3 210.365 2.393 10 0 BEAEHO C[C@H](C1CC1)[N@@H+]1CCC[C@@]12CCCN[C@H]2C ZINC000757132973 582508934 /nfs/dbraw/zinc/50/89/34/582508934.db2.gz SHXNQGQFOJWUPZ-MBNYWOFBSA-N 1 3 222.376 2.391 10 0 BEAEHO CC[C@H](C)[N@@H+]1CCC[C@]12CCCN[C@@H]2C ZINC000757133860 582510700 /nfs/dbraw/zinc/51/07/00/582510700.db2.gz VJGNNYWCYIUNKB-XQQFMLRXSA-N 1 3 210.365 2.391 10 0 BEAEHO CC[C@H](C)[N@H+]1CCC[C@]12CCCN[C@@H]2C ZINC000757133860 582510701 /nfs/dbraw/zinc/51/07/01/582510701.db2.gz VJGNNYWCYIUNKB-XQQFMLRXSA-N 1 3 210.365 2.391 10 0 BEAEHO CC[C@H](C)N1CCC[C@]12CCC[NH2+][C@@H]2C ZINC000757133860 582510702 /nfs/dbraw/zinc/51/07/02/582510702.db2.gz VJGNNYWCYIUNKB-XQQFMLRXSA-N 1 3 210.365 2.391 10 0 BEAEHO CC(C)[C@H](C)[N@@H+]1CCC[C@@]12CNC[C@@H](C)C2 ZINC000757135001 582514063 /nfs/dbraw/zinc/51/40/63/582514063.db2.gz XTUUDHBNECBTHM-MELADBBJSA-N 1 3 224.392 2.495 10 0 BEAEHO CC(C)[C@H](C)[N@H+]1CCC[C@@]12CNC[C@@H](C)C2 ZINC000757135001 582514064 /nfs/dbraw/zinc/51/40/64/582514064.db2.gz XTUUDHBNECBTHM-MELADBBJSA-N 1 3 224.392 2.495 10 0 BEAEHO CC(C)[C@H](C)N1CCC[C@@]12C[NH2+]C[C@@H](C)C2 ZINC000757135001 582514065 /nfs/dbraw/zinc/51/40/65/582514065.db2.gz XTUUDHBNECBTHM-MELADBBJSA-N 1 3 224.392 2.495 10 0 BEAEHO CCN1CCC2(CC1)[NH2+]CC(C)(C)C(C)(C)O2 ZINC000757147751 582531230 /nfs/dbraw/zinc/53/12/30/582531230.db2.gz STEAVZIZIDABIR-UHFFFAOYSA-N 1 3 240.391 2.223 10 0 BEAEHO C[C@@H]1C[C@H](C)[C@@H](C[NH3+])[C@H](c2cccs2)N1 ZINC000757217113 582561927 /nfs/dbraw/zinc/56/19/27/582561927.db2.gz RFQVOEIUGANPQQ-BTQIBKBOSA-N 1 3 224.373 2.382 10 0 BEAEHO C[C@H](C1CC1)[N@@H+]1CCC[C@]12CC[C@@H](C)NC2 ZINC000757126381 586425919 /nfs/dbraw/zinc/42/59/19/586425919.db2.gz FLJVLYOOVHKRJL-YRGRVCCFSA-N 1 3 222.376 2.391 10 0 BEAEHO C[C@H](C1CC1)[N@H+]1CCC[C@]12CC[C@@H](C)NC2 ZINC000757126381 586425920 /nfs/dbraw/zinc/42/59/20/586425920.db2.gz FLJVLYOOVHKRJL-YRGRVCCFSA-N 1 3 222.376 2.391 10 0 BEAEHO C[C@H](C1CC1)N1CCC[C@]12CC[C@@H](C)[NH2+]C2 ZINC000757126381 586425921 /nfs/dbraw/zinc/42/59/21/586425921.db2.gz FLJVLYOOVHKRJL-YRGRVCCFSA-N 1 3 222.376 2.391 10 0 BEAEHO CC1(c2ccc([C@H]3CNCC[C@H]3[NH3+])cc2)CC1 ZINC000757211810 586439005 /nfs/dbraw/zinc/43/90/05/586439005.db2.gz IUGJZYGCLDZVDV-ZIAGYGMSSA-N 1 3 230.355 2.142 10 0 BEAEHO CC1(c2ccc([C@H]3C[NH2+]CC[C@H]3N)cc2)CC1 ZINC000757211810 586439007 /nfs/dbraw/zinc/43/90/07/586439007.db2.gz IUGJZYGCLDZVDV-ZIAGYGMSSA-N 1 3 230.355 2.142 10 0 BEAEHO C[C@@H]1C[C@H](N)C[NH2+][C@H]1c1cccc2cc[nH]c21 ZINC000757218281 586441658 /nfs/dbraw/zinc/44/16/58/586441658.db2.gz UVPNDTQWTUYJTK-SUZMYJTESA-N 1 3 229.327 2.166 10 0 BEAEHO C[C@@H]1[NH2+][C@@H](c2cccc3cc[nH]c32)CC[C@@H]1N ZINC000757218274 586441850 /nfs/dbraw/zinc/44/18/50/586441850.db2.gz UUIAZCQENYZUNX-TVYUQYBPSA-N 1 3 229.327 2.308 10 0 BEAEHO [NH3+]C[C@H]1CC[C@@H](c2cccc3cc[nH]c32)NC1 ZINC000757220402 586442151 /nfs/dbraw/zinc/44/21/51/586442151.db2.gz YYVNISUQRPKWES-MFKMUULPSA-N 1 3 229.327 2.167 10 0 BEAEHO C[C@@H]([NH3+])CN(C)c1ccnc2ccccc21 ZINC000082592561 643350537 /nfs/dbraw/zinc/35/05/37/643350537.db2.gz JDJBKWCFURURBE-SNVBAGLBSA-N 1 3 215.300 2.018 10 0 BEAEHO C/C(=C/c1ccccc1)CN1CC[C@H](C[NH3+])C1 ZINC000096859309 644843534 /nfs/dbraw/zinc/84/35/34/644843534.db2.gz VCZQLEOXZXJBCG-UZGISAJGSA-N 1 3 230.355 2.371 10 0 BEAEHO C1=CCC[C@@H](C[NH2+][C@@H]2CCNC2)CCC1 ZINC000719107981 712797354 /nfs/dbraw/zinc/79/73/54/712797354.db2.gz ZFGXYEBPCHVXOQ-CHWSQXEVSA-N 1 3 208.349 2.074 10 0 BEAEHO CC(C)[C@H](C)[N@@H+]1CC[C@]2(C1)CCCNC2 ZINC000709867368 712230065 /nfs/dbraw/zinc/23/00/65/712230065.db2.gz JCTKZZCBSQGKTR-QWHCGFSZSA-N 1 3 210.365 2.106 10 0 BEAEHO CC(C)[C@H](C)[N@H+]1CC[C@]2(C1)CCCNC2 ZINC000709867368 712230068 /nfs/dbraw/zinc/23/00/68/712230068.db2.gz JCTKZZCBSQGKTR-QWHCGFSZSA-N 1 3 210.365 2.106 10 0 BEAEHO c1ccc(CCN[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000036996535 712528912 /nfs/dbraw/zinc/52/89/12/712528912.db2.gz QBSGTAUPVKFANE-JKSUJKDBSA-N 1 3 244.382 2.446 10 0 BEAEHO c1ccc(CCN[C@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000036996535 712528913 /nfs/dbraw/zinc/52/89/13/712528913.db2.gz QBSGTAUPVKFANE-JKSUJKDBSA-N 1 3 244.382 2.446 10 0 BEAEHO CC[C@H](NCCC[NH3+])c1ccc2c(c1)CCO2 ZINC000037713839 712749812 /nfs/dbraw/zinc/74/98/12/712749812.db2.gz WEWAKAVXYJVGAE-ZDUSSCGKSA-N 1 3 234.343 2.011 10 0 BEAEHO CCN1CC[C@@H]([NH3+])C12CCC(C)(C)CC2 ZINC000685955100 538900240 /nfs/dbraw/zinc/90/02/40/538900240.db2.gz SXJKNXOBSAGZPL-LLVKDONJSA-N 1 3 210.365 2.378 10 0 BEAEHO CCC(CC)N(CCOC)C[C@@H]([NH3+])C(C)(C)C ZINC000042616077 168373959 /nfs/dbraw/zinc/37/39/59/168373959.db2.gz HCHZCUZTRIBRTR-CYBMUJFWSA-N 1 3 244.423 2.497 10 0 BEAEHO N[C@@]12C[N@H+](Cc3ccccc3)C[C@@H]1CCCC2 ZINC000138218804 342800974 /nfs/dbraw/zinc/80/09/74/342800974.db2.gz YSRKXDRZBDXBAH-GJZGRUSLSA-N 1 3 230.355 2.390 10 0 BEAEHO N[C@@]12C[N@@H+](Cc3ccccc3)C[C@@H]1CCCC2 ZINC000138218804 342800976 /nfs/dbraw/zinc/80/09/76/342800976.db2.gz YSRKXDRZBDXBAH-GJZGRUSLSA-N 1 3 230.355 2.390 10 0 BEAEHO CC[C@H](C)CN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037916564 398335269 /nfs/dbraw/zinc/33/52/69/398335269.db2.gz SUSIWNCPSNUWKN-IHRRRGAJSA-N 1 3 224.392 2.497 10 0 BEAEHO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CCCN ZINC000037713125 342966805 /nfs/dbraw/zinc/96/68/05/342966805.db2.gz VKULFCBPUSIAEE-FRRDWIJNSA-N 1 3 212.381 2.386 10 0 BEAEHO CC(C)N1CCc2ccccc2[C@H]1CC[NH3+] ZINC000616678185 343535916 /nfs/dbraw/zinc/53/59/16/343535916.db2.gz GIOYSSNYRSUWTG-CQSZACIVSA-N 1 3 218.344 2.343 10 0 BEAEHO FC1(F)CCC[C@@H]2C[N@@H+](C3CCNCC3)C[C@@H]21 ZINC000409431490 343823325 /nfs/dbraw/zinc/82/33/25/343823325.db2.gz SMLZHNROBGCDGV-PWSUYJOCSA-N 1 3 244.329 2.106 10 0 BEAEHO FC1(F)CCC[C@@H]2C[N@H+](C3CCNCC3)C[C@@H]21 ZINC000409431490 343823327 /nfs/dbraw/zinc/82/33/27/343823327.db2.gz SMLZHNROBGCDGV-PWSUYJOCSA-N 1 3 244.329 2.106 10 0 BEAEHO CC(F)(F)[C@H]1CCC[N@@H+](C2CCNCC2)C1 ZINC000409433742 343830167 /nfs/dbraw/zinc/83/01/67/343830167.db2.gz ZCLVLDDEXOKHAG-JTQLQIEISA-N 1 3 232.318 2.106 10 0 BEAEHO CC(F)(F)[C@H]1CCC[N@H+](C2CCNCC2)C1 ZINC000409433742 343830169 /nfs/dbraw/zinc/83/01/69/343830169.db2.gz ZCLVLDDEXOKHAG-JTQLQIEISA-N 1 3 232.318 2.106 10 0 BEAEHO C[C@H]1C[N@H+](C[C@H]2CCC[C@@H](C)C2)C[C@@H]1CN ZINC000634999734 345199961 /nfs/dbraw/zinc/19/99/61/345199961.db2.gz YKJLQUOWKUPZSJ-RFGFWPKPSA-N 1 3 224.392 2.339 10 0 BEAEHO C[C@H]1C[N@@H+](C[C@H]2CCC[C@@H](C)C2)C[C@@H]1CN ZINC000634999734 345199964 /nfs/dbraw/zinc/19/99/64/345199964.db2.gz YKJLQUOWKUPZSJ-RFGFWPKPSA-N 1 3 224.392 2.339 10 0 BEAEHO Cc1cc(F)ccc1CN1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000634999667 345200649 /nfs/dbraw/zinc/20/06/49/345200649.db2.gz XOCUEKZOXISMEW-YPMHNXCESA-N 1 3 236.334 2.161 10 0 BEAEHO C[C@@H]1C[N@H+](C[C@H]2CCC[C@@H](C)C2)C[C@@H]1CN ZINC000634999733 345200673 /nfs/dbraw/zinc/20/06/73/345200673.db2.gz YKJLQUOWKUPZSJ-MQYQWHSLSA-N 1 3 224.392 2.339 10 0 BEAEHO C[C@@H]1C[N@@H+](C[C@H]2CCC[C@@H](C)C2)C[C@@H]1CN ZINC000634999733 345200675 /nfs/dbraw/zinc/20/06/75/345200675.db2.gz YKJLQUOWKUPZSJ-MQYQWHSLSA-N 1 3 224.392 2.339 10 0 BEAEHO C[C@H](Cc1ccsc1)N[C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400749612 345733238 /nfs/dbraw/zinc/73/32/38/345733238.db2.gz VFRKUTGRAISOEM-NQBHXWOUSA-N 1 3 238.400 2.267 10 0 BEAEHO C[C@@H](C[NH3+])CN1CCC(c2ccccc2)CC1 ZINC000034506352 345829666 /nfs/dbraw/zinc/82/96/66/345829666.db2.gz ZPZAQKWMPMTCMV-ZDUSSCGKSA-N 1 3 232.371 2.461 10 0 BEAEHO C[C@@H](CN)C[NH+]1CCC(c2ccccc2)CC1 ZINC000034506352 345829667 /nfs/dbraw/zinc/82/96/67/345829667.db2.gz ZPZAQKWMPMTCMV-ZDUSSCGKSA-N 1 3 232.371 2.461 10 0 BEAEHO CC(C)[NH+](C[C@H]1CCCCNC1)C(C)C ZINC000669378407 537966649 /nfs/dbraw/zinc/96/66/49/537966649.db2.gz DDCXPVUVWXCUJW-ZDUSSCGKSA-N 1 3 212.381 2.495 10 0 BEAEHO CCOC[C@H]([NH2+][C@H](C)[C@H]1CCCNC1)C(C)C ZINC000580062451 346502738 /nfs/dbraw/zinc/50/27/38/346502738.db2.gz CQUFMFBGGYNHGG-RDBSUJKOSA-N 1 3 242.407 2.025 10 0 BEAEHO CCOC[C@H](N[C@H](C)[C@H]1CCC[NH2+]C1)C(C)C ZINC000580062451 346502740 /nfs/dbraw/zinc/50/27/40/346502740.db2.gz CQUFMFBGGYNHGG-RDBSUJKOSA-N 1 3 242.407 2.025 10 0 BEAEHO CC[C@H](NCCC[NH3+])c1ccc(OC)cc1 ZINC000037713322 346706170 /nfs/dbraw/zinc/70/61/70/346706170.db2.gz MUIPBFOQVHYMAW-ZDUSSCGKSA-N 1 3 222.332 2.085 10 0 BEAEHO Cc1cccc(OC[C@H](CC[NH3+])N2CCCC2)c1 ZINC000020401966 179171595 /nfs/dbraw/zinc/17/15/95/179171595.db2.gz WKGJDCAIBFWEDU-AWEZNQCLSA-N 1 3 248.370 2.187 10 0 BEAEHO CCN1CC[C@@H](C[NH3+])[C@H]1c1ccsc1 ZINC000250321183 362799354 /nfs/dbraw/zinc/79/93/54/362799354.db2.gz NELRLMCURWMTCL-ONGXEEELSA-N 1 3 210.346 2.090 10 0 BEAEHO Cc1ccccc1[C@@H](C)[N@@H+]1CC[C@H](CN)C1 ZINC000049526092 179318692 /nfs/dbraw/zinc/31/86/92/179318692.db2.gz AOFCKLMJEGXDGQ-CHWSQXEVSA-N 1 3 218.344 2.337 10 0 BEAEHO Cc1ccccc1[C@@H](C)[N@H+]1CC[C@H](CN)C1 ZINC000049526092 179318696 /nfs/dbraw/zinc/31/86/96/179318696.db2.gz AOFCKLMJEGXDGQ-CHWSQXEVSA-N 1 3 218.344 2.337 10 0 BEAEHO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000563804510 323178387 /nfs/dbraw/zinc/17/83/87/323178387.db2.gz SKBBQGMGLYCSOD-RNJOBUHISA-N 1 3 210.365 2.153 10 0 BEAEHO CCSC1(C[NH2+][C@@H](C)[C@@H]2CCCNC2)CC1 ZINC000596653573 348606673 /nfs/dbraw/zinc/60/66/73/348606673.db2.gz VOSXRSJQASIYTD-NWDGAFQWSA-N 1 3 242.432 2.250 10 0 BEAEHO C[C@@H](NCCC[NH3+])c1cccc(Cl)c1 ZINC000037713371 190981548 /nfs/dbraw/zinc/98/15/48/190981548.db2.gz FZZQNTWVPOLSCV-SECBINFHSA-N 1 3 212.724 2.339 10 0 BEAEHO c1ccc2c(c1)CN(C[C@H]1CCC[NH2+]C1)C=N2 ZINC000095080081 191053840 /nfs/dbraw/zinc/05/38/40/191053840.db2.gz DRPDMFVVCRODTA-LBPRGKRZSA-N 1 3 229.327 2.162 10 0 BEAEHO C[C@@H](Cc1ccccc1)[N@@H+]1CCC[C@H](CN)C1 ZINC000062179947 350224320 /nfs/dbraw/zinc/22/43/20/350224320.db2.gz FTIJVWUYXLEMTG-DZGCQCFKSA-N 1 3 232.371 2.288 10 0 BEAEHO C[C@@H](Cc1ccccc1)[N@H+]1CCC[C@H](CN)C1 ZINC000062179947 350224322 /nfs/dbraw/zinc/22/43/22/350224322.db2.gz FTIJVWUYXLEMTG-DZGCQCFKSA-N 1 3 232.371 2.288 10 0 BEAEHO C[C@@H](Cc1ccccc1)N1CCC[C@H](C[NH3+])C1 ZINC000062179947 350224326 /nfs/dbraw/zinc/22/43/26/350224326.db2.gz FTIJVWUYXLEMTG-DZGCQCFKSA-N 1 3 232.371 2.288 10 0 BEAEHO CC(C)CN(C[C@]1(C)CC[NH2+]C1)C1CC1 ZINC000062911929 350562782 /nfs/dbraw/zinc/56/27/82/350562782.db2.gz GGVUQWWZOPBDOX-CYBMUJFWSA-N 1 3 210.365 2.106 10 0 BEAEHO c1ccc2c(c1)CN(CC1CC[NH2+]CC1)C=N2 ZINC000095079870 188145156 /nfs/dbraw/zinc/14/51/56/188145156.db2.gz TZCJGFYYUOZSLW-UHFFFAOYSA-N 1 3 229.327 2.162 10 0 BEAEHO C[NH2+]Cc1ccc(CN2CCCC2)s1 ZINC000016942897 188170722 /nfs/dbraw/zinc/17/07/22/188170722.db2.gz DTABUMAGMQGURV-UHFFFAOYSA-N 1 3 210.346 2.063 10 0 BEAEHO CC(C)[C@H](C)C[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000577946802 366126466 /nfs/dbraw/zinc/12/64/66/366126466.db2.gz SZKYAEAMMQCVBG-AGIUHOORSA-N 1 3 212.381 2.256 10 0 BEAEHO C(NC1CC1)[C@@H]1C[NH2+]C[C@@H]1C1CCCCC1 ZINC000675051644 538474677 /nfs/dbraw/zinc/47/46/77/538474677.db2.gz WEMYRRVHYCEVBU-GXTWGEPZSA-N 1 3 222.376 2.154 10 0 BEAEHO C[C@H]1CC[NH2+]C[C@@H]1Nc1ccnc2ccccc21 ZINC000389740510 357023703 /nfs/dbraw/zinc/02/37/03/357023703.db2.gz YPTPNZDJIVLBDT-NHYWBVRUSA-N 1 3 241.338 2.067 10 0 BEAEHO CCSCC[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000583687499 357119955 /nfs/dbraw/zinc/11/99/55/357119955.db2.gz ICQYNDGHBDGNOV-RWMBFGLXSA-N 1 3 244.448 2.496 10 0 BEAEHO CCSCC[C@H](C)[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000583687500 357120241 /nfs/dbraw/zinc/12/02/41/357120241.db2.gz ICQYNDGHBDGNOV-XQQFMLRXSA-N 1 3 244.448 2.496 10 0 BEAEHO C[C@H]([NH2+]C[C@H]1CCC[C@H]1C)[C@H]1CCCNC1 ZINC000583018740 357449988 /nfs/dbraw/zinc/44/99/88/357449988.db2.gz MUQZJNWSWYYFQJ-RQJABVFESA-N 1 3 224.392 2.400 10 0 BEAEHO C[C@@H]([NH3+])CCNc1ccnc2ccccc21 ZINC000063171421 357552901 /nfs/dbraw/zinc/55/29/01/357552901.db2.gz IQZCDSGBHSEGDS-SNVBAGLBSA-N 1 3 215.300 2.384 10 0 BEAEHO C[C@@H]1CNC[C@H](C)[C@H]1[NH+]1CCC(C)(C)CC1 ZINC000685950804 538894273 /nfs/dbraw/zinc/89/42/73/538894273.db2.gz DJSOQFFOTXNLLN-ITGUQSILSA-N 1 3 224.392 2.352 10 0 BEAEHO CC[C@@H]1CC[C@H](C)[N@@H+]1C1[C@H](C)CNC[C@H]1C ZINC000685951077 538894287 /nfs/dbraw/zinc/89/42/87/538894287.db2.gz MMZRJMSZIHTYQP-FVCCEPFGSA-N 1 3 224.392 2.493 10 0 BEAEHO CC[C@@H]1CC[C@H](C)[N@H+]1C1[C@H](C)CNC[C@H]1C ZINC000685951077 538894289 /nfs/dbraw/zinc/89/42/89/538894289.db2.gz MMZRJMSZIHTYQP-FVCCEPFGSA-N 1 3 224.392 2.493 10 0 BEAEHO CC(C)[NH+](C(C)C)C1[C@@H](C)CNC[C@@H]1C ZINC000685951104 538894438 /nfs/dbraw/zinc/89/44/38/538894438.db2.gz NASCSBQSQORPJN-RYUDHWBXSA-N 1 3 212.381 2.349 10 0 BEAEHO CCCC[N@H+](CC)C1[C@@H](C)CNC[C@@H]1C ZINC000685950909 538894596 /nfs/dbraw/zinc/89/45/96/538894596.db2.gz HRYQCAYBSJOKAP-RYUDHWBXSA-N 1 3 212.381 2.352 10 0 BEAEHO CCCC[N@@H+](CC)C1[C@@H](C)CNC[C@@H]1C ZINC000685950909 538894598 /nfs/dbraw/zinc/89/45/98/538894598.db2.gz HRYQCAYBSJOKAP-RYUDHWBXSA-N 1 3 212.381 2.352 10 0 BEAEHO C[C@@H]1CCC[N@@H+]([C@H]2[C@H](C)CNC[C@@H]2C)[C@@H]1C ZINC000685951780 538895123 /nfs/dbraw/zinc/89/51/23/538895123.db2.gz YBEXMWBJOJKQSU-RGDJUOJXSA-N 1 3 224.392 2.351 10 0 BEAEHO C[C@@H]1CCC[N@H+]([C@H]2[C@H](C)CNC[C@@H]2C)[C@@H]1C ZINC000685951780 538895124 /nfs/dbraw/zinc/89/51/24/538895124.db2.gz YBEXMWBJOJKQSU-RGDJUOJXSA-N 1 3 224.392 2.351 10 0 BEAEHO C[C@H]([NH2+][C@H]1CC12CCCC2)[C@H]1CCCNC1 ZINC000584774176 358174832 /nfs/dbraw/zinc/17/48/32/358174832.db2.gz BOCWYSCPWRQOHD-AVGNSLFASA-N 1 3 222.376 2.297 10 0 BEAEHO C[C@H](N[C@H]1CC12CCCC2)[C@H]1CCC[NH2+]C1 ZINC000584774176 358174836 /nfs/dbraw/zinc/17/48/36/358174836.db2.gz BOCWYSCPWRQOHD-AVGNSLFASA-N 1 3 222.376 2.297 10 0 BEAEHO C[C@H]([NH2+][C@@H]1CC12CCCC2)[C@@H]1CCCNC1 ZINC000584774182 358174895 /nfs/dbraw/zinc/17/48/95/358174895.db2.gz BOCWYSCPWRQOHD-YNEHKIRRSA-N 1 3 222.376 2.297 10 0 BEAEHO C[C@H](N[C@@H]1CC12CCCC2)[C@@H]1CCC[NH2+]C1 ZINC000584774182 358174898 /nfs/dbraw/zinc/17/48/98/358174898.db2.gz BOCWYSCPWRQOHD-YNEHKIRRSA-N 1 3 222.376 2.297 10 0 BEAEHO CN(CCC[NH3+])c1ccnc2ccccc21 ZINC000041719993 358334391 /nfs/dbraw/zinc/33/43/91/358334391.db2.gz ATFLGOJGDMFCNE-UHFFFAOYSA-N 1 3 215.300 2.020 10 0 BEAEHO CN1CCC[C@H]2C[N@H+](CC(C)(C)C)CC[C@@H]21 ZINC000246445194 359089999 /nfs/dbraw/zinc/08/99/99/359089999.db2.gz NMUUSSWUGRSSTO-STQMWFEESA-N 1 3 224.392 2.449 10 0 BEAEHO CN1CCC[C@H]2C[N@@H+](CC(C)(C)C)CC[C@@H]21 ZINC000246445194 359090000 /nfs/dbraw/zinc/09/00/00/359090000.db2.gz NMUUSSWUGRSSTO-STQMWFEESA-N 1 3 224.392 2.449 10 0 BEAEHO COCCC(C)(C)C[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000578738378 366634383 /nfs/dbraw/zinc/63/43/83/366634383.db2.gz OULGVVMDYGVDLW-CHWSQXEVSA-N 1 3 242.407 2.027 10 0 BEAEHO COCCC(C)(C)C[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000578738379 366635123 /nfs/dbraw/zinc/63/51/23/366635123.db2.gz OULGVVMDYGVDLW-OLZOCXBDSA-N 1 3 242.407 2.027 10 0 BEAEHO CCC[C@H](CN[C@H](C)[C@@H]1CCC[NH2+]C1)OCC ZINC000629515049 361112903 /nfs/dbraw/zinc/11/29/03/361112903.db2.gz PUXIVXGGIWHSRQ-MGPQQGTHSA-N 1 3 242.407 2.169 10 0 BEAEHO C[C@@H]([NH2+]CC1CC(C)C1)[C@@H]1CCCNC1 ZINC000622044515 370677297 /nfs/dbraw/zinc/67/72/97/370677297.db2.gz IWBTWSACQVMNDR-POOIEITISA-N 1 3 210.365 2.010 10 0 BEAEHO CO[C@@H]1CN(C[C@H](C)CC(C)C)[C@](C)(C[NH3+])C1 ZINC000630370017 364087075 /nfs/dbraw/zinc/08/70/75/364087075.db2.gz YJAYDCHHHZHORS-RDBSUJKOSA-N 1 3 242.407 2.107 10 0 BEAEHO C[C@H]1CC[C@@H](Nc2ccnc3ccccc32)C[NH2+]1 ZINC000630535739 364231051 /nfs/dbraw/zinc/23/10/51/364231051.db2.gz ZMLXRFOZTCIYBW-NWDGAFQWSA-N 1 3 241.338 2.209 10 0 BEAEHO CC[C@@H]1C[C@H]1C[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000573830848 364927264 /nfs/dbraw/zinc/92/72/64/364927264.db2.gz MUHIGRQFCISIOV-NDBYEHHHSA-N 1 3 210.365 2.010 10 0 BEAEHO [NH3+]CCCN(Cc1ccncc1)C1CCCC1 ZINC000034960484 181379625 /nfs/dbraw/zinc/37/96/25/181379625.db2.gz XOWBCNMTBNLYMS-UHFFFAOYSA-N 1 3 233.359 2.175 10 0 BEAEHO [NH3+]CCCN[C@@H]1CCCc2ccccc21 ZINC000037713433 181383309 /nfs/dbraw/zinc/38/33/09/181383309.db2.gz YINKCIYYJCUMQI-CYBMUJFWSA-N 1 3 204.317 2.002 10 0 BEAEHO C[C@@H]1C[C@H]([N@H+]2[C@H](C)CCC[C@@H]2C)CCN1 ZINC000675056246 541462440 /nfs/dbraw/zinc/46/24/40/541462440.db2.gz NBIOJMORQJJEIV-FVCCEPFGSA-N 1 3 210.365 2.390 10 0 BEAEHO C[C@@H]1C[C@H]([N@@H+]2[C@H](C)CCC[C@@H]2C)CCN1 ZINC000675056246 541462445 /nfs/dbraw/zinc/46/24/45/541462445.db2.gz NBIOJMORQJJEIV-FVCCEPFGSA-N 1 3 210.365 2.390 10 0 BEAEHO C[C@@H]([NH2+]CCCC(C)(F)F)[C@@H]1CCCNC1 ZINC000581364058 367394023 /nfs/dbraw/zinc/39/40/23/367394023.db2.gz PGKAJYMAMRCLAA-GHMZBOCLSA-N 1 3 234.334 2.400 10 0 BEAEHO C[C@H]([NH2+]CCCC(C)(F)F)[C@@H]1CCCNC1 ZINC000581364061 367394126 /nfs/dbraw/zinc/39/41/26/367394126.db2.gz PGKAJYMAMRCLAA-WDEREUQCSA-N 1 3 234.334 2.400 10 0 BEAEHO [NH3+][C@@H]1CCOc2c(CN3CCCCC3)cccc21 ZINC000168847549 368352287 /nfs/dbraw/zinc/35/22/87/368352287.db2.gz AZXFGXXDRMGEFB-CQSZACIVSA-N 1 3 246.354 2.455 10 0 BEAEHO CCc1ccc(CN2C[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000631837390 369094106 /nfs/dbraw/zinc/09/41/06/369094106.db2.gz RZXVYIYBLMLVIM-DOMZBBRYSA-N 1 3 232.371 2.276 10 0 BEAEHO CCc1ccc(C[N@@H+]2C[C@@H](C)[C@@H](CN)C2)cc1 ZINC000631837390 369094109 /nfs/dbraw/zinc/09/41/09/369094109.db2.gz RZXVYIYBLMLVIM-DOMZBBRYSA-N 1 3 232.371 2.276 10 0 BEAEHO CCc1ccc(C[N@H+]2C[C@@H](C)[C@@H](CN)C2)cc1 ZINC000631837390 369094112 /nfs/dbraw/zinc/09/41/12/369094112.db2.gz RZXVYIYBLMLVIM-DOMZBBRYSA-N 1 3 232.371 2.276 10 0 BEAEHO C[C@H]1CN(Cc2cc3ccccc3o2)C[C@@H]1C[NH3+] ZINC000631838115 369116912 /nfs/dbraw/zinc/11/69/12/369116912.db2.gz JCFAJTAOGPHUTK-AAEUAGOBSA-N 1 3 244.338 2.459 10 0 BEAEHO C[C@H](C[N@@H+]1C[C@@H](C)[C@@H](CN)C1)C(C)(C)C ZINC000631837060 372627738 /nfs/dbraw/zinc/62/77/38/372627738.db2.gz MJDFPDORDOBHLL-UTUOFQBUSA-N 1 3 212.381 2.195 10 0 BEAEHO C[C@H](C[N@H+]1C[C@@H](C)[C@@H](CN)C1)C(C)(C)C ZINC000631837060 372627739 /nfs/dbraw/zinc/62/77/39/372627739.db2.gz MJDFPDORDOBHLL-UTUOFQBUSA-N 1 3 212.381 2.195 10 0 BEAEHO C[C@H]1C[N@H+](CCC2CCCC2)C[C@@H]1CN ZINC000631839946 372636858 /nfs/dbraw/zinc/63/68/58/372636858.db2.gz NEVFXQZDWVQKFL-AAEUAGOBSA-N 1 3 210.365 2.093 10 0 BEAEHO C[C@H]1C[N@@H+](CCC2CCCC2)C[C@@H]1CN ZINC000631839946 372636862 /nfs/dbraw/zinc/63/68/62/372636862.db2.gz NEVFXQZDWVQKFL-AAEUAGOBSA-N 1 3 210.365 2.093 10 0 BEAEHO C[C@@H](c1cccc(F)c1)N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631839370 372637035 /nfs/dbraw/zinc/63/70/35/372637035.db2.gz FPLXSOGBFIQVLW-MDZLAQPJSA-N 1 3 236.334 2.413 10 0 BEAEHO CCN1CC[C@@H](C[NH3+])[C@@H]1c1cccs1 ZINC000069797047 373807772 /nfs/dbraw/zinc/80/77/72/373807772.db2.gz QLFKYTPQXNLPEE-GXSJLCMTSA-N 1 3 210.346 2.090 10 0 BEAEHO CCCC[C@H](CN)[N@H+](CCN(C)C)CC(C)C ZINC000042744474 169002305 /nfs/dbraw/zinc/00/23/05/169002305.db2.gz LCCDZUNZSIWGOF-CQSZACIVSA-N 1 3 243.439 2.024 10 0 BEAEHO CCCC[C@H](CN)[N@@H+](CCN(C)C)CC(C)C ZINC000042744474 169002307 /nfs/dbraw/zinc/00/23/07/169002307.db2.gz LCCDZUNZSIWGOF-CQSZACIVSA-N 1 3 243.439 2.024 10 0 BEAEHO CCCN1CC[C@@H]([NH2+]CC(C)C)C[C@@H]1C ZINC000073655950 169206282 /nfs/dbraw/zinc/20/62/82/169206282.db2.gz XQLAIQKDMNUQBO-QWHCGFSZSA-N 1 3 212.381 2.495 10 0 BEAEHO CCC[NH2+]CC(C)(C)CN(CC)[C@H](C)COC ZINC000051250777 169256218 /nfs/dbraw/zinc/25/62/18/169256218.db2.gz QRFJRFRCWSBUND-CYBMUJFWSA-N 1 3 244.423 2.369 10 0 BEAEHO CCC[NH2+]C[C@@]1(CN(CC)CCC)CCOC1 ZINC000051214832 169263752 /nfs/dbraw/zinc/26/37/52/169263752.db2.gz DIWSFSVCKPBSLN-CQSZACIVSA-N 1 3 242.407 2.125 10 0 BEAEHO c1ccc(CC[NH2+]CCCN2CCCC2)cc1 ZINC000020128955 183392776 /nfs/dbraw/zinc/39/27/76/183392776.db2.gz MFGYWSRWGKATCK-UHFFFAOYSA-N 1 3 232.371 2.305 10 0 BEAEHO c1ccc(CCNCCC[NH+]2CCCC2)cc1 ZINC000020128955 183392778 /nfs/dbraw/zinc/39/27/78/183392778.db2.gz MFGYWSRWGKATCK-UHFFFAOYSA-N 1 3 232.371 2.305 10 0 BEAEHO c1ccc(CN2CCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000082346762 183399622 /nfs/dbraw/zinc/39/96/22/183399622.db2.gz AIXYZOFSNKRARQ-CABCVRRESA-N 1 3 230.355 2.261 10 0 BEAEHO CCCCN1CC[C@@H]([NH2+]C2CC2)[C@@H](C)C1 ZINC000226858732 134370257 /nfs/dbraw/zinc/37/02/57/134370257.db2.gz VFTKUGRNJDBQKJ-WCQYABFASA-N 1 3 210.365 2.249 10 0 BEAEHO CCCC[N@@H+]1CC[C@@H](NC2CC2)[C@@H](C)C1 ZINC000226858732 134370258 /nfs/dbraw/zinc/37/02/58/134370258.db2.gz VFTKUGRNJDBQKJ-WCQYABFASA-N 1 3 210.365 2.249 10 0 BEAEHO CCCC[N@H+]1CC[C@@H](NC2CC2)[C@@H](C)C1 ZINC000226858732 134370259 /nfs/dbraw/zinc/37/02/59/134370259.db2.gz VFTKUGRNJDBQKJ-WCQYABFASA-N 1 3 210.365 2.249 10 0 BEAEHO NC[C@@H](Cc1ccc(F)cc1)[C@@H]1CCCC[NH2+]1 ZINC000068591152 384002535 /nfs/dbraw/zinc/00/25/35/384002535.db2.gz OCTFQZCEZPAXSY-OCCSQVGLSA-N 1 3 236.334 2.085 10 0 BEAEHO [NH3+]C[C@@H](Cc1ccc(F)cc1)[C@@H]1CCCCN1 ZINC000068591152 384002541 /nfs/dbraw/zinc/00/25/41/384002541.db2.gz OCTFQZCEZPAXSY-OCCSQVGLSA-N 1 3 236.334 2.085 10 0 BEAEHO CS[C@@H]1CCCC[N@H+](C[C@@H]2CCCNC2)C1 ZINC000336460623 383951472 /nfs/dbraw/zinc/95/14/72/383951472.db2.gz OMKRDNQHACRNCX-CHWSQXEVSA-N 1 3 242.432 2.204 10 0 BEAEHO CS[C@@H]1CCCC[N@@H+](C[C@@H]2CCCNC2)C1 ZINC000336460623 383951479 /nfs/dbraw/zinc/95/14/79/383951479.db2.gz OMKRDNQHACRNCX-CHWSQXEVSA-N 1 3 242.432 2.204 10 0 BEAEHO C[N@H+](C[C@H]1CCC(F)(F)C1)[C@@H]1CCCNCC1 ZINC000302315796 384141426 /nfs/dbraw/zinc/14/14/26/384141426.db2.gz BSXGTXXWHUMIPC-NWDGAFQWSA-N 1 3 246.345 2.496 10 0 BEAEHO C[N@@H+](C[C@H]1CCC(F)(F)C1)[C@@H]1CCCNCC1 ZINC000302315796 384141429 /nfs/dbraw/zinc/14/14/29/384141429.db2.gz BSXGTXXWHUMIPC-NWDGAFQWSA-N 1 3 246.345 2.496 10 0 BEAEHO c1ccc2c(c1)CN(C[C@@H]1CCC[NH2+]C1)C=N2 ZINC000095080080 384357583 /nfs/dbraw/zinc/35/75/83/384357583.db2.gz DRPDMFVVCRODTA-GFCCVEGCSA-N 1 3 229.327 2.162 10 0 BEAEHO CCc1ccc([C@H](C)NCCC[NH3+])s1 ZINC000044376622 385203148 /nfs/dbraw/zinc/20/31/48/385203148.db2.gz NYKMOCOQOIQSDP-VIFPVBQESA-N 1 3 212.362 2.310 10 0 BEAEHO CC(C)(N)C[NH2+]Cc1ccnc2ccccc12 ZINC000514586971 387002643 /nfs/dbraw/zinc/00/26/43/387002643.db2.gz HLBUUSUQELWBFS-UHFFFAOYSA-N 1 3 229.327 2.062 10 0 BEAEHO FC1(F)CCC([NH2+][C@H]2CCCNCC2)CC1 ZINC000335026516 387118889 /nfs/dbraw/zinc/11/88/89/387118889.db2.gz OXWMMBSWULLFKD-JTQLQIEISA-N 1 3 232.318 2.296 10 0 BEAEHO FC1(F)CC[C@H](C[NH2+][C@H]2CCCNCC2)C1 ZINC000335030039 387124282 /nfs/dbraw/zinc/12/42/82/387124282.db2.gz OTBFFQUZKAVJLU-QWRGUYRKSA-N 1 3 232.318 2.154 10 0 BEAEHO C[C@H]([NH2+]C[C@@H]1Cc2ccccc21)[C@@H]1CCCNC1 ZINC000643453662 387370812 /nfs/dbraw/zinc/37/08/12/387370812.db2.gz QBXJJJVHKCSINS-CFVMTHIKSA-N 1 3 244.382 2.304 10 0 BEAEHO C[C@H]([NH2+]C[C@@H]1Cc2ccccc21)[C@H]1CCCNC1 ZINC000643453664 387371379 /nfs/dbraw/zinc/37/13/79/387371379.db2.gz QBXJJJVHKCSINS-QEJZJMRPSA-N 1 3 244.382 2.304 10 0 BEAEHO CC(C)[NH2+]CCCNc1ccnc2ccccc21 ZINC000516030154 387448333 /nfs/dbraw/zinc/44/83/33/387448333.db2.gz PKLWRIHOHGGKJP-UHFFFAOYSA-N 1 3 243.354 2.457 10 0 BEAEHO CC[C@H]([NH2+][C@H](C)[C@@H]1CCCNC1)C(C)C ZINC000643468259 387419411 /nfs/dbraw/zinc/41/94/11/387419411.db2.gz AZPXXAVLQURTEW-UPJWGTAASA-N 1 3 212.381 2.399 10 0 BEAEHO CC[C@@]1(N)CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000575562203 387701646 /nfs/dbraw/zinc/70/16/46/387701646.db2.gz ZHXPTTZXIIJRLF-GXTWGEPZSA-N 1 3 218.344 2.388 10 0 BEAEHO CC[C@@]1(N)CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000575562203 387701654 /nfs/dbraw/zinc/70/16/54/387701654.db2.gz ZHXPTTZXIIJRLF-GXTWGEPZSA-N 1 3 218.344 2.388 10 0 BEAEHO C[C@H](CC[NH2+][C@@H]1CCNC1)CC(C)(C)C ZINC000423061714 387866898 /nfs/dbraw/zinc/86/68/98/387866898.db2.gz RKFLEJGQVQGVBM-VXGBXAGGSA-N 1 3 212.381 2.400 10 0 BEAEHO C[C@@H](CC[NH2+][C@@H]1CCNC1)CC(C)(C)C ZINC000423061712 387867428 /nfs/dbraw/zinc/86/74/28/387867428.db2.gz RKFLEJGQVQGVBM-NWDGAFQWSA-N 1 3 212.381 2.400 10 0 BEAEHO C[C@@H](CC[NH2+][C@H]1CCNC1)CC(C)(C)C ZINC000423061713 387868185 /nfs/dbraw/zinc/86/81/85/387868185.db2.gz RKFLEJGQVQGVBM-RYUDHWBXSA-N 1 3 212.381 2.400 10 0 BEAEHO C[C@H](N[C@H]1CCc2ccccc2C1)[C@@H]1CC[NH2+]C1 ZINC000400482575 387973555 /nfs/dbraw/zinc/97/35/55/387973555.db2.gz GBPRQIQKBSRMAP-MAZHCROVSA-N 1 3 244.382 2.132 10 0 BEAEHO Cc1ccccc1CCN[C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400328523 388116640 /nfs/dbraw/zinc/11/66/40/388116640.db2.gz BCNWOPJALMFQLV-UKRRQHHQSA-N 1 3 232.371 2.125 10 0 BEAEHO FC(F)(F)CCC[NH2+][C@H]1CCCNCC1 ZINC000168778035 134247888 /nfs/dbraw/zinc/24/78/88/134247888.db2.gz JTRNGXPKJGDGSU-VIFPVBQESA-N 1 3 224.270 2.061 10 0 BEAEHO C1CC1[N@@H+]1CCC[C@@H]2CN(C3CCC3)CC[C@@H]21 ZINC000179587060 134322312 /nfs/dbraw/zinc/32/23/12/134322312.db2.gz IJMIXASKKHRQSM-DOMZBBRYSA-N 1 3 234.387 2.488 10 0 BEAEHO C1CC1[N@H+]1CCC[C@@H]2CN(C3CCC3)CC[C@@H]21 ZINC000179587060 134322313 /nfs/dbraw/zinc/32/23/13/134322313.db2.gz IJMIXASKKHRQSM-DOMZBBRYSA-N 1 3 234.387 2.488 10 0 BEAEHO CCC[C@@H]1C[C@@H]1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252728708 135102876 /nfs/dbraw/zinc/10/28/76/135102876.db2.gz CKUZDPSZJNLYIS-MQYQWHSLSA-N 1 3 222.376 2.391 10 0 BEAEHO CCC[C@@H]1C[C@@H]1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252728708 135102878 /nfs/dbraw/zinc/10/28/78/135102878.db2.gz CKUZDPSZJNLYIS-MQYQWHSLSA-N 1 3 222.376 2.391 10 0 BEAEHO CC1CCC(C[N@@H+]2CCC[C@H](CN)C2)CC1 ZINC000084339657 135210558 /nfs/dbraw/zinc/21/05/58/135210558.db2.gz SPFWUHOXAFEVFU-JXQTWKCFSA-N 1 3 224.392 2.483 10 0 BEAEHO CC1CCC(C[N@H+]2CCC[C@H](CN)C2)CC1 ZINC000084339657 135210560 /nfs/dbraw/zinc/21/05/60/135210560.db2.gz SPFWUHOXAFEVFU-JXQTWKCFSA-N 1 3 224.392 2.483 10 0 BEAEHO Cc1ccc(C)c(CNCC[C@@H](C)[NH3+])c1 ZINC000258702233 322875369 /nfs/dbraw/zinc/87/53/69/322875369.db2.gz GWRJIYKQJLOPRC-GFCCVEGCSA-N 1 3 206.333 2.130 10 0 BEAEHO Cc1ccc(CNCC[C@@H](C)[NH3+])c(C)c1 ZINC000258709720 322875230 /nfs/dbraw/zinc/87/52/30/322875230.db2.gz HQQLSNLMDVJGDN-GFCCVEGCSA-N 1 3 206.333 2.130 10 0 BEAEHO C[C@H]([NH3+])[C@H]1CCN(C[C@@H]2CCCCC2(F)F)C1 ZINC000394486495 410795164 /nfs/dbraw/zinc/79/51/64/410795164.db2.gz HSMDQQVNBRFMAU-SRVKXCTJSA-N 1 3 246.345 2.481 10 0 BEAEHO CC(C)[NH2+]CC(C)(C)CN(C)C1CCOCC1 ZINC000051218285 167097645 /nfs/dbraw/zinc/09/76/45/167097645.db2.gz RZENJECIBXBLPH-UHFFFAOYSA-N 1 3 242.407 2.121 10 0 BEAEHO CC(C)[NH2+]CCCCN1CCO[C@@H]2CCC[C@@H]21 ZINC000043427997 167102623 /nfs/dbraw/zinc/10/26/23/167102623.db2.gz QGFFJJQDFVWZAI-UONOGXRCSA-N 1 3 240.391 2.018 10 0 BEAEHO c1ccc2c(c1)C[C@H]2C[NH2+][C@@H]1CCCNCC1 ZINC000129115096 411230000 /nfs/dbraw/zinc/23/00/00/411230000.db2.gz NEOXQYHWGPUPDI-UONOGXRCSA-N 1 3 230.355 2.058 10 0 BEAEHO c1ccc2c(c1)C[C@H]2CN[C@@H]1CCC[NH2+]CC1 ZINC000129115096 411230002 /nfs/dbraw/zinc/23/00/02/411230002.db2.gz NEOXQYHWGPUPDI-UONOGXRCSA-N 1 3 230.355 2.058 10 0 BEAEHO c1ccc2c(c1)nccc2NCC[NH2+]C1CC1 ZINC000054267767 411263067 /nfs/dbraw/zinc/26/30/67/411263067.db2.gz YFTBNVQXZXPRSF-UHFFFAOYSA-N 1 3 227.311 2.399 10 0 BEAEHO CC1([NH+]2CCCNCCC2)CCCCC1 ZINC000045046710 168055551 /nfs/dbraw/zinc/05/55/51/168055551.db2.gz BYMPGVRBWLCMPL-UHFFFAOYSA-N 1 3 210.365 2.395 10 0 BEAEHO CC1CC(N[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000123345922 168147215 /nfs/dbraw/zinc/14/72/15/168147215.db2.gz AFBDGDOCMSEXJD-DMTXQYTPSA-N 1 3 222.376 2.295 10 0 BEAEHO CC1CCC([N@@H+]2CCC[C@H](CN)C2)CC1 ZINC000044527794 168160707 /nfs/dbraw/zinc/16/07/07/168160707.db2.gz TUJROXPGECJTIT-OTTFEQOBSA-N 1 3 210.365 2.236 10 0 BEAEHO CC1CCC([N@H+]2CCC[C@H](CN)C2)CC1 ZINC000044527794 168160709 /nfs/dbraw/zinc/16/07/09/168160709.db2.gz TUJROXPGECJTIT-OTTFEQOBSA-N 1 3 210.365 2.236 10 0 BEAEHO CC1CC[NH+]([C@@H]2CCCC[C@H]2CN)CC1 ZINC000037156828 168186855 /nfs/dbraw/zinc/18/68/55/168186855.db2.gz IYJQXUBLPSMLQW-QWHCGFSZSA-N 1 3 210.365 2.236 10 0 BEAEHO CCN1CC[C@@H]([N@H+](C)Cc2cccnc2)[C@H](C)C1 ZINC000125745186 170010780 /nfs/dbraw/zinc/01/07/80/170010780.db2.gz AICNSSLIIGHRCQ-UKRRQHHQSA-N 1 3 247.386 2.244 10 0 BEAEHO CCN1CC[C@@H]([N@@H+](C)Cc2cccnc2)[C@H](C)C1 ZINC000125745186 170010781 /nfs/dbraw/zinc/01/07/81/170010781.db2.gz AICNSSLIIGHRCQ-UKRRQHHQSA-N 1 3 247.386 2.244 10 0 BEAEHO CC[NH2+]CCC1CN(Cc2ccccc2)C1 ZINC000095091558 170111872 /nfs/dbraw/zinc/11/18/72/170111872.db2.gz UWFUQTDERZFOMF-UHFFFAOYSA-N 1 3 218.344 2.118 10 0 BEAEHO CCNCc1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2C3)o1 ZINC000052543811 170126895 /nfs/dbraw/zinc/12/68/95/170126895.db2.gz AUNAGJKTBITHQK-NWDGAFQWSA-N 1 3 234.343 2.373 10 0 BEAEHO CCNCc1ccc(C[N@H+]2C[C@H]3CC[C@@H]2C3)o1 ZINC000052543811 170126897 /nfs/dbraw/zinc/12/68/97/170126897.db2.gz AUNAGJKTBITHQK-NWDGAFQWSA-N 1 3 234.343 2.373 10 0 BEAEHO CC[NH2+][C@@H]1CCC[C@@H]1CN(CC)CCOCC ZINC000104190884 170150630 /nfs/dbraw/zinc/15/06/30/170150630.db2.gz KWPLJDWRAPAYKO-ZIAGYGMSSA-N 1 3 242.407 2.123 10 0 BEAEHO CC[NH2+][C@@H]1CCCC[C@@H]1CN1CCCC1 ZINC000060720682 170150691 /nfs/dbraw/zinc/15/06/91/170150691.db2.gz VBORMLQNBVKEGY-CHWSQXEVSA-N 1 3 210.365 2.251 10 0 BEAEHO CCN[C@H]1CC[N@@H+](C(C2CC2)C2CC2)C[C@@H]1C ZINC000049713708 170167029 /nfs/dbraw/zinc/16/70/29/170167029.db2.gz OVEFFKQXTGBDAM-FZMZJTMJSA-N 1 3 236.403 2.495 10 0 BEAEHO CCN[C@H]1CC[N@H+](C(C2CC2)C2CC2)C[C@@H]1C ZINC000049713708 170167030 /nfs/dbraw/zinc/16/70/30/170167030.db2.gz OVEFFKQXTGBDAM-FZMZJTMJSA-N 1 3 236.403 2.495 10 0 BEAEHO CC[NH2+][C@H]1CCN(C(C2CC2)C2CC2)C[C@@H]1C ZINC000049713708 170167031 /nfs/dbraw/zinc/16/70/31/170167031.db2.gz OVEFFKQXTGBDAM-FZMZJTMJSA-N 1 3 236.403 2.495 10 0 BEAEHO C[N@H+](CC1CC=CC1)[C@@H]1CCCNCC1 ZINC000662265438 412056707 /nfs/dbraw/zinc/05/67/07/412056707.db2.gz AMEOZQYKEUTOEK-CYBMUJFWSA-N 1 3 208.349 2.027 10 0 BEAEHO C[N@@H+](CC1CC=CC1)[C@@H]1CCCNCC1 ZINC000662265438 412056708 /nfs/dbraw/zinc/05/67/08/412056708.db2.gz AMEOZQYKEUTOEK-CYBMUJFWSA-N 1 3 208.349 2.027 10 0 BEAEHO CC[C@@H]1CC[N@H+](CC2CCC2)C[C@H](C)CN1 ZINC000049665861 171007860 /nfs/dbraw/zinc/00/78/60/171007860.db2.gz WUMSNNNLLBBFRC-TZMCWYRMSA-N 1 3 224.392 2.497 10 0 BEAEHO CC[C@@H]1CC[N@@H+](CC2CCC2)C[C@H](C)CN1 ZINC000049665861 171007862 /nfs/dbraw/zinc/00/78/62/171007862.db2.gz WUMSNNNLLBBFRC-TZMCWYRMSA-N 1 3 224.392 2.497 10 0 BEAEHO CC[C@@H]1CC[NH2+][C@@H]1CCN1CCCCC1 ZINC000003733138 171026781 /nfs/dbraw/zinc/02/67/81/171026781.db2.gz QGECHVVAUZNJDW-CHWSQXEVSA-N 1 3 210.365 2.251 10 0 BEAEHO CC[C@@H]1COCCN1CCCC[NH2+]CC(C)C ZINC000052481361 171105979 /nfs/dbraw/zinc/10/59/79/171105979.db2.gz FNFMMERABDAZIH-CQSZACIVSA-N 1 3 242.407 2.123 10 0 BEAEHO CC[C@@H]1COCCN1[C@@H](C)CCC[NH2+]C1CC1 ZINC000052481575 171108609 /nfs/dbraw/zinc/10/86/09/171108609.db2.gz BDCYWOHCTRWSDS-GXTWGEPZSA-N 1 3 240.391 2.018 10 0 BEAEHO CC[C@H](C)C[C@](CC)(C[NH3+])N(C)CCN(C)C ZINC000104187009 171299655 /nfs/dbraw/zinc/29/96/55/171299655.db2.gz JWSUKMPMYDBUQL-UONOGXRCSA-N 1 3 243.439 2.024 10 0 BEAEHO CC[C@H](C)C[C@](CC)(CN)[N@H+](C)CCN(C)C ZINC000104187009 171299656 /nfs/dbraw/zinc/29/96/56/171299656.db2.gz JWSUKMPMYDBUQL-UONOGXRCSA-N 1 3 243.439 2.024 10 0 BEAEHO CC[C@H](C)C[C@](CC)(CN)[N@@H+](C)CCN(C)C ZINC000104187009 171299658 /nfs/dbraw/zinc/29/96/58/171299658.db2.gz JWSUKMPMYDBUQL-UONOGXRCSA-N 1 3 243.439 2.024 10 0 BEAEHO CC[C@H](C)CC[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000665238111 412178452 /nfs/dbraw/zinc/17/84/52/412178452.db2.gz QXNHFVDSIFILJJ-AVGNSLFASA-N 1 3 212.381 2.400 10 0 BEAEHO C[C@H]([NH2+]CCC(C)(C)F)[C@@H]1CCCNC1 ZINC000665261704 412204154 /nfs/dbraw/zinc/20/41/54/412204154.db2.gz JWQOWITXRZHGER-WDEREUQCSA-N 1 3 216.344 2.102 10 0 BEAEHO C(C[NH2+][C@H]1CCCNCC1)CC1CCC1 ZINC000665267564 412210363 /nfs/dbraw/zinc/21/03/63/412210363.db2.gz YPWCTVTYALFUCC-ZDUSSCGKSA-N 1 3 210.365 2.298 10 0 BEAEHO CN1CCC([C@H]([NH3+])c2cccs2)CC1 ZINC000077304302 173000285 /nfs/dbraw/zinc/00/02/85/173000285.db2.gz CCKSRDNMDRAWOW-NSHDSACASA-N 1 3 210.346 2.090 10 0 BEAEHO CN1CCC[C@H]1CC[NH2+]Cc1ccccc1 ZINC000034017283 173052298 /nfs/dbraw/zinc/05/22/98/173052298.db2.gz BOMGTDONYIEQMW-AWEZNQCLSA-N 1 3 218.344 2.261 10 0 BEAEHO CNC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000037241968 173323789 /nfs/dbraw/zinc/32/37/89/173323789.db2.gz WDJGHEOGTJJGHC-WCQYABFASA-N 1 3 210.365 2.249 10 0 BEAEHO CNC[C@H]1CC[N@@H+](C2CCC(C)CC2)C1 ZINC000053012853 173380674 /nfs/dbraw/zinc/38/06/74/173380674.db2.gz KBVVCOSVNXEQFB-OTTFEQOBSA-N 1 3 210.365 2.106 10 0 BEAEHO CNC[C@H]1CC[N@H+](C2CCC(C)CC2)C1 ZINC000053012853 173380675 /nfs/dbraw/zinc/38/06/75/173380675.db2.gz KBVVCOSVNXEQFB-OTTFEQOBSA-N 1 3 210.365 2.106 10 0 BEAEHO C[NH2+]Cc1c2ccccc2oc1CN(C)C ZINC000052422800 173385292 /nfs/dbraw/zinc/38/52/92/173385292.db2.gz GILNQVDFRXGLFT-UHFFFAOYSA-N 1 3 218.300 2.214 10 0 BEAEHO CNCc1cc(C[N@@H+]2CC[C@H](C)C2)c(C)o1 ZINC000052484654 173387093 /nfs/dbraw/zinc/38/70/93/173387093.db2.gz QVQJPTNLOOQDCW-JTQLQIEISA-N 1 3 222.332 2.149 10 0 BEAEHO CNCc1cc(C[N@H+]2CC[C@H](C)C2)c(C)o1 ZINC000052484654 173387094 /nfs/dbraw/zinc/38/70/94/173387094.db2.gz QVQJPTNLOOQDCW-JTQLQIEISA-N 1 3 222.332 2.149 10 0 BEAEHO CNCc1cc(C[N@@H+]2CC[C@@H](C)C2)c(C)o1 ZINC000052484656 173387200 /nfs/dbraw/zinc/38/72/00/173387200.db2.gz QVQJPTNLOOQDCW-SNVBAGLBSA-N 1 3 222.332 2.149 10 0 BEAEHO CNCc1cc(C[N@H+]2CC[C@@H](C)C2)c(C)o1 ZINC000052484656 173387201 /nfs/dbraw/zinc/38/72/01/173387201.db2.gz QVQJPTNLOOQDCW-SNVBAGLBSA-N 1 3 222.332 2.149 10 0 BEAEHO C[NH2+]Cc1oc(CN2CCCCC2)cc1C ZINC000052421364 173399650 /nfs/dbraw/zinc/39/96/50/173399650.db2.gz PDBVQQBXETZMPB-UHFFFAOYSA-N 1 3 222.332 2.293 10 0 BEAEHO COC1CC[NH+]([C@@H]2CCCCC[C@@H]2CN)CC1 ZINC000037265711 174030647 /nfs/dbraw/zinc/03/06/47/174030647.db2.gz FIRASDISUBELDJ-TZMCWYRMSA-N 1 3 240.391 2.005 10 0 BEAEHO COCCC[N@H+](CCCN)C1CCCCCC1 ZINC000037753576 174223000 /nfs/dbraw/zinc/22/30/00/174223000.db2.gz NNURIOABYIQUSM-UHFFFAOYSA-N 1 3 242.407 2.397 10 0 BEAEHO COCCC[N@@H+](CCCN)C1CCCCCC1 ZINC000037753576 174223004 /nfs/dbraw/zinc/22/30/04/174223004.db2.gz NNURIOABYIQUSM-UHFFFAOYSA-N 1 3 242.407 2.397 10 0 BEAEHO COCCN(C1CC1)C1(C[NH3+])CCCCCC1 ZINC000042517886 174284615 /nfs/dbraw/zinc/28/46/15/174284615.db2.gz FXCPDGVAHFZFBY-UHFFFAOYSA-N 1 3 240.391 2.149 10 0 BEAEHO COc1ccc(C[NH3+])cc1CN1CCCCC1 ZINC000022200871 175097065 /nfs/dbraw/zinc/09/70/65/175097065.db2.gz NQNPFBNGRHDQJY-UHFFFAOYSA-N 1 3 234.343 2.140 10 0 BEAEHO COc1cccc(CN2CCC[C@H]2CC[NH3+])c1 ZINC000082341619 175258257 /nfs/dbraw/zinc/25/82/57/175258257.db2.gz NGNPPCCBPSOYND-ZDUSSCGKSA-N 1 3 234.343 2.008 10 0 BEAEHO C[C@@H]1CCC[N@H+](C[C@@H]2CCCC[C@@H]2N)C1 ZINC000058081458 176099068 /nfs/dbraw/zinc/09/90/68/176099068.db2.gz ROEZKSQLMWMKKZ-AGIUHOORSA-N 1 3 210.365 2.236 10 0 BEAEHO C[C@@H]1CCC[N@@H+](C[C@@H]2CCCC[C@@H]2N)C1 ZINC000058081458 176099070 /nfs/dbraw/zinc/09/90/70/176099070.db2.gz ROEZKSQLMWMKKZ-AGIUHOORSA-N 1 3 210.365 2.236 10 0 BEAEHO C[C@@H]1CCC[N@H+](Cc2occc2CN)[C@@H]1C ZINC000052373318 176103304 /nfs/dbraw/zinc/10/33/04/176103304.db2.gz OUINUMFZGWQVJF-GHMZBOCLSA-N 1 3 222.332 2.359 10 0 BEAEHO C[C@@H]1CCC[N@@H+](Cc2occc2CN)[C@@H]1C ZINC000052373318 176103306 /nfs/dbraw/zinc/10/33/06/176103306.db2.gz OUINUMFZGWQVJF-GHMZBOCLSA-N 1 3 222.332 2.359 10 0 BEAEHO C[C@@H]1CCC[C@@H](C)[NH+]1C[C@@H]1CCC[C@@H]1N ZINC000058058430 176116185 /nfs/dbraw/zinc/11/61/85/176116185.db2.gz IUZAKXVLAMMAOF-NDBYEHHHSA-N 1 3 210.365 2.377 10 0 BEAEHO C[C@@H]1CC[N@H+](Cc2occc2CN)[C@H](C)C1 ZINC000052509992 176179256 /nfs/dbraw/zinc/17/92/56/176179256.db2.gz LYNDXDOLHBKPAN-GHMZBOCLSA-N 1 3 222.332 2.359 10 0 BEAEHO C[C@@H]1CC[N@@H+](Cc2occc2CN)[C@H](C)C1 ZINC000052509992 176179257 /nfs/dbraw/zinc/17/92/57/176179257.db2.gz LYNDXDOLHBKPAN-GHMZBOCLSA-N 1 3 222.332 2.359 10 0 BEAEHO C[C@@H]1CCN([C@@H](CC(N)=[NH2+])c2ccccc2)C1 ZINC000055023089 176179981 /nfs/dbraw/zinc/17/99/81/176179981.db2.gz XETMMTVEQOMZNJ-YPMHNXCESA-N 1 3 231.343 2.396 10 0 BEAEHO C[C@@H]1CC[C@H](CN)C[N@@H+]1CCC(C)(C)C ZINC000042427491 176223687 /nfs/dbraw/zinc/22/36/87/176223687.db2.gz UQKOUERYGKPTGQ-VXGBXAGGSA-N 1 3 212.381 2.482 10 0 BEAEHO C[C@@H]1CC[C@H](CN)C[N@H+]1CCC(C)(C)C ZINC000042427491 176223688 /nfs/dbraw/zinc/22/36/88/176223688.db2.gz UQKOUERYGKPTGQ-VXGBXAGGSA-N 1 3 212.381 2.482 10 0 BEAEHO C[C@H]1[C@@H](N)[C@@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000068592989 176306406 /nfs/dbraw/zinc/30/64/06/176306406.db2.gz MCYADVOUXKSBRH-RGCMKSIDSA-N 1 3 232.371 2.490 10 0 BEAEHO C[C@H]1[C@@H](N)[C@@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC000068592989 176306407 /nfs/dbraw/zinc/30/64/07/176306407.db2.gz MCYADVOUXKSBRH-RGCMKSIDSA-N 1 3 232.371 2.490 10 0 BEAEHO C[C@@H]1CN(Cc2ccccc2)[C@H](C)[C@H](C)[C@@H]1[NH3+] ZINC000068592769 176306460 /nfs/dbraw/zinc/30/64/60/176306460.db2.gz CNGGMQNYSIBNDV-QVHKTLOISA-N 1 3 232.371 2.490 10 0 BEAEHO C[C@@H]1COCCN1CCCCC[NH2+]C(C)(C)C ZINC000052476028 176335502 /nfs/dbraw/zinc/33/55/02/176335502.db2.gz OZFNRKKNVSVKPX-CYBMUJFWSA-N 1 3 242.407 2.266 10 0 BEAEHO C[C@H](c1ccc(N)cc1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071187845 177034415 /nfs/dbraw/zinc/03/44/15/177034415.db2.gz CVCYWZXLXHMQST-CHWSQXEVSA-N 1 3 247.386 2.213 10 0 BEAEHO C[C@H](c1ccc(N)cc1)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071187845 177034418 /nfs/dbraw/zinc/03/44/18/177034418.db2.gz CVCYWZXLXHMQST-CHWSQXEVSA-N 1 3 247.386 2.213 10 0 BEAEHO C[C@H](c1cccs1)N1CC[C@@H](C[NH3+])C1 ZINC000100256720 177049514 /nfs/dbraw/zinc/04/95/14/177049514.db2.gz XZDHMSCIVWBHAY-ZJUUUORDSA-N 1 3 210.346 2.090 10 0 BEAEHO C[C@H]1CC[NH+](C2CCCC2)CC[C@H](C)N1 ZINC000049664896 177157346 /nfs/dbraw/zinc/15/73/46/177157346.db2.gz CEESMZWRVLGDIL-RYUDHWBXSA-N 1 3 210.365 2.391 10 0 BEAEHO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@H](N)C1 ZINC000038587394 177165059 /nfs/dbraw/zinc/16/50/59/177165059.db2.gz BXJFSICAWIZSFJ-GXTWGEPZSA-N 1 3 218.344 2.246 10 0 BEAEHO C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H](N)C1 ZINC000038587394 177165061 /nfs/dbraw/zinc/16/50/61/177165061.db2.gz BXJFSICAWIZSFJ-GXTWGEPZSA-N 1 3 218.344 2.246 10 0 BEAEHO C[C@@H]1CNC[C@H](C)C[N@@H+](CC(C)(C)C)C1 ZINC000049667094 177284970 /nfs/dbraw/zinc/28/49/70/177284970.db2.gz ZTBUGKWPMYPZLF-TXEJJXNPSA-N 1 3 212.381 2.210 10 0 BEAEHO C[C@@H]1CNC[C@H](C)C[N@H+](CC(C)(C)C)C1 ZINC000049667094 177284972 /nfs/dbraw/zinc/28/49/72/177284972.db2.gz ZTBUGKWPMYPZLF-TXEJJXNPSA-N 1 3 212.381 2.210 10 0 BEAEHO C[C@H](NCCCc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400349965 226341303 /nfs/dbraw/zinc/34/13/03/226341303.db2.gz JQDXIKDVXFAYKC-DZGCQCFKSA-N 1 3 232.371 2.207 10 0 BEAEHO C[C@@H](NC1CCC([NH3+])CC1)c1cscn1 ZINC000229127574 487822472 /nfs/dbraw/zinc/82/24/72/487822472.db2.gz LMGGSQCJVRWOMX-XNWIYYODSA-N 1 3 225.361 2.064 10 0 BEAEHO C[C@@H]([NH2+]CC1(C)CCC1)[C@@H]1CCCNC1 ZINC000667023771 487931686 /nfs/dbraw/zinc/93/16/86/487931686.db2.gz ZRRIZFOWFGTILT-VXGBXAGGSA-N 1 3 210.365 2.154 10 0 BEAEHO Cc1cccc(CN[C@@H](C)C2CC[NH+](C)CC2)n1 ZINC000051575048 487933034 /nfs/dbraw/zinc/93/30/34/487933034.db2.gz AEHVKIOKNODAJU-ZDUSSCGKSA-N 1 3 247.386 2.210 10 0 BEAEHO CC(C)CSCCN[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000562959592 323035301 /nfs/dbraw/zinc/03/53/01/323035301.db2.gz KUAHTPVJSGXZOO-STQMWFEESA-N 1 3 244.448 2.353 10 0 BEAEHO CC(C)CSCC[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000562959592 323035302 /nfs/dbraw/zinc/03/53/02/323035302.db2.gz KUAHTPVJSGXZOO-STQMWFEESA-N 1 3 244.448 2.353 10 0 BEAEHO CSCCCCC[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000570441974 323059467 /nfs/dbraw/zinc/05/94/67/323059467.db2.gz IISIJEAWNHEBBA-STQMWFEESA-N 1 3 244.448 2.497 10 0 BEAEHO CSCCCCC[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000570441971 323059526 /nfs/dbraw/zinc/05/95/26/323059526.db2.gz IISIJEAWNHEBBA-CHWSQXEVSA-N 1 3 244.448 2.497 10 0 BEAEHO CCSCCC[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000570624406 323064752 /nfs/dbraw/zinc/06/47/52/323064752.db2.gz LYDOXDGNPSHXNS-VXGBXAGGSA-N 1 3 230.421 2.107 10 0 BEAEHO C[C@@H]([NH2+]CCCC(F)(F)F)[C@@H]1CCCNC1 ZINC000567645826 326238173 /nfs/dbraw/zinc/23/81/73/326238173.db2.gz AUCGHNNWGBKXIZ-NXEZZACHSA-N 1 3 238.297 2.307 10 0 BEAEHO Cc1ccc2nccc(NC[C@H](C)[NH3+])c2c1 ZINC000257744912 488087458 /nfs/dbraw/zinc/08/74/58/488087458.db2.gz DOJUGOGPOQSVJU-JTQLQIEISA-N 1 3 215.300 2.302 10 0 BEAEHO CCCC[N@@H+]1CCC[C@]12CC[C@H](C)NC2 ZINC000757124066 582499126 /nfs/dbraw/zinc/49/91/26/582499126.db2.gz BNOUIKAPGMZWBP-QWHCGFSZSA-N 1 3 210.365 2.393 10 0 BEAEHO CCCC[N@H+]1CCC[C@]12CC[C@H](C)NC2 ZINC000757124066 582499128 /nfs/dbraw/zinc/49/91/28/582499128.db2.gz BNOUIKAPGMZWBP-QWHCGFSZSA-N 1 3 210.365 2.393 10 0 BEAEHO C[C@@H]1C[NH2+]C[C@@]2(CCCN2CCC2CC2)C1 ZINC000757128196 582503004 /nfs/dbraw/zinc/50/30/04/582503004.db2.gz JMVFACMNFOHGFJ-GXTWGEPZSA-N 1 3 222.376 2.251 10 0 BEAEHO C[C@@H]1CNC[C@@]2(CCC[N@@H+]2CCC2CC2)C1 ZINC000757128196 582503005 /nfs/dbraw/zinc/50/30/05/582503005.db2.gz JMVFACMNFOHGFJ-GXTWGEPZSA-N 1 3 222.376 2.251 10 0 BEAEHO C[C@@H]1CNC[C@@]2(CCC[N@H+]2CCC2CC2)C1 ZINC000757128196 582503008 /nfs/dbraw/zinc/50/30/08/582503008.db2.gz JMVFACMNFOHGFJ-GXTWGEPZSA-N 1 3 222.376 2.251 10 0 BEAEHO C(C[N@@H+]1CCCC12CCNCC2)C1CCC1 ZINC000757127932 582503397 /nfs/dbraw/zinc/50/33/97/582503397.db2.gz IDZGISUXMBMCOV-UHFFFAOYSA-N 1 3 222.376 2.395 10 0 BEAEHO C(C[N@H+]1CCCC12CCNCC2)C1CCC1 ZINC000757127932 582503399 /nfs/dbraw/zinc/50/33/99/582503399.db2.gz IDZGISUXMBMCOV-UHFFFAOYSA-N 1 3 222.376 2.395 10 0 BEAEHO C[C@@H](C1CC1)[N@@H+]1CCCC12CCNCC2 ZINC000757134204 582510714 /nfs/dbraw/zinc/51/07/14/582510714.db2.gz WSKFFWZUIJQNCR-NSHDSACASA-N 1 3 208.349 2.003 10 0 BEAEHO C[C@@H](C1CC1)[N@H+]1CCCC12CCNCC2 ZINC000757134204 582510715 /nfs/dbraw/zinc/51/07/15/582510715.db2.gz WSKFFWZUIJQNCR-NSHDSACASA-N 1 3 208.349 2.003 10 0 BEAEHO C[C@H](CCc1ccco1)N[C@H](C)[C@H]1CC[NH2+]C1 ZINC000400521982 534001139 /nfs/dbraw/zinc/00/11/39/534001139.db2.gz OSLUVHFOLVCPKZ-UPJWGTAASA-N 1 3 236.359 2.188 10 0 BEAEHO C[C@H](CCc1ccco1)N[C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400521980 534001434 /nfs/dbraw/zinc/00/14/34/534001434.db2.gz OSLUVHFOLVCPKZ-JHJVBQTASA-N 1 3 236.359 2.188 10 0 BEAEHO CCSCC[C@H](C)N[C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400432985 529195436 /nfs/dbraw/zinc/19/54/36/529195436.db2.gz LTCXFXHBGIPDEM-SRVKXCTJSA-N 1 3 230.421 2.106 10 0 BEAEHO CC(C)CN1CCC[C@]12CC[C@@H](C)[NH2+]C2 ZINC000757124090 582499591 /nfs/dbraw/zinc/49/95/91/582499591.db2.gz BUOKJDINPYODGE-CHWSQXEVSA-N 1 3 210.365 2.249 10 0 BEAEHO CC(C)C[N@@H+]1CCC[C@]12CC[C@@H](C)NC2 ZINC000757124090 582499593 /nfs/dbraw/zinc/49/95/93/582499593.db2.gz BUOKJDINPYODGE-CHWSQXEVSA-N 1 3 210.365 2.249 10 0 BEAEHO CC(C)C[N@H+]1CCC[C@]12CC[C@@H](C)NC2 ZINC000757124090 582499595 /nfs/dbraw/zinc/49/95/95/582499595.db2.gz BUOKJDINPYODGE-CHWSQXEVSA-N 1 3 210.365 2.249 10 0 BEAEHO C[C@@H]1C[C@@H]1[N@@H+]1CCC[C@@]12CCCN[C@@H]2C ZINC000757126504 582500464 /nfs/dbraw/zinc/50/04/64/582500464.db2.gz FYQUXPWBMFWGDT-FVCCEPFGSA-N 1 3 208.349 2.001 10 0 BEAEHO C[C@@H]1C[C@@H]1[N@H+]1CCC[C@@]12CCCN[C@@H]2C ZINC000757126504 582500467 /nfs/dbraw/zinc/50/04/67/582500467.db2.gz FYQUXPWBMFWGDT-FVCCEPFGSA-N 1 3 208.349 2.001 10 0 BEAEHO CCC[C@@H](C)[N@@H+]1CCCC12CCNCC2 ZINC000757126770 582501373 /nfs/dbraw/zinc/50/13/73/582501373.db2.gz GZWIFCKGUNYTAK-GFCCVEGCSA-N 1 3 210.365 2.393 10 0 BEAEHO CCC[C@@H](C)[N@H+]1CCCC12CCNCC2 ZINC000757126770 582501374 /nfs/dbraw/zinc/50/13/74/582501374.db2.gz GZWIFCKGUNYTAK-GFCCVEGCSA-N 1 3 210.365 2.393 10 0 BEAEHO C[C@@H]1CC[C@@]2(CCCN2CCC2CC2)C[NH2+]1 ZINC000757129671 586426509 /nfs/dbraw/zinc/42/65/09/586426509.db2.gz MSXUDPRIDMHTGJ-OCCSQVGLSA-N 1 3 222.376 2.393 10 0 BEAEHO C[C@@H]1CC[C@@]2(CCC[N@@H+]2CCC2CC2)CN1 ZINC000757129671 586426510 /nfs/dbraw/zinc/42/65/10/586426510.db2.gz MSXUDPRIDMHTGJ-OCCSQVGLSA-N 1 3 222.376 2.393 10 0 BEAEHO C[C@@H]1CC[C@@]2(CCC[N@H+]2CCC2CC2)CN1 ZINC000757129671 586426512 /nfs/dbraw/zinc/42/65/12/586426512.db2.gz MSXUDPRIDMHTGJ-OCCSQVGLSA-N 1 3 222.376 2.393 10 0 BEAEHO CC(C)C[N@@H+]1CCC[C@]12CNC[C@H](C)C2 ZINC000757133706 586427050 /nfs/dbraw/zinc/42/70/50/586427050.db2.gz UAOGOGXWNSLEPY-OLZOCXBDSA-N 1 3 210.365 2.106 10 0 BEAEHO CC(C)C[N@H+]1CCC[C@]12CNC[C@H](C)C2 ZINC000757133706 586427051 /nfs/dbraw/zinc/42/70/51/586427051.db2.gz UAOGOGXWNSLEPY-OLZOCXBDSA-N 1 3 210.365 2.106 10 0 BEAEHO CC(C)CN1CCC[C@]12C[NH2+]C[C@H](C)C2 ZINC000757133706 586427052 /nfs/dbraw/zinc/42/70/52/586427052.db2.gz UAOGOGXWNSLEPY-OLZOCXBDSA-N 1 3 210.365 2.106 10 0 BEAEHO CC(C)C[N@@H+]1CCC[C@@]12CNC[C@H](C)C2 ZINC000757133699 586427183 /nfs/dbraw/zinc/42/71/83/586427183.db2.gz UAOGOGXWNSLEPY-CHWSQXEVSA-N 1 3 210.365 2.106 10 0 BEAEHO CC(C)C[N@H+]1CCC[C@@]12CNC[C@H](C)C2 ZINC000757133699 586427184 /nfs/dbraw/zinc/42/71/84/586427184.db2.gz UAOGOGXWNSLEPY-CHWSQXEVSA-N 1 3 210.365 2.106 10 0 BEAEHO CC(C)CN1CCC[C@@]12C[NH2+]C[C@H](C)C2 ZINC000757133699 586427186 /nfs/dbraw/zinc/42/71/86/586427186.db2.gz UAOGOGXWNSLEPY-CHWSQXEVSA-N 1 3 210.365 2.106 10 0 BEAEHO CCN1CCC2(CC1)[NH2+][C@H](C(C)(C)C)CCO2 ZINC000757144001 586428371 /nfs/dbraw/zinc/42/83/71/586428371.db2.gz ZJYUTENRRSARQF-LBPRGKRZSA-N 1 3 240.391 2.223 10 0 BEAEHO C[C@@H]1CC[C@H](C[NH3+])[C@@H](c2cccs2)N1 ZINC000757213455 586439901 /nfs/dbraw/zinc/43/99/01/586439901.db2.gz KHJKMHRGQKGJHK-KKZNHRDASA-N 1 3 210.346 2.136 10 0 BEAEHO C[C@@H]1CC[C@H](C[NH3+])[C@@H](c2ccccc2)N1 ZINC000757217412 586441527 /nfs/dbraw/zinc/44/15/27/586441527.db2.gz RTWUVJCFIAWECV-RAIGVLPGSA-N 1 3 204.317 2.075 10 0 BEAEHO [NH3+]C[C@@H]1CC[C@@H](c2cccc3cc[nH]c32)NC1 ZINC000757220391 586442428 /nfs/dbraw/zinc/44/24/28/586442428.db2.gz YYVNISUQRPKWES-GWCFXTLKSA-N 1 3 229.327 2.167 10 0 BEAEHO [NH3+][C@H]1CCNC[C@@H]1c1cscc1C(F)F ZINC000757234737 586443430 /nfs/dbraw/zinc/44/34/30/586443430.db2.gz LUIPONUDDQMSTF-MUWHJKNJSA-N 1 3 232.299 2.090 10 0 BEAEHO N[C@H]1CC[NH2+]C[C@@H]1c1cscc1C(F)F ZINC000757234737 586443431 /nfs/dbraw/zinc/44/34/31/586443431.db2.gz LUIPONUDDQMSTF-MUWHJKNJSA-N 1 3 232.299 2.090 10 0 BEAEHO CC[C@H](N[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)C(C)C ZINC000328572139 633778614 /nfs/dbraw/zinc/77/86/14/633778614.db2.gz UFFRBOJIUIGXHE-SNIKSBKOSA-N 1 3 222.376 2.007 10 0 BEAEHO CN(CCc1cccs1)[C@@H]1CCC[NH2+]CC1 ZINC000086441807 644137506 /nfs/dbraw/zinc/13/75/06/644137506.db2.gz AFKDGIUYCIZNMM-GFCCVEGCSA-N 1 3 238.400 2.365 10 0 BEAEHO C[C@@H]1CC[C@H](C)[N@@H+](C2[C@H](C)CNC[C@H]2C)C1 ZINC000685951925 644518517 /nfs/dbraw/zinc/51/85/17/644518517.db2.gz ZHSYTKMHYMPGNI-LPWJVIDDSA-N 1 3 224.392 2.351 10 0 BEAEHO C[C@@H]1CC[C@H](C)[N@H+](C2[C@H](C)CNC[C@H]2C)C1 ZINC000685951925 644518522 /nfs/dbraw/zinc/51/85/22/644518522.db2.gz ZHSYTKMHYMPGNI-LPWJVIDDSA-N 1 3 224.392 2.351 10 0 BEAEHO C[C@H]([NH2+]C1CCNCC1)[C@]12C[C@H]1CCCC2 ZINC000708865612 712202022 /nfs/dbraw/zinc/20/20/22/712202022.db2.gz JXGAEYUCKGJITN-SCRDCRAPSA-N 1 3 222.376 2.297 10 0 BEAEHO CN(CCCCCC[NH3+])Cc1ccccn1 ZINC000036777698 712494842 /nfs/dbraw/zinc/49/48/42/712494842.db2.gz ZTEYAXBDMGRWAP-UHFFFAOYSA-N 1 3 221.348 2.033 10 0 BEAEHO CC[C@@H]1CCCN(CCC[NH2+]C2CC2)C1 ZINC000037478634 712647713 /nfs/dbraw/zinc/64/77/13/712647713.db2.gz YSDMFQMZNNZPHB-GFCCVEGCSA-N 1 3 210.365 2.251 10 0 BEAEHO CC[C@@H]1CCC[N@H+](CCCNC2CC2)C1 ZINC000037478634 712647714 /nfs/dbraw/zinc/64/77/14/712647714.db2.gz YSDMFQMZNNZPHB-GFCCVEGCSA-N 1 3 210.365 2.251 10 0 BEAEHO CC[C@@H]1CCC[N@@H+](CCCNC2CC2)C1 ZINC000037478634 712647715 /nfs/dbraw/zinc/64/77/15/712647715.db2.gz YSDMFQMZNNZPHB-GFCCVEGCSA-N 1 3 210.365 2.251 10 0 BEAEHO CC[C@@H](NCCC[NH3+])c1ccc2c(c1)CCO2 ZINC000037713840 712749861 /nfs/dbraw/zinc/74/98/61/712749861.db2.gz WEWAKAVXYJVGAE-CYBMUJFWSA-N 1 3 234.343 2.011 10 0 BEAEHO CCC1CCC2(CC1)[C@@H]([NH3+])CCN2CC ZINC000685955366 538900516 /nfs/dbraw/zinc/90/05/16/538900516.db2.gz YLFRVGKAOOKGHD-CPCZMJQVSA-N 1 3 210.365 2.378 10 0 BEAEHO Cc1cc(CNC[C@H]2CCC[N@H+](C)C2)c(C)n1C ZINC000052790507 178025211 /nfs/dbraw/zinc/02/52/11/178025211.db2.gz CXMHYJKFWPBBKK-CQSZACIVSA-N 1 3 249.402 2.073 10 0 BEAEHO Cc1cc(CNC[C@H]2CCC[N@@H+](C)C2)c(C)n1C ZINC000052790507 178025213 /nfs/dbraw/zinc/02/52/13/178025213.db2.gz CXMHYJKFWPBBKK-CQSZACIVSA-N 1 3 249.402 2.073 10 0 BEAEHO CC1(C)CC[C@H](N)C[N@@H+]1Cc1ccccc1 ZINC000258883213 349519307 /nfs/dbraw/zinc/51/93/07/349519307.db2.gz SWLVJRPGACPDIT-ZDUSSCGKSA-N 1 3 218.344 2.388 10 0 BEAEHO CC1(C)CC[C@H](N)C[N@H+]1Cc1ccccc1 ZINC000258883213 349519310 /nfs/dbraw/zinc/51/93/10/349519310.db2.gz SWLVJRPGACPDIT-ZDUSSCGKSA-N 1 3 218.344 2.388 10 0 BEAEHO C[C@@H]1CN(C[C@@H]2CCCCC2(F)F)CC[C@@H]1[NH3+] ZINC000381623643 398267207 /nfs/dbraw/zinc/26/72/07/398267207.db2.gz SUDJKLNVDHTOSJ-WOPDTQHZSA-N 1 3 246.345 2.481 10 0 BEAEHO CCC(CC)N(CCOC)C[C@@](C)([NH3+])C1CC1 ZINC000042681725 168373666 /nfs/dbraw/zinc/37/36/66/168373666.db2.gz DMOHAHYJUPOVKN-CQSZACIVSA-N 1 3 242.407 2.251 10 0 BEAEHO CCC(CC)[N@H+]1[C@@H]2CC[C@H]1CC(NC)C2 ZINC000054603359 168375885 /nfs/dbraw/zinc/37/58/85/168375885.db2.gz WPZUDVFXXUQODN-VGPLMAKISA-N 1 3 210.365 2.390 10 0 BEAEHO CCC(CC)[N@@H+]1[C@@H]2CC[C@H]1CC(NC)C2 ZINC000054603359 168375888 /nfs/dbraw/zinc/37/58/88/168375888.db2.gz WPZUDVFXXUQODN-VGPLMAKISA-N 1 3 210.365 2.390 10 0 BEAEHO [NH3+]C1CCN(CC2CCC(F)(F)CC2)CC1 ZINC000145847171 342763652 /nfs/dbraw/zinc/76/36/52/342763652.db2.gz ZCBPUBMEXHAGAD-UHFFFAOYSA-N 1 3 232.318 2.235 10 0 BEAEHO N[C@@]12C[N@H+](Cc3ccccc3)C[C@H]1CCCC2 ZINC000138218956 342800806 /nfs/dbraw/zinc/80/08/06/342800806.db2.gz YSRKXDRZBDXBAH-CABCVRRESA-N 1 3 230.355 2.390 10 0 BEAEHO N[C@@]12C[N@@H+](Cc3ccccc3)C[C@H]1CCCC2 ZINC000138218956 342800807 /nfs/dbraw/zinc/80/08/07/342800807.db2.gz YSRKXDRZBDXBAH-CABCVRRESA-N 1 3 230.355 2.390 10 0 BEAEHO CC(C)CCN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000038000169 398335658 /nfs/dbraw/zinc/33/56/58/398335658.db2.gz CHFWAZGVJCVBOG-KGLIPLIRSA-N 1 3 224.392 2.497 10 0 BEAEHO CCC[C@H](NCCC[NH3+])c1ccccc1 ZINC000037713428 342943452 /nfs/dbraw/zinc/94/34/52/342943452.db2.gz QGCDOKFQVDKOGJ-ZDUSSCGKSA-N 1 3 206.333 2.466 10 0 BEAEHO C[C@@H]1C[N@H+](CC2CCC(C)CC2)C[C@@H]1CN ZINC000634998825 345199112 /nfs/dbraw/zinc/19/91/12/345199112.db2.gz LNMBPUFFIDWKEM-HHTDUIENSA-N 1 3 224.392 2.339 10 0 BEAEHO C[C@@H]1C[N@@H+](CC2CCC(C)CC2)C[C@@H]1CN ZINC000634998825 345199114 /nfs/dbraw/zinc/19/91/14/345199114.db2.gz LNMBPUFFIDWKEM-HHTDUIENSA-N 1 3 224.392 2.339 10 0 BEAEHO C[C@H]1C[N@H+](CC2CCC(C)CC2)C[C@@H]1CN ZINC000634998826 345199411 /nfs/dbraw/zinc/19/94/11/345199411.db2.gz LNMBPUFFIDWKEM-YIOUJQMASA-N 1 3 224.392 2.339 10 0 BEAEHO C[C@H]1C[N@@H+](CC2CCC(C)CC2)C[C@@H]1CN ZINC000634998826 345199414 /nfs/dbraw/zinc/19/94/14/345199414.db2.gz LNMBPUFFIDWKEM-YIOUJQMASA-N 1 3 224.392 2.339 10 0 BEAEHO Cc1cccc(CN(C)[C@H](C)CC[NH3+])c1 ZINC000042435695 179068954 /nfs/dbraw/zinc/06/89/54/179068954.db2.gz MNKQHHIXVUUWBW-GFCCVEGCSA-N 1 3 206.333 2.164 10 0 BEAEHO Cc1cccc(C[NH2+]C[C@@H]2CCN(C)C2)c1 ZINC000037484593 179092486 /nfs/dbraw/zinc/09/24/86/179092486.db2.gz DSDCVVHUHWCSTF-AWEZNQCLSA-N 1 3 218.344 2.036 10 0 BEAEHO Cc1cccc(CNC[C@@H]2CC[N@@H+](C)C2)c1 ZINC000037484593 179092489 /nfs/dbraw/zinc/09/24/89/179092489.db2.gz DSDCVVHUHWCSTF-AWEZNQCLSA-N 1 3 218.344 2.036 10 0 BEAEHO Cc1cccc(CNC[C@@H]2CC[N@H+](C)C2)c1 ZINC000037484593 179092493 /nfs/dbraw/zinc/09/24/93/179092493.db2.gz DSDCVVHUHWCSTF-AWEZNQCLSA-N 1 3 218.344 2.036 10 0 BEAEHO CCOC[C@H]([NH2+][C@@H](C)[C@H]1CCCNC1)C(C)C ZINC000580062448 346502206 /nfs/dbraw/zinc/50/22/06/346502206.db2.gz CQUFMFBGGYNHGG-IHRRRGAJSA-N 1 3 242.407 2.025 10 0 BEAEHO CCOC[C@H](N[C@@H](C)[C@H]1CCC[NH2+]C1)C(C)C ZINC000580062448 346502209 /nfs/dbraw/zinc/50/22/09/346502209.db2.gz CQUFMFBGGYNHGG-IHRRRGAJSA-N 1 3 242.407 2.025 10 0 BEAEHO C[C@H](CC(F)(F)F)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000577161775 365848419 /nfs/dbraw/zinc/84/84/19/365848419.db2.gz RAPDVESTPNJPBE-UTLUCORTSA-N 1 3 238.297 2.305 10 0 BEAEHO [NH3+][C@@H](CCN1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000114349137 347352195 /nfs/dbraw/zinc/35/21/95/347352195.db2.gz DPXXYMQUWQIWCM-ZDUSSCGKSA-N 1 3 249.314 2.081 10 0 BEAEHO Cc1ccccc1[C@@H]1[C@@H](C[NH3+])CCCN1C ZINC000069796298 179332348 /nfs/dbraw/zinc/33/23/48/179332348.db2.gz XTQYAQRPEBMHNQ-OCCSQVGLSA-N 1 3 218.344 2.337 10 0 BEAEHO Cc1ccccc1[C@@H]1[C@@H](CN)CCC[N@H+]1C ZINC000069796298 179332351 /nfs/dbraw/zinc/33/23/51/179332351.db2.gz XTQYAQRPEBMHNQ-OCCSQVGLSA-N 1 3 218.344 2.337 10 0 BEAEHO Cc1ccccc1[C@@H]1[C@@H](CN)CCC[N@@H+]1C ZINC000069796298 179332353 /nfs/dbraw/zinc/33/23/53/179332353.db2.gz XTQYAQRPEBMHNQ-OCCSQVGLSA-N 1 3 218.344 2.337 10 0 BEAEHO CC(C)C[C@H](C)[NH2+]C[C@@H](C)CN(C)C ZINC000336683437 191125569 /nfs/dbraw/zinc/12/55/69/191125569.db2.gz IVPOSSPCLJGCPM-NEPJUHHUSA-N 1 3 200.370 2.208 10 0 BEAEHO CC(C)[C@@H]([NH3+])CCNCc1ccccc1 ZINC000129224844 351008762 /nfs/dbraw/zinc/00/87/62/351008762.db2.gz CXAIPSWWKFQZEX-ZDUSSCGKSA-N 1 3 206.333 2.150 10 0 BEAEHO c1ccc(CCCN2CCC[NH2+]CCC2)cc1 ZINC000049666798 188125734 /nfs/dbraw/zinc/12/57/34/188125734.db2.gz NSOVSBKLGODYFM-UHFFFAOYSA-N 1 3 232.371 2.305 10 0 BEAEHO c1ccc(CCC[NH+]2CCCNCCC2)cc1 ZINC000049666798 188125735 /nfs/dbraw/zinc/12/57/35/188125735.db2.gz NSOVSBKLGODYFM-UHFFFAOYSA-N 1 3 232.371 2.305 10 0 BEAEHO CC(C)N(C)Cc1cc(C[NH3+])ccc1F ZINC000019282575 188172259 /nfs/dbraw/zinc/17/22/59/188172259.db2.gz OEKJAICWBYUIGE-UHFFFAOYSA-N 1 3 210.296 2.125 10 0 BEAEHO C[C@H]1CC[NH2+]C[C@H]1Nc1ccnc2ccccc21 ZINC000389740512 357023414 /nfs/dbraw/zinc/02/34/14/357023414.db2.gz YPTPNZDJIVLBDT-XHDPSFHLSA-N 1 3 241.338 2.067 10 0 BEAEHO C[C@@H]1C[C@H](C)C[N@H+](C2[C@H](C)CNC[C@H]2C)C1 ZINC000685951095 538894603 /nfs/dbraw/zinc/89/46/03/538894603.db2.gz MSDXRQCKWQTYTQ-YVECIDJPSA-N 1 3 224.392 2.208 10 0 BEAEHO C[C@@H]1C[C@H](C)C[N@@H+](C2[C@H](C)CNC[C@H]2C)C1 ZINC000685951095 538894605 /nfs/dbraw/zinc/89/46/05/538894605.db2.gz MSDXRQCKWQTYTQ-YVECIDJPSA-N 1 3 224.392 2.208 10 0 BEAEHO C[C@@H]1C[C@@H](C)C[NH+]([C@H]2[C@H](C)CNC[C@@H]2C)C1 ZINC000685951091 538894620 /nfs/dbraw/zinc/89/46/20/538894620.db2.gz MSDXRQCKWQTYTQ-POQQGIQPSA-N 1 3 224.392 2.208 10 0 BEAEHO CCCC[N@H+](CC)C1[C@H](C)CNC[C@H]1C ZINC000685950910 538894780 /nfs/dbraw/zinc/89/47/80/538894780.db2.gz HRYQCAYBSJOKAP-VXGBXAGGSA-N 1 3 212.381 2.352 10 0 BEAEHO CCCC[N@@H+](CC)C1[C@H](C)CNC[C@H]1C ZINC000685950910 538894781 /nfs/dbraw/zinc/89/47/81/538894781.db2.gz HRYQCAYBSJOKAP-VXGBXAGGSA-N 1 3 212.381 2.352 10 0 BEAEHO CCC[N@H+](C(C)C)[C@H]1[C@H](C)CNC[C@@H]1C ZINC000685950983 538894841 /nfs/dbraw/zinc/89/48/41/538894841.db2.gz KPHRFJLPWKCAEX-ITGUQSILSA-N 1 3 212.381 2.351 10 0 BEAEHO CCC[N@@H+](C(C)C)[C@H]1[C@H](C)CNC[C@@H]1C ZINC000685950983 538894842 /nfs/dbraw/zinc/89/48/42/538894842.db2.gz KPHRFJLPWKCAEX-ITGUQSILSA-N 1 3 212.381 2.351 10 0 BEAEHO CC(C)=CCC[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000584774311 358175130 /nfs/dbraw/zinc/17/51/30/358175130.db2.gz MXABFGWQYFWBQW-CHWSQXEVSA-N 1 3 210.365 2.320 10 0 BEAEHO CC(C)[C@H](N)CC[NH2+]C(C1CC1)C1CC1 ZINC000129237262 491133301 /nfs/dbraw/zinc/13/33/01/491133301.db2.gz DFCAFRHUWZNQAG-GFCCVEGCSA-N 1 3 210.365 2.138 10 0 BEAEHO C[C@H](c1ccccc1)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193600404 358434400 /nfs/dbraw/zinc/43/44/00/358434400.db2.gz XXQYPRWOZKUAMD-YUELXQCFSA-N 1 3 230.355 2.241 10 0 BEAEHO C[C@H](c1ccccc1)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000193600404 358434403 /nfs/dbraw/zinc/43/44/03/358434403.db2.gz XXQYPRWOZKUAMD-YUELXQCFSA-N 1 3 230.355 2.241 10 0 BEAEHO C[C@H](NCC[C@@H]1CCCC[N@@H+]1C)[C@@H]1CCCO1 ZINC000052205534 358776332 /nfs/dbraw/zinc/77/63/32/358776332.db2.gz YDIKTWLMHKGHRG-IHRRRGAJSA-N 1 3 240.391 2.018 10 0 BEAEHO C[C@H](NCC[C@@H]1CCCC[N@H+]1C)[C@@H]1CCCO1 ZINC000052205534 358776335 /nfs/dbraw/zinc/77/63/35/358776335.db2.gz YDIKTWLMHKGHRG-IHRRRGAJSA-N 1 3 240.391 2.018 10 0 BEAEHO CCN(Cc1ccccc1)C[C@@H](C[NH3+])C1CC1 ZINC000306586109 360485271 /nfs/dbraw/zinc/48/52/71/360485271.db2.gz RBYYIMDEBHOZKI-OAHLLOKOSA-N 1 3 232.371 2.493 10 0 BEAEHO C[C@H]([NH2+]CC[C@@H]1CC1(F)F)[C@H]1CCCNC1 ZINC000622044090 370675571 /nfs/dbraw/zinc/67/55/71/370675571.db2.gz UMYWQASWHVYMRA-GARJFASQSA-N 1 3 232.318 2.009 10 0 BEAEHO C[C@H]([NH2+]CC1CC(C)C1)[C@@H]1CCCNC1 ZINC000622044516 370677538 /nfs/dbraw/zinc/67/75/38/370677538.db2.gz IWBTWSACQVMNDR-PYNQCMFNSA-N 1 3 210.365 2.010 10 0 BEAEHO [NH3+]C1CCN([C@@H]2CCc3ccccc32)CC1 ZINC000026514461 181344421 /nfs/dbraw/zinc/34/44/21/181344421.db2.gz WWOHYLBDKWFZGN-CQSZACIVSA-N 1 3 216.328 2.097 10 0 BEAEHO CCC(C)(C)CCN1C[C@H](OC)C[C@@]1(C)C[NH3+] ZINC000630357199 364078994 /nfs/dbraw/zinc/07/89/94/364078994.db2.gz COTQNSZZEDMAQW-OCCSQVGLSA-N 1 3 242.407 2.251 10 0 BEAEHO CO[C@H]1CN(CCC2CCCC2)[C@](C)(C[NH3+])C1 ZINC000630363758 364080562 /nfs/dbraw/zinc/08/05/62/364080562.db2.gz ZIOILAOVMCNSPB-KGLIPLIRSA-N 1 3 240.391 2.005 10 0 BEAEHO CC[C@@H]1[NH2+]CC[C@H]1Nc1ccnc2ccccc21 ZINC000630526791 364213426 /nfs/dbraw/zinc/21/34/26/364213426.db2.gz DPGDVJZHJXAVTF-SWLSCSKDSA-N 1 3 241.338 2.209 10 0 BEAEHO C[C@@H]1CC[C@H](Nc2ccnc3ccccc32)C[NH2+]1 ZINC000630535738 364231451 /nfs/dbraw/zinc/23/14/51/364231451.db2.gz ZMLXRFOZTCIYBW-NEPJUHHUSA-N 1 3 241.338 2.209 10 0 BEAEHO CCCCOCCC[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000574683572 365118573 /nfs/dbraw/zinc/11/85/73/365118573.db2.gz SCUSIQYLQQJZBH-UONOGXRCSA-N 1 3 242.407 2.171 10 0 BEAEHO C[C@@H]1CC(C[NH2+][C@@H]2CCC[C@H](N)C2)C[C@@H](C)O1 ZINC000579613594 366908774 /nfs/dbraw/zinc/90/87/74/366908774.db2.gz VLFJVNQUGBMRPU-MHDGFBEUSA-N 1 3 240.391 2.050 10 0 BEAEHO NC[C@@H]1CCC[C@@H]1[NH+]1CCCCCCC1 ZINC000037158794 181430811 /nfs/dbraw/zinc/43/08/11/181430811.db2.gz NKULTPYSWJDVAE-STQMWFEESA-N 1 3 210.365 2.380 10 0 BEAEHO C[C@H]([NH2+]CCC1(F)CCC1)[C@@H]1CCCNC1 ZINC000581878533 367865735 /nfs/dbraw/zinc/86/57/35/367865735.db2.gz NDBNJWWHDSXGLN-NWDGAFQWSA-N 1 3 228.355 2.246 10 0 BEAEHO CSCCCC[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000566908978 326092829 /nfs/dbraw/zinc/09/28/29/326092829.db2.gz RSTQICKOBVTMNR-NEPJUHHUSA-N 1 3 230.421 2.107 10 0 BEAEHO C[C@H]1C[N@H+](CCC(C)(C)C2CC2)C[C@H]1CN ZINC000631838045 369114616 /nfs/dbraw/zinc/11/46/16/369114616.db2.gz YVLYQWMHUAAIBZ-NWDGAFQWSA-N 1 3 224.392 2.339 10 0 BEAEHO C[C@H]1C[N@@H+](CCC(C)(C)C2CC2)C[C@H]1CN ZINC000631838045 369114619 /nfs/dbraw/zinc/11/46/19/369114619.db2.gz YVLYQWMHUAAIBZ-NWDGAFQWSA-N 1 3 224.392 2.339 10 0 BEAEHO C[C@@H]1CN(Cc2ccc3c(c2)CCC3)C[C@@H]1C[NH3+] ZINC000631837296 372627721 /nfs/dbraw/zinc/62/77/21/372627721.db2.gz ADCWMLSDGJHGNN-WBMJQRKESA-N 1 3 244.382 2.202 10 0 BEAEHO C[C@@H](C[N@@H+]1C[C@@H](C)[C@@H](CN)C1)C(C)(C)C ZINC000631837061 372627944 /nfs/dbraw/zinc/62/79/44/372627944.db2.gz MJDFPDORDOBHLL-WOPDTQHZSA-N 1 3 212.381 2.195 10 0 BEAEHO C[C@@H](C[N@H+]1C[C@@H](C)[C@@H](CN)C1)C(C)(C)C ZINC000631837061 372627947 /nfs/dbraw/zinc/62/79/47/372627947.db2.gz MJDFPDORDOBHLL-WOPDTQHZSA-N 1 3 212.381 2.195 10 0 BEAEHO COc1cccc([C@H](C)N2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000631840136 372636630 /nfs/dbraw/zinc/63/66/30/372636630.db2.gz PWIAYWFXDQKFHQ-SGMGOOAPSA-N 1 3 248.370 2.283 10 0 BEAEHO CCCN(CCC[NH3+])Cc1cccc(OC)c1 ZINC000036731882 169155299 /nfs/dbraw/zinc/15/52/99/169155299.db2.gz ZPQJJJJPMRLNIE-UHFFFAOYSA-N 1 3 236.359 2.256 10 0 BEAEHO CCCN(CCC[NH3+])CCOc1ccccc1 ZINC000044421437 169155975 /nfs/dbraw/zinc/15/59/75/169155975.db2.gz WEOUCNLCXVOGPM-UHFFFAOYSA-N 1 3 236.359 2.126 10 0 BEAEHO CCCN1CC[C@H]([NH2+]CC(C)C)[C@H](C)C1 ZINC000073654041 169209026 /nfs/dbraw/zinc/20/90/26/169209026.db2.gz RRNQJHWAOWCJDL-OLZOCXBDSA-N 1 3 212.381 2.352 10 0 BEAEHO c1ccc(CN2CCC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000076677792 183399889 /nfs/dbraw/zinc/39/98/89/183399889.db2.gz BUXOLSLXVAQEEE-CABCVRRESA-N 1 3 230.355 2.261 10 0 BEAEHO CCC[NH2+][C@H]1CCN(CC(C)C)[C@H](C)C1 ZINC000049709036 169291847 /nfs/dbraw/zinc/29/18/47/169291847.db2.gz ZVUSKHBWKOLQFT-OLZOCXBDSA-N 1 3 212.381 2.495 10 0 BEAEHO CCC[C@@H](C)[N@H+](C)CC1(CNC)CCOCC1 ZINC000052181902 169364341 /nfs/dbraw/zinc/36/43/41/169364341.db2.gz IOSADKUPLYILSZ-CYBMUJFWSA-N 1 3 242.407 2.123 10 0 BEAEHO CCC[C@@H](C)[N@@H+](C)CC1(CNC)CCOCC1 ZINC000052181902 169364342 /nfs/dbraw/zinc/36/43/42/169364342.db2.gz IOSADKUPLYILSZ-CYBMUJFWSA-N 1 3 242.407 2.123 10 0 BEAEHO CCC[C@@H](C)N(C)CC1(C[NH2+]C)CCOCC1 ZINC000052181902 169364343 /nfs/dbraw/zinc/36/43/43/169364343.db2.gz IOSADKUPLYILSZ-CYBMUJFWSA-N 1 3 242.407 2.123 10 0 BEAEHO C[C@H]1[C@@H](C)N(Cc2ccccc2)CC[C@@H]1[NH3+] ZINC000068592798 384003355 /nfs/dbraw/zinc/00/33/55/384003355.db2.gz NWKPWPVTPIKZQR-SCRDCRAPSA-N 1 3 218.344 2.244 10 0 BEAEHO C[C@@H]1[C@@H](C)[C@@H]([NH3+])CCN1Cc1ccccc1 ZINC000068592795 384001498 /nfs/dbraw/zinc/00/14/98/384001498.db2.gz NWKPWPVTPIKZQR-BZPMIXESSA-N 1 3 218.344 2.244 10 0 BEAEHO Cc1ccc2nccc(N3CC[C@@H]([NH3+])C3)c2c1 ZINC000073738634 384021273 /nfs/dbraw/zinc/02/12/73/384021273.db2.gz LAEHGBQGGCPNQI-LLVKDONJSA-N 1 3 227.311 2.081 10 0 BEAEHO C1[C@@H](N[C@H]2CCC[NH2+]CC2)C12CCCC2 ZINC000334591090 384518921 /nfs/dbraw/zinc/51/89/21/384518921.db2.gz KEEGRIMIBOKAII-NWDGAFQWSA-N 1 3 208.349 2.051 10 0 BEAEHO C1[C@@H]([NH2+][C@H]2CCCNCC2)C12CCCC2 ZINC000334591090 384518926 /nfs/dbraw/zinc/51/89/26/384518926.db2.gz KEEGRIMIBOKAII-NWDGAFQWSA-N 1 3 208.349 2.051 10 0 BEAEHO C1[C@H](N[C@H]2CCC[NH2+]CC2)C12CCCC2 ZINC000334591092 384520372 /nfs/dbraw/zinc/52/03/72/384520372.db2.gz KEEGRIMIBOKAII-RYUDHWBXSA-N 1 3 208.349 2.051 10 0 BEAEHO C1[C@H]([NH2+][C@H]2CCCNCC2)C12CCCC2 ZINC000334591092 384520381 /nfs/dbraw/zinc/52/03/81/384520381.db2.gz KEEGRIMIBOKAII-RYUDHWBXSA-N 1 3 208.349 2.051 10 0 BEAEHO C[NH+](C)CCn1cccc1[C@@H](N)c1ccccc1 ZINC000011848777 384618375 /nfs/dbraw/zinc/61/83/75/384618375.db2.gz WLJVCQIISALCSF-HNNXBMFYSA-N 1 3 243.354 2.098 10 0 BEAEHO C[C@@]1([NH2+]C[C@H]2CCCNC2)CC=CCC1 ZINC000334852414 384749438 /nfs/dbraw/zinc/74/94/38/384749438.db2.gz GWFUHOQPCLJMGW-QWHCGFSZSA-N 1 3 208.349 2.074 10 0 BEAEHO CC[C@@H](CNC[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000398293956 384896386 /nfs/dbraw/zinc/89/63/86/384896386.db2.gz NDDFXINAVDENOT-KBPBESRZSA-N 1 3 232.371 2.379 10 0 BEAEHO Cc1ccccc1CNC(C)(C)CC[NH3+] ZINC000258715527 384933480 /nfs/dbraw/zinc/93/34/80/384933480.db2.gz DCMZIEIJMMUXEL-UHFFFAOYSA-N 1 3 206.333 2.212 10 0 BEAEHO C[C@H]([NH3+])CCNCc1ccc(Cl)cc1 ZINC000258769848 384943106 /nfs/dbraw/zinc/94/31/06/384943106.db2.gz NYIAKMHSSQTVKW-VIFPVBQESA-N 1 3 212.724 2.167 10 0 BEAEHO CCc1ccc(CNC(C)(C)CC[NH3+])cc1 ZINC000258874123 384947436 /nfs/dbraw/zinc/94/74/36/384947436.db2.gz PNTWNIGDRZZQED-UHFFFAOYSA-N 1 3 220.360 2.466 10 0 BEAEHO C[C@H](C[NH2+][C@@H]1CCC[C@H]1CCF)CN(C)C ZINC000336733736 385644338 /nfs/dbraw/zinc/64/43/38/385644338.db2.gz GQXPWPNLKYKCOL-FRRDWIJNSA-N 1 3 230.371 2.302 10 0 BEAEHO C[C@@H]([NH2+]C[C@@H](C)CC(F)F)[C@H]1CCCNC1 ZINC000647801107 385809699 /nfs/dbraw/zinc/80/96/99/385809699.db2.gz OBUYLOOQRQVZKU-AXFHLTTASA-N 1 3 234.334 2.255 10 0 BEAEHO C[C@H](C[NH2+][C@@H](C)[C@@H]1CCCNC1)CC(F)F ZINC000647801109 385809823 /nfs/dbraw/zinc/80/98/23/385809823.db2.gz OBUYLOOQRQVZKU-GARJFASQSA-N 1 3 234.334 2.255 10 0 BEAEHO C[C@@H](C[NH2+][C@@H]1CCCNCC1)CC(F)F ZINC000647801459 385812875 /nfs/dbraw/zinc/81/28/75/385812875.db2.gz WIPGMHICPNIOQZ-NXEZZACHSA-N 1 3 220.307 2.009 10 0 BEAEHO FC1(F)CCC[C@H](N[C@H]2CCC[NH2+]CC2)C1 ZINC000335035648 385926653 /nfs/dbraw/zinc/92/66/53/385926653.db2.gz WYFMBSJGGAINBI-QWRGUYRKSA-N 1 3 232.318 2.296 10 0 BEAEHO FC1(F)CCC[C@H]([NH2+][C@H]2CCCNCC2)C1 ZINC000335035648 385926655 /nfs/dbraw/zinc/92/66/55/385926655.db2.gz WYFMBSJGGAINBI-QWRGUYRKSA-N 1 3 232.318 2.296 10 0 BEAEHO Cc1ccc(F)c([C@H](N)CCCC[NH3+])c1F ZINC000575438066 387112187 /nfs/dbraw/zinc/11/21/87/387112187.db2.gz BTODYBRSYWHLBN-SNVBAGLBSA-N 1 3 228.286 2.402 10 0 BEAEHO Cc1ccc(F)c([C@@H](N)CCCC[NH3+])c1F ZINC000575437954 387113296 /nfs/dbraw/zinc/11/32/96/387113296.db2.gz BTODYBRSYWHLBN-JTQLQIEISA-N 1 3 228.286 2.402 10 0 BEAEHO COc1ccc(Cl)cc1[C@@H](N)CCCC[NH3+] ZINC000575439645 387126405 /nfs/dbraw/zinc/12/64/05/387126405.db2.gz SXNNJZPHVXZDHE-NSHDSACASA-N 1 3 242.750 2.477 10 0 BEAEHO Cc1ccc([C@@H](N)CC[NH3+])cc1Br ZINC000575440139 387127309 /nfs/dbraw/zinc/12/73/09/387127309.db2.gz JVAVVEUUQWPYEB-JTQLQIEISA-N 1 3 243.148 2.106 10 0 BEAEHO N[C@@H](CCCC[NH3+])c1cc(F)ccc1F ZINC000575440135 387127544 /nfs/dbraw/zinc/12/75/44/387127544.db2.gz JNDWJDYNBNDFRB-NSHDSACASA-N 1 3 214.259 2.094 10 0 BEAEHO Cc1ccc(CCN[C@H](C)[C@H]2CCC[NH2+]C2)o1 ZINC000572474136 387189137 /nfs/dbraw/zinc/18/91/37/387189137.db2.gz WCTWXYMJIZIYDT-OLZOCXBDSA-N 1 3 236.359 2.108 10 0 BEAEHO Cc1ccc(CC[NH2+][C@H](C)[C@H]2CCCNC2)o1 ZINC000572474136 387189145 /nfs/dbraw/zinc/18/91/45/387189145.db2.gz WCTWXYMJIZIYDT-OLZOCXBDSA-N 1 3 236.359 2.108 10 0 BEAEHO CC(C)CCOCCN[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000514872175 387306749 /nfs/dbraw/zinc/30/67/49/387306749.db2.gz CNIYRLDRPMSTKJ-KGLIPLIRSA-N 1 3 242.407 2.027 10 0 BEAEHO CC(C)CCOCC[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000514872175 387306755 /nfs/dbraw/zinc/30/67/55/387306755.db2.gz CNIYRLDRPMSTKJ-KGLIPLIRSA-N 1 3 242.407 2.027 10 0 BEAEHO C[C@H](NCCC[NH3+])c1cccc(OC(F)F)c1 ZINC000037713474 387564776 /nfs/dbraw/zinc/56/47/76/387564776.db2.gz VSDPLROUQLTAIB-VIFPVBQESA-N 1 3 244.285 2.287 10 0 BEAEHO c1ccc(OCCCN[C@H]2CCC[NH2+]CC2)cc1 ZINC000129225374 387765196 /nfs/dbraw/zinc/76/51/96/387765196.db2.gz PLMMLKLDBPUUQK-AWEZNQCLSA-N 1 3 248.370 2.187 10 0 BEAEHO c1ccc(OCCC[NH2+][C@H]2CCCNCC2)cc1 ZINC000129225374 387765201 /nfs/dbraw/zinc/76/52/01/387765201.db2.gz PLMMLKLDBPUUQK-AWEZNQCLSA-N 1 3 248.370 2.187 10 0 BEAEHO C[C@H](CN[C@@H](C)[C@H]1CC[NH2+]C1)Oc1ccccc1 ZINC000422978138 387788470 /nfs/dbraw/zinc/78/84/70/387788470.db2.gz HAXGQRBKHSTUBN-RDBSUJKOSA-N 1 3 248.370 2.042 10 0 BEAEHO C[C@H](c1ccccc1F)[N@H+]1C[C@H]2CN(C)C[C@H]2C1 ZINC000193621542 387858056 /nfs/dbraw/zinc/85/80/56/387858056.db2.gz GICFMGNUNCDREB-UPJWGTAASA-N 1 3 248.345 2.380 10 0 BEAEHO C[C@H](c1ccccc1F)[N@@H+]1C[C@H]2CN(C)C[C@H]2C1 ZINC000193621542 387858061 /nfs/dbraw/zinc/85/80/61/387858061.db2.gz GICFMGNUNCDREB-UPJWGTAASA-N 1 3 248.345 2.380 10 0 BEAEHO C[C@H](CC[NH2+][C@H]1CCNC1)CC(C)(C)C ZINC000423061711 387866789 /nfs/dbraw/zinc/86/67/89/387866789.db2.gz RKFLEJGQVQGVBM-NEPJUHHUSA-N 1 3 212.381 2.400 10 0 BEAEHO C([NH2+]C1CCNCC1)[C@@H]1CC2CCC1CC2 ZINC000335077907 388448387 /nfs/dbraw/zinc/44/83/87/388448387.db2.gz PXMJIOYUUJORNV-BPCQOVAHSA-N 1 3 222.376 2.154 10 0 BEAEHO CSC1(C[NH2+][C@@H](C)[C@H]2CCCNC2)CCC1 ZINC000517122844 388537846 /nfs/dbraw/zinc/53/78/46/388537846.db2.gz LBRFARMCBXBXEM-RYUDHWBXSA-N 1 3 242.432 2.250 10 0 BEAEHO N[C@H](CCC[NH3+])c1ccccc1OC(F)F ZINC000575438276 388622621 /nfs/dbraw/zinc/62/26/21/388622621.db2.gz GXDBOEOYNIOGAE-SECBINFHSA-N 1 3 230.258 2.027 10 0 BEAEHO C[C@@H](NCCCOc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400455840 533387810 /nfs/dbraw/zinc/38/78/10/533387810.db2.gz PXOSVAOOPGUQJY-ZIAGYGMSSA-N 1 3 248.370 2.043 10 0 BEAEHO CC(C)N1CCN(c2ccccc2[C@@H](C)[NH3+])CC1 ZINC000036190046 132340792 /nfs/dbraw/zinc/34/07/92/132340792.db2.gz XOSUZPMBHCXDRV-CYBMUJFWSA-N 1 3 247.386 2.237 10 0 BEAEHO c1cc(N2CCC[C@@H](C[NH2+]C3CC3)C2)ccn1 ZINC000053702274 132363165 /nfs/dbraw/zinc/36/31/65/132363165.db2.gz PDRZXTRYMTZXEZ-LBPRGKRZSA-N 1 3 231.343 2.050 10 0 BEAEHO C[C@@H]1CCC[C@@H](N(C)C[C@@]2(C)CC[NH2+]C2)C1 ZINC000219860605 134292423 /nfs/dbraw/zinc/29/24/23/134292423.db2.gz OIVQKZLRNVMPBW-MCIONIFRSA-N 1 3 224.392 2.497 10 0 BEAEHO CC(C)C[C@H](CO)[NH2+][C@@H]1C[C@@H](N)c2ccccc21 ZINC000227539325 134382689 /nfs/dbraw/zinc/38/26/89/134382689.db2.gz FJYHVTRNMJTIEA-KCPJHIHWSA-N 1 3 248.370 2.128 10 0 BEAEHO CCC[C@@H]1C[C@@H]1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000252728710 135102262 /nfs/dbraw/zinc/10/22/62/135102262.db2.gz CKUZDPSZJNLYIS-RQJABVFESA-N 1 3 222.376 2.391 10 0 BEAEHO CCC[C@@H]1C[C@@H]1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000252728710 135102264 /nfs/dbraw/zinc/10/22/64/135102264.db2.gz CKUZDPSZJNLYIS-RQJABVFESA-N 1 3 222.376 2.391 10 0 BEAEHO CC1(C)C[N@H+](CCc2ccccc2)CC[C@H]1N ZINC000259383214 135142465 /nfs/dbraw/zinc/14/24/65/135142465.db2.gz WHWSWGVRLHWJSG-CQSZACIVSA-N 1 3 232.371 2.288 10 0 BEAEHO CC1(C)C[N@@H+](CCc2ccccc2)CC[C@H]1N ZINC000259383214 135142466 /nfs/dbraw/zinc/14/24/66/135142466.db2.gz WHWSWGVRLHWJSG-CQSZACIVSA-N 1 3 232.371 2.288 10 0 BEAEHO [NH3+]C[C@@H]1CCN(C[C@H]2CCCCC2(F)F)C1 ZINC000381700614 397802428 /nfs/dbraw/zinc/80/24/28/397802428.db2.gz OSIAREHDRLOPEC-WDEREUQCSA-N 1 3 232.318 2.093 10 0 BEAEHO NC[C@@H]1CC[N@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000381700614 397802429 /nfs/dbraw/zinc/80/24/29/397802429.db2.gz OSIAREHDRLOPEC-WDEREUQCSA-N 1 3 232.318 2.093 10 0 BEAEHO NC[C@@H]1CC[N@@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000381700614 397802432 /nfs/dbraw/zinc/80/24/32/397802432.db2.gz OSIAREHDRLOPEC-WDEREUQCSA-N 1 3 232.318 2.093 10 0 BEAEHO CC(C)c1ccc(C[C@@H](C[NH3+])CN(C)C)cc1 ZINC000011799991 167599042 /nfs/dbraw/zinc/59/90/42/167599042.db2.gz QMKAMLSHPPZVTP-AWEZNQCLSA-N 1 3 234.387 2.489 10 0 BEAEHO C[C@H](CN[C@H](C)[C@H]1CCC[NH2+]C1)c1ccccn1 ZINC000656783025 411359631 /nfs/dbraw/zinc/35/96/31/411359631.db2.gz MCDMYQKOMQHFDT-MCIONIFRSA-N 1 3 247.386 2.163 10 0 BEAEHO C[C@H](C[NH2+][C@H](C)[C@H]1CCCNC1)c1ccccn1 ZINC000656783025 411359634 /nfs/dbraw/zinc/35/96/34/411359634.db2.gz MCDMYQKOMQHFDT-MCIONIFRSA-N 1 3 247.386 2.163 10 0 BEAEHO CCNCC[C@H](C)[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000052545470 170116987 /nfs/dbraw/zinc/11/69/87/170116987.db2.gz GIGOUTLMKHMNRI-STQMWFEESA-N 1 3 242.407 2.121 10 0 BEAEHO CCNCC[C@H](C)[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000052545470 170116989 /nfs/dbraw/zinc/11/69/89/170116989.db2.gz GIGOUTLMKHMNRI-STQMWFEESA-N 1 3 242.407 2.121 10 0 BEAEHO CC[NH2+]CC[C@H](C)N(CCOC)[C@@H](C)C1CC1 ZINC000052545470 170116991 /nfs/dbraw/zinc/11/69/91/170116991.db2.gz GIGOUTLMKHMNRI-STQMWFEESA-N 1 3 242.407 2.121 10 0 BEAEHO CC[NH2+]C[C@@H](OCCN1CCCCC1)C(C)C ZINC000052670620 170120012 /nfs/dbraw/zinc/12/00/12/170120012.db2.gz GALHMWZZGZMGPZ-CQSZACIVSA-N 1 3 242.407 2.123 10 0 BEAEHO CC[NH2+]C[C@@](C)(CC)CN(C)C1CCOCC1 ZINC000051218324 170120621 /nfs/dbraw/zinc/12/06/21/170120621.db2.gz CEDRBKAEWKCVJX-CQSZACIVSA-N 1 3 242.407 2.123 10 0 BEAEHO CCNC[C@@](C)(CC)C[N@H+](C)C1CCOCC1 ZINC000051218324 170120623 /nfs/dbraw/zinc/12/06/23/170120623.db2.gz CEDRBKAEWKCVJX-CQSZACIVSA-N 1 3 242.407 2.123 10 0 BEAEHO CCNC[C@@](C)(CC)C[N@@H+](C)C1CCOCC1 ZINC000051218324 170120625 /nfs/dbraw/zinc/12/06/25/170120625.db2.gz CEDRBKAEWKCVJX-CQSZACIVSA-N 1 3 242.407 2.123 10 0 BEAEHO CC[NH2+]C[C@@]1(CN(C)[C@H](C)CC)CCCOC1 ZINC000104308981 170121152 /nfs/dbraw/zinc/12/11/52/170121152.db2.gz YHNMUBVRELQJDM-ZIAGYGMSSA-N 1 3 242.407 2.123 10 0 BEAEHO CCNC[C@@]1(C[N@H+](C)[C@H](C)CC)CCCOC1 ZINC000104308981 170121154 /nfs/dbraw/zinc/12/11/54/170121154.db2.gz YHNMUBVRELQJDM-ZIAGYGMSSA-N 1 3 242.407 2.123 10 0 BEAEHO CCNC[C@@]1(C[N@@H+](C)[C@H](C)CC)CCCOC1 ZINC000104308981 170121157 /nfs/dbraw/zinc/12/11/57/170121157.db2.gz YHNMUBVRELQJDM-ZIAGYGMSSA-N 1 3 242.407 2.123 10 0 BEAEHO CCNCc1cnc(CC[NH+](CC)CC)s1 ZINC000040996608 170130119 /nfs/dbraw/zinc/13/01/19/170130119.db2.gz CEQUNFDUFGYERB-UHFFFAOYSA-N 1 3 241.404 2.137 10 0 BEAEHO CC[NH2+][C@@H]1CCCC[C@H]1CN1CCCC1 ZINC000060720684 170150811 /nfs/dbraw/zinc/15/08/11/170150811.db2.gz VBORMLQNBVKEGY-QWHCGFSZSA-N 1 3 210.365 2.251 10 0 BEAEHO CCOCCCN1CC[C@@H](CC)[NH2+]C[C@@H](C)C1 ZINC000049665160 170374451 /nfs/dbraw/zinc/37/44/51/170374451.db2.gz ZXUCZIOMPLRTAA-ZIAGYGMSSA-N 1 3 242.407 2.123 10 0 BEAEHO CC[C@@H](C)N(C)Cc1ccc(F)cc1C(N)=[NH2+] ZINC000071267638 170725912 /nfs/dbraw/zinc/72/59/12/170725912.db2.gz PQKVKCDIFKJNHZ-SECBINFHSA-N 1 3 237.322 2.340 10 0 BEAEHO CC[C@@H]1CN(CCC[C@@H]2CCCC[NH2+]2)CCO1 ZINC000050952673 171080094 /nfs/dbraw/zinc/08/00/94/171080094.db2.gz HJJVVVDVPHEUIJ-UONOGXRCSA-N 1 3 240.391 2.020 10 0 BEAEHO CC[C@@](C)(C[NH2+]C)CN(CCOC)CC(C)C ZINC000051251319 171166517 /nfs/dbraw/zinc/16/65/17/171166517.db2.gz MKTNNOLETAIZLO-AWEZNQCLSA-N 1 3 244.423 2.227 10 0 BEAEHO C[C@H]([NH2+]C[C@@H]1CCC[C@@H]2C[C@@H]21)[C@H]1CCCNC1 ZINC000665263710 412206852 /nfs/dbraw/zinc/20/68/52/412206852.db2.gz SNBHHYWRNNDIMP-AICCOOGYSA-N 1 3 236.403 2.400 10 0 BEAEHO CN1CCCC[C@H]1CC[NH2+]CC[C@@H]1CCCO1 ZINC000052205759 173007440 /nfs/dbraw/zinc/00/74/40/173007440.db2.gz WEBZJMYVZQPOHN-KBPBESRZSA-N 1 3 240.391 2.020 10 0 BEAEHO CN1CCC[C@@H]1CC[NH2+]Cc1ccccc1 ZINC000034017282 173026821 /nfs/dbraw/zinc/02/68/21/173026821.db2.gz BOMGTDONYIEQMW-CQSZACIVSA-N 1 3 218.344 2.261 10 0 BEAEHO C[N@@H+]1CC[C@H](CN[C@@H]2CCc3ccccc32)C1 ZINC000037646158 173147416 /nfs/dbraw/zinc/14/74/16/173147416.db2.gz PPJNBJFARYDRJT-IUODEOHRSA-N 1 3 230.355 2.215 10 0 BEAEHO C[N@H+]1CC[C@H](CN[C@@H]2CCc3ccccc32)C1 ZINC000037646158 173147418 /nfs/dbraw/zinc/14/74/18/173147418.db2.gz PPJNBJFARYDRJT-IUODEOHRSA-N 1 3 230.355 2.215 10 0 BEAEHO C[NH2+]C1CCN(C[C@H]2CC=CCC2)CC1 ZINC000045630712 173322879 /nfs/dbraw/zinc/32/28/79/173322879.db2.gz XLDLUWVYKDDWDR-LBPRGKRZSA-N 1 3 208.349 2.027 10 0 BEAEHO CNC1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000045630712 173322880 /nfs/dbraw/zinc/32/28/80/173322880.db2.gz XLDLUWVYKDDWDR-LBPRGKRZSA-N 1 3 208.349 2.027 10 0 BEAEHO CNC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000037255826 173324212 /nfs/dbraw/zinc/32/42/12/173324212.db2.gz WGPKQIOLQSLSIN-YPMHNXCESA-N 1 3 210.365 2.249 10 0 BEAEHO C[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1 ZINC000037255826 173324215 /nfs/dbraw/zinc/32/42/15/173324215.db2.gz WGPKQIOLQSLSIN-YPMHNXCESA-N 1 3 210.365 2.249 10 0 BEAEHO C[NH2+]CC[C@H](C)N1CC[C@H](c2ccccc2)C1 ZINC000052373070 173358469 /nfs/dbraw/zinc/35/84/69/173358469.db2.gz GZAMFGQAVQNIBB-ZFWWWQNUSA-N 1 3 232.371 2.474 10 0 BEAEHO CNC[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000040592275 173368009 /nfs/dbraw/zinc/36/80/09/173368009.db2.gz WJTNXAMNMIOTQZ-LBPRGKRZSA-N 1 3 210.365 2.251 10 0 BEAEHO CNC[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000040592275 173368010 /nfs/dbraw/zinc/36/80/10/173368010.db2.gz WJTNXAMNMIOTQZ-LBPRGKRZSA-N 1 3 210.365 2.251 10 0 BEAEHO COC1CCN([C@]2(C[NH3+])CCC[C@H](C)C2)CC1 ZINC000037265982 174032283 /nfs/dbraw/zinc/03/22/83/174032283.db2.gz BKRRVUJICLAIMI-GXTWGEPZSA-N 1 3 240.391 2.005 10 0 BEAEHO COCC[N@H+](CCCN)C1CCCCCC1 ZINC000036883488 174291267 /nfs/dbraw/zinc/29/12/67/174291267.db2.gz DMEHDONGKRYVFU-UHFFFAOYSA-N 1 3 228.380 2.006 10 0 BEAEHO COCC[N@@H+](CCCN)C1CCCCCC1 ZINC000036883488 174291269 /nfs/dbraw/zinc/29/12/69/174291269.db2.gz DMEHDONGKRYVFU-UHFFFAOYSA-N 1 3 228.380 2.006 10 0 BEAEHO COCCN(C[C@H]([NH3+])C(C)(C)C)[C@@H](C)C1CC1 ZINC000042616199 174297351 /nfs/dbraw/zinc/29/73/51/174297351.db2.gz QHZAAOJWXORWBW-AAEUAGOBSA-N 1 3 242.407 2.107 10 0 BEAEHO COc1ccc(C)cc1[C@@H](CCC[NH3+])N(C)C ZINC000019673880 175079518 /nfs/dbraw/zinc/07/95/18/175079518.db2.gz VSPQCHPSQIJHTB-CYBMUJFWSA-N 1 3 236.359 2.345 10 0 BEAEHO COc1cccc([C@H](C)N2C[C@H](C[NH3+])C[C@@H]2C)c1 ZINC000131456343 175292412 /nfs/dbraw/zinc/29/24/12/175292412.db2.gz MHULZIDFKNLKME-AVGNSLFASA-N 1 3 248.370 2.425 10 0 BEAEHO C[C@H](CC[NH3+])N(C)[C@@H](C)c1ccccc1 ZINC000049813582 176020395 /nfs/dbraw/zinc/02/03/95/176020395.db2.gz IBPQXMMTWHMKRY-NEPJUHHUSA-N 1 3 206.333 2.417 10 0 BEAEHO C[C@@H](c1ccccc1)[N@@H+]1CCNC[C@@H](C)C1 ZINC000049661332 176022343 /nfs/dbraw/zinc/02/23/43/176022343.db2.gz HTXVCTKKWFBJTI-OLZOCXBDSA-N 1 3 218.344 2.289 10 0 BEAEHO C[C@@H](c1ccccc1)[N@H+]1CCNC[C@@H](C)C1 ZINC000049661332 176022344 /nfs/dbraw/zinc/02/23/44/176022344.db2.gz HTXVCTKKWFBJTI-OLZOCXBDSA-N 1 3 218.344 2.289 10 0 BEAEHO C[C@@H]1CCCC[C@H]1[NH+]1CCCNCCC1 ZINC000049665318 176086741 /nfs/dbraw/zinc/08/67/41/176086741.db2.gz WDNUUNHKJGCJIW-CHWSQXEVSA-N 1 3 210.365 2.251 10 0 BEAEHO C[C@@H]1CCCN1Cc1ccc(C[NH3+])cc1F ZINC000037910073 176109063 /nfs/dbraw/zinc/10/90/63/176109063.db2.gz CNWRFKAZELTYJW-SNVBAGLBSA-N 1 3 222.307 2.269 10 0 BEAEHO C[C@@H]1CN(Cc2ccccc2)[C@H](C)C[C@@H]1[NH3+] ZINC000068592715 176305926 /nfs/dbraw/zinc/30/59/26/176305926.db2.gz NJDHZADSNKQAJW-BZPMIXESSA-N 1 3 218.344 2.244 10 0 BEAEHO C[C@H](c1cccs1)N1CCC[C@H](C[NH3+])C1 ZINC000044527593 177049127 /nfs/dbraw/zinc/04/91/27/177049127.db2.gz MIHDNGGEPCMZHF-GHMZBOCLSA-N 1 3 224.373 2.480 10 0 BEAEHO C[C@H](c1ccco1)N1CCC(C[NH3+])CC1 ZINC000044511677 177049445 /nfs/dbraw/zinc/04/94/45/177049445.db2.gz DUOVFPUXKXCHPJ-SNVBAGLBSA-N 1 3 208.305 2.011 10 0 BEAEHO C[C@H]1CCCCN1Cc1cccc(C(N)=[NH2+])c1 ZINC000019482635 177077139 /nfs/dbraw/zinc/07/71/39/177077139.db2.gz ZILRBMXBUYMYDY-NSHDSACASA-N 1 3 231.343 2.345 10 0 BEAEHO C[C@H]1CCCN(C[C@@H](C[NH3+])c2ccccc2)C1 ZINC000035731289 177099210 /nfs/dbraw/zinc/09/92/10/177099210.db2.gz BKHQVEDNCZWDCA-DZGCQCFKSA-N 1 3 232.371 2.461 10 0 BEAEHO C[C@H]1CCC[N@H+](C[C@@H]2CCCC[C@@H]2N)C1 ZINC000058081467 177100495 /nfs/dbraw/zinc/10/04/95/177100495.db2.gz ROEZKSQLMWMKKZ-AVGNSLFASA-N 1 3 210.365 2.236 10 0 BEAEHO C[C@H]1CCC[N@@H+](C[C@@H]2CCCC[C@@H]2N)C1 ZINC000058081467 177100497 /nfs/dbraw/zinc/10/04/97/177100497.db2.gz ROEZKSQLMWMKKZ-AVGNSLFASA-N 1 3 210.365 2.236 10 0 BEAEHO C[C@H]1CCCN(Cc2cccc(C(N)=[NH2+])c2)C1 ZINC000019479780 177102498 /nfs/dbraw/zinc/10/24/98/177102498.db2.gz JCGWXAHNHDWHOL-NSHDSACASA-N 1 3 231.343 2.203 10 0 BEAEHO C[C@H]1CCC[C@@H]([NH+]2CCCNCCC2)C1 ZINC000049665923 177121294 /nfs/dbraw/zinc/12/12/94/177121294.db2.gz YLBNJPUCWCPLDD-QWHCGFSZSA-N 1 3 210.365 2.251 10 0 BEAEHO C[C@H]1[C@H]([NH2+]C2CCNCC2)CCC[C@@H]1C ZINC000038040604 177123232 /nfs/dbraw/zinc/12/32/32/177123232.db2.gz GLILUBLVMICMFH-DMDPSCGWSA-N 1 3 210.365 2.153 10 0 BEAEHO C[C@H]1CCC[C@H](C)[NH+]1C[C@@H]1CCCNC1 ZINC000019507013 177132022 /nfs/dbraw/zinc/13/20/22/177132022.db2.gz YTQFOZSUKFBQCQ-RWMBFGLXSA-N 1 3 210.365 2.249 10 0 BEAEHO C[C@@H]1CN[C@@H](C)CC[N@H+](CC2CCC2)C1 ZINC000044390313 177158103 /nfs/dbraw/zinc/15/81/03/177158103.db2.gz VXONAOUWCMQCJO-NEPJUHHUSA-N 1 3 210.365 2.106 10 0 BEAEHO C[C@@H]1CN[C@@H](C)CC[N@@H+](CC2CCC2)C1 ZINC000044390313 177158105 /nfs/dbraw/zinc/15/81/05/177158105.db2.gz VXONAOUWCMQCJO-NEPJUHHUSA-N 1 3 210.365 2.106 10 0 BEAEHO C[C@@H]1CN[C@@H](C)CC[N@H+](CC2CCCC2)C1 ZINC000049666017 177158958 /nfs/dbraw/zinc/15/89/58/177158958.db2.gz DZXQOSJWCUSAPL-OLZOCXBDSA-N 1 3 224.392 2.497 10 0 BEAEHO C[C@@H]1CN[C@@H](C)CC[N@@H+](CC2CCCC2)C1 ZINC000049666017 177158959 /nfs/dbraw/zinc/15/89/59/177158959.db2.gz DZXQOSJWCUSAPL-OLZOCXBDSA-N 1 3 224.392 2.497 10 0 BEAEHO C[C@@H](c1ccccc1)[N@@H+]1CCN[C@@H](C)CC1 ZINC000049661339 177169630 /nfs/dbraw/zinc/16/96/30/177169630.db2.gz VKPFDCPOIHVGGD-STQMWFEESA-N 1 3 218.344 2.431 10 0 BEAEHO C[C@@H](c1ccccc1)[N@H+]1CCN[C@@H](C)CC1 ZINC000049661339 177169631 /nfs/dbraw/zinc/16/96/31/177169631.db2.gz VKPFDCPOIHVGGD-STQMWFEESA-N 1 3 218.344 2.431 10 0 BEAEHO C[C@H]1CNCCC[N@H+](CCC2CCCC2)C1 ZINC000049666900 177281906 /nfs/dbraw/zinc/28/19/06/177281906.db2.gz SRSXRLSTGHWAEB-ZDUSSCGKSA-N 1 3 224.392 2.498 10 0 BEAEHO C[C@H]1CNCCC[N@@H+](CCC2CCCC2)C1 ZINC000049666900 177281907 /nfs/dbraw/zinc/28/19/07/177281907.db2.gz SRSXRLSTGHWAEB-ZDUSSCGKSA-N 1 3 224.392 2.498 10 0 BEAEHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2occc2CN)C1 ZINC000052420646 177315500 /nfs/dbraw/zinc/31/55/00/177315500.db2.gz YPJLCHKVUMRXSG-PHIMTYICSA-N 1 3 222.332 2.216 10 0 BEAEHO C[C@@H]1C[C@H](C)C[N@H+](Cc2occc2CN)C1 ZINC000052420646 177315501 /nfs/dbraw/zinc/31/55/01/177315501.db2.gz YPJLCHKVUMRXSG-PHIMTYICSA-N 1 3 222.332 2.216 10 0 BEAEHO C[C@H]1C[C@H](C)C[NH+](CC[C@@H]2CCCCN2)C1 ZINC000026515081 177358690 /nfs/dbraw/zinc/35/86/90/177358690.db2.gz DFIGHHKRSRRDCH-IHRRRGAJSA-N 1 3 224.392 2.497 10 0 BEAEHO C[C@H]1C[C@H](C)CN(CC[C@@H]2CCCC[NH2+]2)C1 ZINC000026515081 177358691 /nfs/dbraw/zinc/35/86/91/177358691.db2.gz DFIGHHKRSRRDCH-IHRRRGAJSA-N 1 3 224.392 2.497 10 0 BEAEHO Cc1cccc(CCN[C@@H](C)[C@@H]2CC[NH2+]C2)c1 ZINC000400347719 226341310 /nfs/dbraw/zinc/34/13/10/226341310.db2.gz IFXOHRJNOLCYLI-DZGCQCFKSA-N 1 3 232.371 2.125 10 0 BEAEHO Cc1cc(NC[C@H](C)[NH3+])c2ccccc2n1 ZINC000082575557 487678427 /nfs/dbraw/zinc/67/84/27/487678427.db2.gz ADJXUFVJDFRXEP-VIFPVBQESA-N 1 3 215.300 2.302 10 0 BEAEHO C[C@H](CC1CCC1)[NH2+][C@H]1CCC[C@H]1CN ZINC000666743705 487869576 /nfs/dbraw/zinc/86/95/76/487869576.db2.gz OUARPOHTBFNGAH-WXHSDQCUSA-N 1 3 210.365 2.282 10 0 BEAEHO CC(C)CSCCN[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000562959589 323035304 /nfs/dbraw/zinc/03/53/04/323035304.db2.gz KUAHTPVJSGXZOO-CHWSQXEVSA-N 1 3 244.448 2.353 10 0 BEAEHO CC(C)CSCC[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000562959589 323035305 /nfs/dbraw/zinc/03/53/05/323035305.db2.gz KUAHTPVJSGXZOO-CHWSQXEVSA-N 1 3 244.448 2.353 10 0 BEAEHO CCC(C)(C)C[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000570262391 323054425 /nfs/dbraw/zinc/05/44/25/323054425.db2.gz QHKRNRVBADWGTE-NEPJUHHUSA-N 1 3 212.381 2.400 10 0 BEAEHO CCSCCC[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000570624404 323064788 /nfs/dbraw/zinc/06/47/88/323064788.db2.gz LYDOXDGNPSHXNS-NWDGAFQWSA-N 1 3 230.421 2.107 10 0 BEAEHO C[C@H]([NH2+]C[C@@H]1CCCCS1)[C@H]1CCCNC1 ZINC000566090825 325992720 /nfs/dbraw/zinc/99/27/20/325992720.db2.gz DIBQBMRSTNZAHA-AVGNSLFASA-N 1 3 242.432 2.250 10 0 BEAEHO C[C@H]([NH2+]C[C@H]1CCCSC1)[C@H]1CCCNC1 ZINC000566672543 326072436 /nfs/dbraw/zinc/07/24/36/326072436.db2.gz CXQCNJIMHAXBAS-XQQFMLRXSA-N 1 3 242.432 2.107 10 0 BEAEHO C[C@H](Cc1ccsc1)[NH2+][C@H]1CCC[C@@H]1CN ZINC000084220742 488038622 /nfs/dbraw/zinc/03/86/22/488038622.db2.gz MUNGLKRJUGMNFX-RTXFEEFZSA-N 1 3 238.400 2.396 10 0 BEAEHO C[N@H+](C[C@@H]1CC[C@@H]2C[C@@H]2C1)[C@@H]1CCCNCC1 ZINC000403137055 488115156 /nfs/dbraw/zinc/11/51/56/488115156.db2.gz CBBUDLBWOURMTJ-APIJFGDWSA-N 1 3 236.403 2.497 10 0 BEAEHO C[N@@H+](C[C@@H]1CC[C@@H]2C[C@@H]2C1)[C@@H]1CCCNCC1 ZINC000403137055 488115157 /nfs/dbraw/zinc/11/51/57/488115157.db2.gz CBBUDLBWOURMTJ-APIJFGDWSA-N 1 3 236.403 2.497 10 0 BEAEHO COc1ccc2c(c1)CCC[C@@H]2N(C)CCC[NH3+] ZINC000133721599 491159931 /nfs/dbraw/zinc/15/99/31/491159931.db2.gz BAKXQFROMHRWBK-HNNXBMFYSA-N 1 3 248.370 2.353 10 0 BEAEHO CCCCN1CCC[C@]12C[NH2+]C[C@@H](C)C2 ZINC000757126551 582501412 /nfs/dbraw/zinc/50/14/12/582501412.db2.gz GCLUMCHJSSWNID-STQMWFEESA-N 1 3 210.365 2.251 10 0 BEAEHO CCCC[N@@H+]1CCC[C@]12CNC[C@@H](C)C2 ZINC000757126551 582501414 /nfs/dbraw/zinc/50/14/14/582501414.db2.gz GCLUMCHJSSWNID-STQMWFEESA-N 1 3 210.365 2.251 10 0 BEAEHO CCCC[N@H+]1CCC[C@]12CNC[C@@H](C)C2 ZINC000757126551 582501416 /nfs/dbraw/zinc/50/14/16/582501416.db2.gz GCLUMCHJSSWNID-STQMWFEESA-N 1 3 210.365 2.251 10 0 BEAEHO CCCCN1CCC[C@@]12C[NH2+]C[C@@H](C)C2 ZINC000757126546 582501593 /nfs/dbraw/zinc/50/15/93/582501593.db2.gz GCLUMCHJSSWNID-QWHCGFSZSA-N 1 3 210.365 2.251 10 0 BEAEHO CCCC[N@@H+]1CCC[C@@]12CNC[C@@H](C)C2 ZINC000757126546 582501595 /nfs/dbraw/zinc/50/15/95/582501595.db2.gz GCLUMCHJSSWNID-QWHCGFSZSA-N 1 3 210.365 2.251 10 0 BEAEHO CCCC[N@H+]1CCC[C@@]12CNC[C@@H](C)C2 ZINC000757126546 582501596 /nfs/dbraw/zinc/50/15/96/582501596.db2.gz GCLUMCHJSSWNID-QWHCGFSZSA-N 1 3 210.365 2.251 10 0 BEAEHO C[C@H]1C[NH2+]C[C@@]2(CCCN2CCC2CC2)C1 ZINC000757128224 582502989 /nfs/dbraw/zinc/50/29/89/582502989.db2.gz JMVFACMNFOHGFJ-TZMCWYRMSA-N 1 3 222.376 2.251 10 0 BEAEHO C[C@H]1CNC[C@@]2(CCC[N@@H+]2CCC2CC2)C1 ZINC000757128224 582502991 /nfs/dbraw/zinc/50/29/91/582502991.db2.gz JMVFACMNFOHGFJ-TZMCWYRMSA-N 1 3 222.376 2.251 10 0 BEAEHO C[C@H]1CNC[C@@]2(CCC[N@H+]2CCC2CC2)C1 ZINC000757128224 582502994 /nfs/dbraw/zinc/50/29/94/582502994.db2.gz JMVFACMNFOHGFJ-TZMCWYRMSA-N 1 3 222.376 2.251 10 0 BEAEHO CC(C)[C@H](C)[N@@H+]1CCCC12CCNCC2 ZINC000757133693 582509711 /nfs/dbraw/zinc/50/97/11/582509711.db2.gz UAHTZUZMAFDXND-LBPRGKRZSA-N 1 3 210.365 2.249 10 0 BEAEHO CC(C)[C@H](C)[N@H+]1CCCC12CCNCC2 ZINC000757133693 582509713 /nfs/dbraw/zinc/50/97/13/582509713.db2.gz UAHTZUZMAFDXND-LBPRGKRZSA-N 1 3 210.365 2.249 10 0 BEAEHO CC(C)CN1CCC2(CC1)[NH2+]CC(C)(C)CO2 ZINC000757139595 582519943 /nfs/dbraw/zinc/51/99/43/582519943.db2.gz GZOKYQSHJJMQLB-UHFFFAOYSA-N 1 3 240.391 2.081 10 0 BEAEHO C[C@H](NC[C@@H]1CCCCC1(F)F)[C@@H]1CC[NH2+]C1 ZINC000400391882 533880415 /nfs/dbraw/zinc/88/04/15/533880415.db2.gz NMOSNFXIAQIZTQ-TUAOUCFPSA-N 1 3 246.345 2.400 10 0 BEAEHO CCCCN1CC[C@@H]([NH2+]C2CC2)C[C@H]1C ZINC000252475090 520596622 /nfs/dbraw/zinc/59/66/22/520596622.db2.gz SMBBDDCAEVIFFW-DGCLKSJQSA-N 1 3 210.365 2.391 10 0 BEAEHO CCCC[N@@H+]1CC[C@@H](NC2CC2)C[C@H]1C ZINC000252475090 520596625 /nfs/dbraw/zinc/59/66/25/520596625.db2.gz SMBBDDCAEVIFFW-DGCLKSJQSA-N 1 3 210.365 2.391 10 0 BEAEHO CCCC[N@H+]1CC[C@@H](NC2CC2)C[C@H]1C ZINC000252475090 520596629 /nfs/dbraw/zinc/59/66/29/520596629.db2.gz SMBBDDCAEVIFFW-DGCLKSJQSA-N 1 3 210.365 2.391 10 0 BEAEHO CC(C)CN[C@@H]1c2ccccc2[C@H]2C[NH2+]C[C@H]21 ZINC000503713210 528067517 /nfs/dbraw/zinc/06/75/17/528067517.db2.gz VFTINDXPLPKLQE-RBSFLKMASA-N 1 3 230.355 2.290 10 0 BEAEHO CC[C@H](C[NH2+]C1CCNCC1)CC(F)(F)F ZINC000402663842 529361195 /nfs/dbraw/zinc/36/11/95/529361195.db2.gz LXHYQENXSLQAER-VIFPVBQESA-N 1 3 238.297 2.307 10 0 BEAEHO CCc1cc(OC)ccc1CN1CC[C@H](C[NH3+])C1 ZINC000261768407 536156785 /nfs/dbraw/zinc/15/67/85/536156785.db2.gz DLYQDRYBNAEEKS-GFCCVEGCSA-N 1 3 248.370 2.038 10 0 BEAEHO CCCC[N@@H+]1CCC[C@]12CC[C@@H](C)NC2 ZINC000757124056 582499559 /nfs/dbraw/zinc/49/95/59/582499559.db2.gz BNOUIKAPGMZWBP-CHWSQXEVSA-N 1 3 210.365 2.393 10 0 BEAEHO CCCC[N@H+]1CCC[C@]12CC[C@@H](C)NC2 ZINC000757124056 582499561 /nfs/dbraw/zinc/49/95/61/582499561.db2.gz BNOUIKAPGMZWBP-CHWSQXEVSA-N 1 3 210.365 2.393 10 0 BEAEHO C[C@H](C1CC1)[N@@H+]1CCC[C@@]12CNC[C@@H](C)C2 ZINC000757131239 582505958 /nfs/dbraw/zinc/50/59/58/582505958.db2.gz PXKVBVDERKLGGI-OUCADQQQSA-N 1 3 222.376 2.249 10 0 BEAEHO C[C@H](C1CC1)[N@H+]1CCC[C@@]12CNC[C@@H](C)C2 ZINC000757131239 582505959 /nfs/dbraw/zinc/50/59/59/582505959.db2.gz PXKVBVDERKLGGI-OUCADQQQSA-N 1 3 222.376 2.249 10 0 BEAEHO C[C@H](C1CC1)N1CCC[C@@]12C[NH2+]C[C@@H](C)C2 ZINC000757131239 582505961 /nfs/dbraw/zinc/50/59/61/582505961.db2.gz PXKVBVDERKLGGI-OUCADQQQSA-N 1 3 222.376 2.249 10 0 BEAEHO CC(C)[C@@H](C)[N@@H+]1CCCC12CCNCC2 ZINC000757133678 582509522 /nfs/dbraw/zinc/50/95/22/582509522.db2.gz UAHTZUZMAFDXND-GFCCVEGCSA-N 1 3 210.365 2.249 10 0 BEAEHO CC(C)[C@@H](C)[N@H+]1CCCC12CCNCC2 ZINC000757133678 582509524 /nfs/dbraw/zinc/50/95/24/582509524.db2.gz UAHTZUZMAFDXND-GFCCVEGCSA-N 1 3 210.365 2.249 10 0 BEAEHO C[C@@H]1NCCC[C@@]12CCC[N@@H+]2CCC1CC1 ZINC000757133755 582510440 /nfs/dbraw/zinc/51/04/40/582510440.db2.gz UEEGGKJLMWBYIS-GXTWGEPZSA-N 1 3 222.376 2.393 10 0 BEAEHO C[C@@H]1NCCC[C@@]12CCC[N@H+]2CCC1CC1 ZINC000757133755 582510442 /nfs/dbraw/zinc/51/04/42/582510442.db2.gz UEEGGKJLMWBYIS-GXTWGEPZSA-N 1 3 222.376 2.393 10 0 BEAEHO C[C@@H]1[NH2+]CCC[C@@]12CCCN2CCC1CC1 ZINC000757133755 582510443 /nfs/dbraw/zinc/51/04/43/582510443.db2.gz UEEGGKJLMWBYIS-GXTWGEPZSA-N 1 3 222.376 2.393 10 0 BEAEHO CC(C)[C@H](C)[N@@H+]1CCC[C@]12CNC[C@@H](C)C2 ZINC000757134998 582514342 /nfs/dbraw/zinc/51/43/42/582514342.db2.gz XTUUDHBNECBTHM-IHRRRGAJSA-N 1 3 224.392 2.495 10 0 BEAEHO CC(C)[C@H](C)[N@H+]1CCC[C@]12CNC[C@@H](C)C2 ZINC000757134998 582514344 /nfs/dbraw/zinc/51/43/44/582514344.db2.gz XTUUDHBNECBTHM-IHRRRGAJSA-N 1 3 224.392 2.495 10 0 BEAEHO CC(C)[C@H](C)N1CCC[C@]12C[NH2+]C[C@@H](C)C2 ZINC000757134998 582514345 /nfs/dbraw/zinc/51/43/45/582514345.db2.gz XTUUDHBNECBTHM-IHRRRGAJSA-N 1 3 224.392 2.495 10 0 BEAEHO C[C@@H](C1CCC1)[N@@H+]1CCC[C@]12CCCNC2 ZINC000757126657 586425998 /nfs/dbraw/zinc/42/59/98/586425998.db2.gz GGLPYBCRSVCGPH-JSGCOSHPSA-N 1 3 222.376 2.393 10 0 BEAEHO C[C@@H](C1CCC1)[N@H+]1CCC[C@]12CCCNC2 ZINC000757126657 586425999 /nfs/dbraw/zinc/42/59/99/586425999.db2.gz GGLPYBCRSVCGPH-JSGCOSHPSA-N 1 3 222.376 2.393 10 0 BEAEHO C[C@@H](C1CCC1)N1CCC[C@]12CCC[NH2+]C2 ZINC000757126657 586426001 /nfs/dbraw/zinc/42/60/01/586426001.db2.gz GGLPYBCRSVCGPH-JSGCOSHPSA-N 1 3 222.376 2.393 10 0 BEAEHO CC1(c2ccc([C@H]3CNCC[C@@H]3[NH3+])cc2)CC1 ZINC000757211803 586438992 /nfs/dbraw/zinc/43/89/92/586438992.db2.gz IUGJZYGCLDZVDV-KGLIPLIRSA-N 1 3 230.355 2.142 10 0 BEAEHO CC1(c2ccc([C@H]3C[NH2+]CC[C@@H]3N)cc2)CC1 ZINC000757211803 586438994 /nfs/dbraw/zinc/43/89/94/586438994.db2.gz IUGJZYGCLDZVDV-KGLIPLIRSA-N 1 3 230.355 2.142 10 0 BEAEHO C[C@@H]1CC[C@H](C[NH3+])[C@H](c2cccs2)N1 ZINC000757213452 586439836 /nfs/dbraw/zinc/43/98/36/586439836.db2.gz KHJKMHRGQKGJHK-FXPVBKGRSA-N 1 3 210.346 2.136 10 0 BEAEHO C[C@@H]1CC[C@@H](C[NH3+])[C@H](c2cccs2)N1 ZINC000757213457 586439947 /nfs/dbraw/zinc/43/99/47/586439947.db2.gz KHJKMHRGQKGJHK-WCABBAIRSA-N 1 3 210.346 2.136 10 0 BEAEHO C[C@@H]1C[C@H](C)[C@@H](CN)[C@@H](c2cccc(C=O)c2)[NH2+]1 ZINC000757217909 586441758 /nfs/dbraw/zinc/44/17/58/586441758.db2.gz TZJIIASWNBHJEX-RBDSIQFVSA-N 1 3 246.354 2.133 10 0 BEAEHO C[C@@H]1C[C@H](C)[C@H](CN)[C@@H](c2cccc(C=O)c2)[NH2+]1 ZINC000757217899 586441938 /nfs/dbraw/zinc/44/19/38/586441938.db2.gz TZJIIASWNBHJEX-IDTSFGKNSA-N 1 3 246.354 2.133 10 0 BEAEHO [NH3+][C@H]1CCNC[C@H]1c1cscc1C(F)F ZINC000757235584 586443260 /nfs/dbraw/zinc/44/32/60/586443260.db2.gz LUIPONUDDQMSTF-RCOVLWMOSA-N 1 3 232.299 2.090 10 0 BEAEHO N[C@H]1CC[NH2+]C[C@H]1c1cscc1C(F)F ZINC000757235584 586443261 /nfs/dbraw/zinc/44/32/61/586443261.db2.gz LUIPONUDDQMSTF-RCOVLWMOSA-N 1 3 232.299 2.090 10 0 BEAEHO CC[C@@H]1CCCC[N@@H+]1CCCNC1CC1 ZINC000037478552 711466955 /nfs/dbraw/zinc/46/69/55/711466955.db2.gz LSGKCNZRKRNOQM-CYBMUJFWSA-N 1 3 210.365 2.393 10 0 BEAEHO CC[C@@H]1CCCC[N@H+]1CCCNC1CC1 ZINC000037478552 711466957 /nfs/dbraw/zinc/46/69/57/711466957.db2.gz LSGKCNZRKRNOQM-CYBMUJFWSA-N 1 3 210.365 2.393 10 0 BEAEHO CC[C@@H]1CCCCN1CCC[NH2+]C1CC1 ZINC000037478552 711466958 /nfs/dbraw/zinc/46/69/58/711466958.db2.gz LSGKCNZRKRNOQM-CYBMUJFWSA-N 1 3 210.365 2.393 10 0 BEAEHO C[C@@H]1CNC[C@@H](C)C1[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000685951911 644518779 /nfs/dbraw/zinc/51/87/79/644518779.db2.gz ZAVXHTSGWWHUDN-LPWJVIDDSA-N 1 3 224.392 2.493 10 0 BEAEHO C[C@@H]1CNC[C@@H](C)C1[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000685951911 644518783 /nfs/dbraw/zinc/51/87/83/644518783.db2.gz ZAVXHTSGWWHUDN-LPWJVIDDSA-N 1 3 224.392 2.493 10 0 BEAEHO C[C@@H](N(C)C[C@]1(C)CC[NH2+]C1)C(C)(C)C ZINC000062912004 349496359 /nfs/dbraw/zinc/49/63/59/349496359.db2.gz VHKPDJACYGASJG-DGCLKSJQSA-N 1 3 212.381 2.352 10 0 BEAEHO Cc1cc(CNC[C@@H]2CCC[N@H+](C)C2)c(C)n1C ZINC000052790506 178022550 /nfs/dbraw/zinc/02/25/50/178022550.db2.gz CXMHYJKFWPBBKK-AWEZNQCLSA-N 1 3 249.402 2.073 10 0 BEAEHO Cc1cc(CNC[C@@H]2CCC[N@@H+](C)C2)c(C)n1C ZINC000052790506 178022553 /nfs/dbraw/zinc/02/25/53/178022553.db2.gz CXMHYJKFWPBBKK-AWEZNQCLSA-N 1 3 249.402 2.073 10 0 BEAEHO C[C@@H](NCC1=CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000576742964 365672699 /nfs/dbraw/zinc/67/26/99/365672699.db2.gz MZGURPUZXBAUFC-OCCSQVGLSA-N 1 3 222.376 2.465 10 0 BEAEHO C[NH2+]C[C@H]1CCN(C[C@H]2CCCCC2(F)F)C1 ZINC000381596805 398265875 /nfs/dbraw/zinc/26/58/75/398265875.db2.gz FPLNFIPFJYBLPA-VXGBXAGGSA-N 1 3 246.345 2.353 10 0 BEAEHO CCC[C@@H]1C[C@H]1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000090175112 398270386 /nfs/dbraw/zinc/27/03/86/398270386.db2.gz CKUZDPSZJNLYIS-AAVRWANBSA-N 1 3 222.376 2.391 10 0 BEAEHO CCC[C@@H]1C[C@H]1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000090175112 398270388 /nfs/dbraw/zinc/27/03/88/398270388.db2.gz CKUZDPSZJNLYIS-AAVRWANBSA-N 1 3 222.376 2.391 10 0 BEAEHO C[C@@H]1[C@@H](C)CCC[N@@H+]1CCCNC1CC1 ZINC000050566554 539011186 /nfs/dbraw/zinc/01/11/86/539011186.db2.gz OXFMRIAUDDFZDK-NWDGAFQWSA-N 1 3 210.365 2.249 10 0 BEAEHO C[C@@H]1[C@@H](C)CCC[N@H+]1CCCNC1CC1 ZINC000050566554 539011188 /nfs/dbraw/zinc/01/11/88/539011188.db2.gz OXFMRIAUDDFZDK-NWDGAFQWSA-N 1 3 210.365 2.249 10 0 BEAEHO C[C@@H]1[C@@H](C)CCCN1CCC[NH2+]C1CC1 ZINC000050566554 539011190 /nfs/dbraw/zinc/01/11/90/539011190.db2.gz OXFMRIAUDDFZDK-NWDGAFQWSA-N 1 3 210.365 2.249 10 0 BEAEHO Cc1ncsc1[C@H](N)Cc1cncs1 ZINC000164934095 342858930 /nfs/dbraw/zinc/85/89/30/342858930.db2.gz HOYTYPBHTQFHRR-MRVPVSSYSA-N 1 3 225.342 2.151 10 0 BEAEHO Cc1ncsc1[C@@H](N)Cc1cncs1 ZINC000164934215 342859119 /nfs/dbraw/zinc/85/91/19/342859119.db2.gz HOYTYPBHTQFHRR-QMMMGPOBSA-N 1 3 225.342 2.151 10 0 BEAEHO CC(C)CC(CC(C)C)[NH2+]CCCN ZINC000037713505 342943387 /nfs/dbraw/zinc/94/33/87/342943387.db2.gz KZPVADMNPWEEEU-UHFFFAOYSA-N 1 3 200.370 2.386 10 0 BEAEHO CC(C)N1CC[C@@H](C[NH2+][C@H](C)[C@H]2C[C@H]2C)C1 ZINC000321657773 343503889 /nfs/dbraw/zinc/50/38/89/343503889.db2.gz WHVICIVLOGPDPJ-MQYQWHSLSA-N 1 3 224.392 2.351 10 0 BEAEHO CCSCC[C@@H](C)[NH2+][C@@H]1CCCNCC1 ZINC000133778248 344322247 /nfs/dbraw/zinc/32/22/47/344322247.db2.gz QOFXLVKKIMIDSI-VXGBXAGGSA-N 1 3 230.421 2.250 10 0 BEAEHO C[C@H]1C[C@@H]([NH3+])CN1c1ccnc2ccccc21 ZINC000385175039 344360396 /nfs/dbraw/zinc/36/03/96/344360396.db2.gz GVSNNOBNBMVJQS-WDEREUQCSA-N 1 3 227.311 2.161 10 0 BEAEHO C[C@H]1C[N@H+](CC2CCC(C)CC2)C[C@H]1CN ZINC000634998824 345199323 /nfs/dbraw/zinc/19/93/23/345199323.db2.gz LNMBPUFFIDWKEM-GNRIBBGQSA-N 1 3 224.392 2.339 10 0 BEAEHO C[C@H]1C[N@@H+](CC2CCC(C)CC2)C[C@H]1CN ZINC000634998824 345199327 /nfs/dbraw/zinc/19/93/27/345199327.db2.gz LNMBPUFFIDWKEM-GNRIBBGQSA-N 1 3 224.392 2.339 10 0 BEAEHO CC(F)(F)CCC[NH2+][C@@H]1CCCNCC1 ZINC000390243786 259383710 /nfs/dbraw/zinc/38/37/10/259383710.db2.gz PMRPGIJVVYIYBK-SNVBAGLBSA-N 1 3 220.307 2.154 10 0 BEAEHO CC1(C)CCN(CCC[NH2+]C2CC2)CC1 ZINC000061821237 537904775 /nfs/dbraw/zinc/90/47/75/537904775.db2.gz SMNRROJKSUQCAO-UHFFFAOYSA-N 1 3 210.365 2.251 10 0 BEAEHO CC1(C)CC[NH+](CCCNC2CC2)CC1 ZINC000061821237 537904786 /nfs/dbraw/zinc/90/47/86/537904786.db2.gz SMNRROJKSUQCAO-UHFFFAOYSA-N 1 3 210.365 2.251 10 0 BEAEHO C[C@H](Cc1ccsc1)N[C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400749603 345733701 /nfs/dbraw/zinc/73/37/01/345733701.db2.gz VFRKUTGRAISOEM-MDZLAQPJSA-N 1 3 238.400 2.267 10 0 BEAEHO C[C@H](Cc1ccsc1)N[C@H](C)[C@H]1CC[NH2+]C1 ZINC000400749616 345734269 /nfs/dbraw/zinc/73/42/69/345734269.db2.gz VFRKUTGRAISOEM-WZRBSPASSA-N 1 3 238.400 2.267 10 0 BEAEHO FCC[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000034191894 346222197 /nfs/dbraw/zinc/22/21/97/346222197.db2.gz RGCIBHZTGYXCKV-CQSZACIVSA-N 1 3 236.334 2.068 10 0 BEAEHO Cc1cccc(CN(C)C[C@@H](C)C[NH3+])c1 ZINC000042435682 179065690 /nfs/dbraw/zinc/06/56/90/179065690.db2.gz BQCANXPJJFFOHJ-LBPRGKRZSA-N 1 3 206.333 2.022 10 0 BEAEHO Cc1cccc(C[N@H+]2CCNCC[C@H]2C)c1 ZINC000062609138 179078794 /nfs/dbraw/zinc/07/87/94/179078794.db2.gz YJWFVGCUHPHLIF-CYBMUJFWSA-N 1 3 218.344 2.179 10 0 BEAEHO Cc1cccc(C[N@@H+]2CCNCC[C@H]2C)c1 ZINC000062609138 179078796 /nfs/dbraw/zinc/07/87/96/179078796.db2.gz YJWFVGCUHPHLIF-CYBMUJFWSA-N 1 3 218.344 2.179 10 0 BEAEHO C[C@H](CC(F)(F)F)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000577161773 365848036 /nfs/dbraw/zinc/84/80/36/365848036.db2.gz RAPDVESTPNJPBE-KXUCPTDWSA-N 1 3 238.297 2.305 10 0 BEAEHO Cc1ccccc1C[N@@H+](C)[C@@H]1CCC[C@@H]1N ZINC000042436031 179269797 /nfs/dbraw/zinc/26/97/97/179269797.db2.gz GQXZYQXXBBFNNQ-UONOGXRCSA-N 1 3 218.344 2.307 10 0 BEAEHO Cc1ccccc1C[N@H+](C)[C@@H]1CCC[C@@H]1N ZINC000042436031 179269800 /nfs/dbraw/zinc/26/98/00/179269800.db2.gz GQXZYQXXBBFNNQ-UONOGXRCSA-N 1 3 218.344 2.307 10 0 BEAEHO Cc1ccccc1C[NH2+]C[C@H]1CCN(C)C1 ZINC000037484586 179280854 /nfs/dbraw/zinc/28/08/54/179280854.db2.gz IXMGXTWWTYCGOK-CYBMUJFWSA-N 1 3 218.344 2.036 10 0 BEAEHO Cc1ccccc1CNC[C@H]1CC[N@@H+](C)C1 ZINC000037484586 179280856 /nfs/dbraw/zinc/28/08/56/179280856.db2.gz IXMGXTWWTYCGOK-CYBMUJFWSA-N 1 3 218.344 2.036 10 0 BEAEHO Cc1ccccc1CNC[C@H]1CC[N@H+](C)C1 ZINC000037484586 179280857 /nfs/dbraw/zinc/28/08/57/179280857.db2.gz IXMGXTWWTYCGOK-CYBMUJFWSA-N 1 3 218.344 2.036 10 0 BEAEHO COc1ccccc1[C@@H]1CCCC[N@H+](CCN)C1 ZINC000616604101 350792710 /nfs/dbraw/zinc/79/27/10/350792710.db2.gz ASHXIAXBERZYGY-CYBMUJFWSA-N 1 3 248.370 2.223 10 0 BEAEHO COc1ccccc1[C@@H]1CCCC[N@@H+](CCN)C1 ZINC000616604101 350792713 /nfs/dbraw/zinc/79/27/13/350792713.db2.gz ASHXIAXBERZYGY-CYBMUJFWSA-N 1 3 248.370 2.223 10 0 BEAEHO Cc1ccc([C@H](NCCC[NH3+])C2CC2)cc1 ZINC000037713745 358476717 /nfs/dbraw/zinc/47/67/17/358476717.db2.gz GZSKZTVKJJWWJV-AWEZNQCLSA-N 1 3 218.344 2.385 10 0 BEAEHO C[C@H]([NH3+])CCNc1ccnc2ccccc21 ZINC000063171420 357553028 /nfs/dbraw/zinc/55/30/28/357553028.db2.gz IQZCDSGBHSEGDS-JTQLQIEISA-N 1 3 215.300 2.384 10 0 BEAEHO CCC1CC[NH+](C2[C@H](C)CNC[C@H]2C)CC1 ZINC000685950575 538893986 /nfs/dbraw/zinc/89/39/86/538893986.db2.gz BFSFYMSQRNZHGV-VXGBXAGGSA-N 1 3 224.392 2.352 10 0 BEAEHO CC[C@@H]1CCC[N@@H+](C2[C@H](C)CNC[C@H]2C)C1 ZINC000685950844 538894404 /nfs/dbraw/zinc/89/44/04/538894404.db2.gz FETHWMACROPDLE-JHJVBQTASA-N 1 3 224.392 2.352 10 0 BEAEHO CC[C@@H]1CCC[N@H+](C2[C@H](C)CNC[C@H]2C)C1 ZINC000685950844 538894406 /nfs/dbraw/zinc/89/44/06/538894406.db2.gz FETHWMACROPDLE-JHJVBQTASA-N 1 3 224.392 2.352 10 0 BEAEHO C[C@H]1CNC[C@H](C)C1[NH+]1CCC(C)(C)CC1 ZINC000685950805 538894844 /nfs/dbraw/zinc/89/48/44/538894844.db2.gz DJSOQFFOTXNLLN-RYUDHWBXSA-N 1 3 224.392 2.352 10 0 BEAEHO C[C@@H]1CNC[C@H](C)[C@H]1[N@@H+]1CCC2(CCC2)C1 ZINC000685951473 538895138 /nfs/dbraw/zinc/89/51/38/538895138.db2.gz VHIJIINIUUZUBS-ITGUQSILSA-N 1 3 222.376 2.106 10 0 BEAEHO C[C@@H]1CNC[C@H](C)[C@H]1[N@H+]1CCC2(CCC2)C1 ZINC000685951473 538895139 /nfs/dbraw/zinc/89/51/39/538895139.db2.gz VHIJIINIUUZUBS-ITGUQSILSA-N 1 3 222.376 2.106 10 0 BEAEHO C[C@@H](N(C)C[C@@]1(C)CC[NH2+]C1)C(C)(C)C ZINC000219863013 358014517 /nfs/dbraw/zinc/01/45/17/358014517.db2.gz VHKPDJACYGASJG-YPMHNXCESA-N 1 3 212.381 2.352 10 0 BEAEHO C[C@]1(CN2CC[C@@H](c3ccccc3)C2)CC[NH2+]C1 ZINC000219865247 134292251 /nfs/dbraw/zinc/29/22/51/134292251.db2.gz MNRPAPMXGASSBW-CVEARBPZSA-N 1 3 244.382 2.476 10 0 BEAEHO C[C@H](CC[NH3+])Nc1ccnc2ccccc21 ZINC000134272187 358784530 /nfs/dbraw/zinc/78/45/30/358784530.db2.gz WPFXJDAIGGQONV-SNVBAGLBSA-N 1 3 215.300 2.384 10 0 BEAEHO C([NH2+][C@@H]1CCCNCC1)[C@@H]1CCCC12CC2 ZINC000629553924 361440377 /nfs/dbraw/zinc/44/03/77/361440377.db2.gz DSWCCZXQIILQSW-QWHCGFSZSA-N 1 3 222.376 2.298 10 0 BEAEHO CCC(C)(C)CCN1C[C@H](OC)C[C@]1(C)C[NH3+] ZINC000630357201 364079553 /nfs/dbraw/zinc/07/95/53/364079553.db2.gz COTQNSZZEDMAQW-TZMCWYRMSA-N 1 3 242.407 2.251 10 0 BEAEHO CO[C@H]1CN(CC2CCCCC2)[C@@](C)(C[NH3+])C1 ZINC000630362199 364081962 /nfs/dbraw/zinc/08/19/62/364081962.db2.gz OILDAAOGDVYHMR-ZIAGYGMSSA-N 1 3 240.391 2.005 10 0 BEAEHO C[C@H]1CN(c2ccnc3ccccc32)C[C@H]1C[NH3+] ZINC000630568775 364264630 /nfs/dbraw/zinc/26/46/30/364264630.db2.gz KHRGEUAJCSIVIG-NWDGAFQWSA-N 1 3 241.338 2.266 10 0 BEAEHO CC[C@@H]1C[C@H]1C[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000573830846 364927189 /nfs/dbraw/zinc/92/71/89/364927189.db2.gz MUHIGRQFCISIOV-LOWDOPEQSA-N 1 3 210.365 2.010 10 0 BEAEHO C([NH2+][C@H]1CCCNCC1)C(C1CC1)C1CC1 ZINC000168765061 365000771 /nfs/dbraw/zinc/00/07/71/365000771.db2.gz WAXGKQOQDCUMPZ-ZDUSSCGKSA-N 1 3 222.376 2.154 10 0 BEAEHO C([NH2+][C@@H]1CCCNCC1)C(C1CC1)C1CC1 ZINC000168765154 365001215 /nfs/dbraw/zinc/00/12/15/365001215.db2.gz WAXGKQOQDCUMPZ-CYBMUJFWSA-N 1 3 222.376 2.154 10 0 BEAEHO [NH3+]CCCN[C@H](c1ccccc1)C1CC1 ZINC000042373160 181383122 /nfs/dbraw/zinc/38/31/22/181383122.db2.gz NNMMOYHBBYWRAL-CYBMUJFWSA-N 1 3 204.317 2.076 10 0 BEAEHO C[C@H]([NH2+]CCCC(C)(F)F)[C@H]1CCCNC1 ZINC000581364060 367393898 /nfs/dbraw/zinc/39/38/98/367393898.db2.gz PGKAJYMAMRCLAA-QWRGUYRKSA-N 1 3 234.334 2.400 10 0 BEAEHO C[C@@H]1C[C@H]([NH3+])CN1c1ccnc2ccccc21 ZINC000385175023 367805245 /nfs/dbraw/zinc/80/52/45/367805245.db2.gz GVSNNOBNBMVJQS-MNOVXSKESA-N 1 3 227.311 2.161 10 0 BEAEHO Cc1cccc(C)c1C[N@H+]1C[C@H](C)[C@@H](CN)C1 ZINC000631839691 369170662 /nfs/dbraw/zinc/17/06/62/369170662.db2.gz JRSKBYAHNSJXSG-KBPBESRZSA-N 1 3 232.371 2.330 10 0 BEAEHO Cc1cccc(C)c1C[N@@H+]1C[C@H](C)[C@@H](CN)C1 ZINC000631839691 369170668 /nfs/dbraw/zinc/17/06/68/369170668.db2.gz JRSKBYAHNSJXSG-KBPBESRZSA-N 1 3 232.371 2.330 10 0 BEAEHO CC[C@H](CC(F)F)C[N@@H+]1C[C@H](C)[C@H](CN)C1 ZINC000631837122 372627698 /nfs/dbraw/zinc/62/76/98/372627698.db2.gz NBLOHWQOODGQFJ-HBNTYKKESA-N 1 3 234.334 2.194 10 0 BEAEHO CC[C@H](CC(F)F)C[N@H+]1C[C@H](C)[C@H](CN)C1 ZINC000631837122 372627701 /nfs/dbraw/zinc/62/77/01/372627701.db2.gz NBLOHWQOODGQFJ-HBNTYKKESA-N 1 3 234.334 2.194 10 0 BEAEHO C[C@@H](c1ccc(F)cc1)N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631839552 372635945 /nfs/dbraw/zinc/63/59/45/372635945.db2.gz HRABYVDZHUTUSH-MDZLAQPJSA-N 1 3 236.334 2.413 10 0 BEAEHO Cc1ccc(CN2C[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000631843889 372641423 /nfs/dbraw/zinc/64/14/23/372641423.db2.gz SYWXCOLVSSPUKJ-JSGCOSHPSA-N 1 3 218.344 2.022 10 0 BEAEHO Cc1ccc(C[N@H+]2C[C@H](C)[C@@H](CN)C2)cc1 ZINC000631843889 372641427 /nfs/dbraw/zinc/64/14/27/372641427.db2.gz SYWXCOLVSSPUKJ-JSGCOSHPSA-N 1 3 218.344 2.022 10 0 BEAEHO Cc1ccc(C[N@@H+]2C[C@H](C)[C@@H](CN)C2)cc1 ZINC000631843889 372641432 /nfs/dbraw/zinc/64/14/32/372641432.db2.gz SYWXCOLVSSPUKJ-JSGCOSHPSA-N 1 3 218.344 2.022 10 0 BEAEHO CCC[NH+](CCC)C[C@@]1(CNCC)CCOC1 ZINC000051211301 169149590 /nfs/dbraw/zinc/14/95/90/169149590.db2.gz PBDATEHSOXLTCM-AWEZNQCLSA-N 1 3 242.407 2.125 10 0 BEAEHO CCCN(CCC)C[C@@]1(C[NH2+]CC)CCOC1 ZINC000051211301 169149592 /nfs/dbraw/zinc/14/95/92/169149592.db2.gz PBDATEHSOXLTCM-AWEZNQCLSA-N 1 3 242.407 2.125 10 0 BEAEHO CCC[NH2+]C[C@@H](OCCN1CCCC1)C(C)C ZINC000052670011 169262942 /nfs/dbraw/zinc/26/29/42/169262942.db2.gz CSCROISNUHZEGV-CQSZACIVSA-N 1 3 242.407 2.123 10 0 BEAEHO CCC[NH2+]C[C@@H](CC)N(CCC)CCN(C)C ZINC000052544133 169262336 /nfs/dbraw/zinc/26/23/36/169262336.db2.gz REUOIGPOLSAPIH-CQSZACIVSA-N 1 3 243.439 2.038 10 0 BEAEHO CCC[NH2+]C[C@]1(CN(CC)CCC)CCOC1 ZINC000051214831 169264484 /nfs/dbraw/zinc/26/44/84/169264484.db2.gz DIWSFSVCKPBSLN-AWEZNQCLSA-N 1 3 242.407 2.125 10 0 BEAEHO CCCO[C@H]1CCC[N@@H+]([C@@H]2CCCC[C@@H]2N)C1 ZINC000042421905 169312889 /nfs/dbraw/zinc/31/28/89/169312889.db2.gz FKTDTYVEWWPDFK-MELADBBJSA-N 1 3 240.391 2.147 10 0 BEAEHO CCCO[C@H]1CCC[N@H+]([C@@H]2CCCC[C@@H]2N)C1 ZINC000042421905 169312890 /nfs/dbraw/zinc/31/28/90/169312890.db2.gz FKTDTYVEWWPDFK-MELADBBJSA-N 1 3 240.391 2.147 10 0 BEAEHO CCC[C@@H]([NH2+]CC)[C@@H](CC)N(C)CCN(C)C ZINC000104200797 169399805 /nfs/dbraw/zinc/39/98/05/169399805.db2.gz UYCBJOIJEOVQSL-ZIAGYGMSSA-N 1 3 243.439 2.037 10 0 BEAEHO CC1(C)CC([NH2+]C2CCC2)CC(C)(C)N1 ZINC000044480384 384333513 /nfs/dbraw/zinc/33/35/13/384333513.db2.gz OSGDWTONNKTQTI-UHFFFAOYSA-N 1 3 210.365 2.438 10 0 BEAEHO CC1(C)CC(NC2CCC2)CC(C)(C)[NH2+]1 ZINC000044480384 384333517 /nfs/dbraw/zinc/33/35/17/384333517.db2.gz OSGDWTONNKTQTI-UHFFFAOYSA-N 1 3 210.365 2.438 10 0 BEAEHO FC1(F)CCC[C@H]1CN[C@@H]1CCC[NH2+]CC1 ZINC000335661256 384464636 /nfs/dbraw/zinc/46/46/36/384464636.db2.gz FUDIYVZUMPXCEA-WDEREUQCSA-N 1 3 232.318 2.154 10 0 BEAEHO FC1(F)CCC[C@H]1C[NH2+][C@@H]1CCCNCC1 ZINC000335661256 384464642 /nfs/dbraw/zinc/46/46/42/384464642.db2.gz FUDIYVZUMPXCEA-WDEREUQCSA-N 1 3 232.318 2.154 10 0 BEAEHO C[C@H](NCCC[NH3+])c1cccc(Cl)c1 ZINC000037713370 384512460 /nfs/dbraw/zinc/51/24/60/384512460.db2.gz FZZQNTWVPOLSCV-VIFPVBQESA-N 1 3 212.724 2.339 10 0 BEAEHO C[C@@]1([NH2+]C[C@@H]2CCCNC2)CC=CCC1 ZINC000334852402 384748849 /nfs/dbraw/zinc/74/88/49/384748849.db2.gz GWFUHOQPCLJMGW-CHWSQXEVSA-N 1 3 208.349 2.074 10 0 BEAEHO C[C@@H]1[C@H]([NH3+])CCN(Cc2ccccc2)[C@@H]1C ZINC000169616726 385415143 /nfs/dbraw/zinc/41/51/43/385415143.db2.gz NWKPWPVTPIKZQR-OUCADQQQSA-N 1 3 218.344 2.244 10 0 BEAEHO C[C@@H]1[N@H+](Cc2ccccc2)CC[C@@]1(N)C1CC1 ZINC000575568793 386111560 /nfs/dbraw/zinc/11/15/60/386111560.db2.gz OGUWHMQSYNAZPZ-WFASDCNBSA-N 1 3 230.355 2.388 10 0 BEAEHO C[C@@H]1[N@@H+](Cc2ccccc2)CC[C@@]1(N)C1CC1 ZINC000575568793 386111566 /nfs/dbraw/zinc/11/15/66/386111566.db2.gz OGUWHMQSYNAZPZ-WFASDCNBSA-N 1 3 230.355 2.388 10 0 BEAEHO C(COC1CCCCC1)N[C@H]1CCC[NH2+]CC1 ZINC000129256679 386070910 /nfs/dbraw/zinc/07/09/10/386070910.db2.gz WYGKZLLHXDLXAG-ZDUSSCGKSA-N 1 3 240.391 2.067 10 0 BEAEHO C([NH2+][C@@H]1CCCNCC1)C1(C2CC2)CCC1 ZINC000391444885 386269622 /nfs/dbraw/zinc/26/96/22/386269622.db2.gz CYOZFUWPIHWMEH-CYBMUJFWSA-N 1 3 222.376 2.298 10 0 BEAEHO C[C@]1(CN2CC[C@H](c3ccccc3)C2)CC[NH2+]C1 ZINC000062912329 386533386 /nfs/dbraw/zinc/53/33/86/386533386.db2.gz MNRPAPMXGASSBW-HOTGVXAUSA-N 1 3 244.382 2.476 10 0 BEAEHO CCC1CCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000062911612 386655231 /nfs/dbraw/zinc/65/52/31/386655231.db2.gz VZAOXMSZOPTONS-ZDUSSCGKSA-N 1 3 210.365 2.108 10 0 BEAEHO CC(C)COCCC[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000520393117 386662060 /nfs/dbraw/zinc/66/20/60/386662060.db2.gz COAKEVNHLFIVQQ-KBPBESRZSA-N 1 3 242.407 2.027 10 0 BEAEHO C[C@@H]1CC(C)(C)C[N@@H+]1C[C@H]1CCCNC1 ZINC000334854423 386905347 /nfs/dbraw/zinc/90/53/47/386905347.db2.gz MXRGYIRBIBGOLL-NEPJUHHUSA-N 1 3 210.365 2.106 10 0 BEAEHO C[C@@H]1CC(C)(C)C[N@H+]1C[C@H]1CCCNC1 ZINC000334854423 386905348 /nfs/dbraw/zinc/90/53/48/386905348.db2.gz MXRGYIRBIBGOLL-NEPJUHHUSA-N 1 3 210.365 2.106 10 0 BEAEHO C[C@H](CN[C@@H](C)[C@@H]1CC[NH2+]C1)Oc1ccccc1 ZINC000422978135 387789559 /nfs/dbraw/zinc/78/95/59/387789559.db2.gz HAXGQRBKHSTUBN-HZSPNIEDSA-N 1 3 248.370 2.042 10 0 BEAEHO C[C@H](N[C@@H]1CCCC(F)(F)C1)[C@@H]1CC[NH2+]C1 ZINC000422986871 387795699 /nfs/dbraw/zinc/79/56/99/387795699.db2.gz DNMLHUYUVHPUKP-HBNTYKKESA-N 1 3 232.318 2.152 10 0 BEAEHO C[C@H](N[C@H]1CCCC(F)(F)C1)[C@@H]1CC[NH2+]C1 ZINC000422986868 387796068 /nfs/dbraw/zinc/79/60/68/387796068.db2.gz DNMLHUYUVHPUKP-AXFHLTTASA-N 1 3 232.318 2.152 10 0 BEAEHO C[C@@H](CC1CCCCC1)[NH2+][C@H]1CCNC1 ZINC000423090747 387882540 /nfs/dbraw/zinc/88/25/40/387882540.db2.gz WAQKPITYUPOCQI-AAEUAGOBSA-N 1 3 210.365 2.297 10 0 BEAEHO NC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC12CCCC2 ZINC000423274863 388055454 /nfs/dbraw/zinc/05/54/54/388055454.db2.gz MQWAYNSTNBLOMJ-AVGNSLFASA-N 1 3 222.376 2.426 10 0 BEAEHO [NH3+]C/C=C1/CCCN(Cc2ccccc2)C1 ZINC000069049971 388412578 /nfs/dbraw/zinc/41/25/78/388412578.db2.gz IHUXQCNNVONXCF-ZSOIEALJSA-N 1 3 216.328 2.168 10 0 BEAEHO N[C@H](CCCC[NH3+])c1cccc(F)c1F ZINC000575440228 388631128 /nfs/dbraw/zinc/63/11/28/388631128.db2.gz WCRWAGKKWJVAPF-SNVBAGLBSA-N 1 3 214.259 2.094 10 0 BEAEHO C([C@@H]1CCN(C2CCC2)C1)[NH+]1CCCCC1 ZINC000178996705 134314128 /nfs/dbraw/zinc/31/41/28/134314128.db2.gz AOVURXQPVBVZKA-ZDUSSCGKSA-N 1 3 222.376 2.347 10 0 BEAEHO C([C@@H]1CC[N@@H+](C2CCC2)C1)N1CCCCC1 ZINC000178996705 134314129 /nfs/dbraw/zinc/31/41/29/134314129.db2.gz AOVURXQPVBVZKA-ZDUSSCGKSA-N 1 3 222.376 2.347 10 0 BEAEHO C([C@@H]1CC[N@H+](C2CCC2)C1)N1CCCCC1 ZINC000178996705 134314130 /nfs/dbraw/zinc/31/41/30/134314130.db2.gz AOVURXQPVBVZKA-ZDUSSCGKSA-N 1 3 222.376 2.347 10 0 BEAEHO CC[C@H]([NH2+][C@H]1CC[C@@H](N(C)C)C1)C(C)C ZINC000222740755 134333933 /nfs/dbraw/zinc/33/39/33/134333933.db2.gz CZGPMQCRFGTRGM-XQQFMLRXSA-N 1 3 212.381 2.493 10 0 BEAEHO NC[C@@H]1CC[N@H+](C[C@H]2CCCC(F)(F)C2)C1 ZINC000261533068 135163884 /nfs/dbraw/zinc/16/38/84/135163884.db2.gz DMMMVAOWGRTAIL-QWRGUYRKSA-N 1 3 232.318 2.093 10 0 BEAEHO NC[C@@H]1CC[N@@H+](C[C@H]2CCCC(F)(F)C2)C1 ZINC000261533068 135163885 /nfs/dbraw/zinc/16/38/85/135163885.db2.gz DMMMVAOWGRTAIL-QWRGUYRKSA-N 1 3 232.318 2.093 10 0 BEAEHO [NH3+]C[C@@H]1CCN(C[C@H]2CCCC(F)(F)C2)C1 ZINC000261533068 135163886 /nfs/dbraw/zinc/16/38/86/135163886.db2.gz DMMMVAOWGRTAIL-QWRGUYRKSA-N 1 3 232.318 2.093 10 0 BEAEHO FC1(F)CCC[C@H](C[N@@H+]2CCCNCC2)C1 ZINC000261533077 135164282 /nfs/dbraw/zinc/16/42/82/135164282.db2.gz GJKDQGRYZRRXAW-NSHDSACASA-N 1 3 232.318 2.107 10 0 BEAEHO FC1(F)CCC[C@H](C[N@H+]2CCCNCC2)C1 ZINC000261533077 135164283 /nfs/dbraw/zinc/16/42/83/135164283.db2.gz GJKDQGRYZRRXAW-NSHDSACASA-N 1 3 232.318 2.107 10 0 BEAEHO NC[C@H]1CC[N@H+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC000261533066 135164307 /nfs/dbraw/zinc/16/43/07/135164307.db2.gz DMMMVAOWGRTAIL-GHMZBOCLSA-N 1 3 232.318 2.093 10 0 BEAEHO NC[C@H]1CC[N@@H+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC000261533066 135164308 /nfs/dbraw/zinc/16/43/08/135164308.db2.gz DMMMVAOWGRTAIL-GHMZBOCLSA-N 1 3 232.318 2.093 10 0 BEAEHO [NH3+]C[C@H]1CCN(C[C@@H]2CCCC(F)(F)C2)C1 ZINC000261533066 135164310 /nfs/dbraw/zinc/16/43/10/135164310.db2.gz DMMMVAOWGRTAIL-GHMZBOCLSA-N 1 3 232.318 2.093 10 0 BEAEHO C[C@@H]1CN(C[C@H]2CCCC(F)(F)C2)CC[C@H]1[NH3+] ZINC000261538121 135175163 /nfs/dbraw/zinc/17/51/63/135175163.db2.gz DVEGQXYBGFGWDQ-GRYCIOLGSA-N 1 3 246.345 2.481 10 0 BEAEHO CN(CCC[NH3+])C[C@H]1CCCCC1(F)F ZINC000381689384 397800248 /nfs/dbraw/zinc/80/02/48/397800248.db2.gz NHWLWOLIZPDACR-SNVBAGLBSA-N 1 3 220.307 2.093 10 0 BEAEHO CSc1ccc(CNCC[C@@H](C)[NH3+])cc1 ZINC000258857394 322878786 /nfs/dbraw/zinc/87/87/86/322878786.db2.gz YEMXYNGRIQFXBV-SNVBAGLBSA-N 1 3 224.373 2.235 10 0 BEAEHO [NH3+]C1CCN(C[C@@H]2CCCCC2(F)F)CC1 ZINC000394507952 410618108 /nfs/dbraw/zinc/61/81/08/410618108.db2.gz LVODVGKFEBNFIV-JTQLQIEISA-N 1 3 232.318 2.235 10 0 BEAEHO C([NH2+][C@@H]1CCCNCC1)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000665263934 410736791 /nfs/dbraw/zinc/73/67/91/410736791.db2.gz YIWYEXLKLWTSKD-IGQOVBAYSA-N 1 3 222.376 2.154 10 0 BEAEHO CC(C)NCC[C@@H](C)[N@H+](C)CC1CCOCC1 ZINC000104196193 167108510 /nfs/dbraw/zinc/10/85/10/167108510.db2.gz VQTFXKQFFBRDFO-CYBMUJFWSA-N 1 3 242.407 2.121 10 0 BEAEHO CC(C)NCC[C@@H](C)[N@@H+](C)CC1CCOCC1 ZINC000104196193 167108511 /nfs/dbraw/zinc/10/85/11/167108511.db2.gz VQTFXKQFFBRDFO-CYBMUJFWSA-N 1 3 242.407 2.121 10 0 BEAEHO CC(C)[NH2+]CC[C@@H](C)N(C)CC1CCOCC1 ZINC000104196193 167108512 /nfs/dbraw/zinc/10/85/12/167108512.db2.gz VQTFXKQFFBRDFO-CYBMUJFWSA-N 1 3 242.407 2.121 10 0 BEAEHO CC1CC[NH+](C[C@@H]2CCCC[C@@H]2N)CC1 ZINC000058081642 168182992 /nfs/dbraw/zinc/18/29/92/168182992.db2.gz VEBBQEWMYSTPOY-STQMWFEESA-N 1 3 210.365 2.236 10 0 BEAEHO CC1CC[NH+](C[C@H]2C[C@@H](C)CC[C@@H]2N)CC1 ZINC000053860893 168183309 /nfs/dbraw/zinc/18/33/09/168183309.db2.gz JTFYLZMGHNQAOL-MJBXVCDLSA-N 1 3 224.392 2.482 10 0 BEAEHO CC1CCN(Cc2ccc(F)cc2C(N)=[NH2+])CC1 ZINC000071267521 168184734 /nfs/dbraw/zinc/18/47/34/168184734.db2.gz CMNAMKUSCWDIGL-UHFFFAOYSA-N 1 3 249.333 2.342 10 0 BEAEHO CC[NH2+]C[C@@H](C)CN(CCOC)C(CC)CC ZINC000052573307 170119008 /nfs/dbraw/zinc/11/90/08/170119008.db2.gz FSQPJVGYAHEPMC-CYBMUJFWSA-N 1 3 244.423 2.369 10 0 BEAEHO CCNC[C@@H](C)C[N@H+](CCOC)C(CC)CC ZINC000052573307 170119005 /nfs/dbraw/zinc/11/90/05/170119005.db2.gz FSQPJVGYAHEPMC-CYBMUJFWSA-N 1 3 244.423 2.369 10 0 BEAEHO CCNC[C@@H](C)C[N@@H+](CCOC)C(CC)CC ZINC000052573307 170119006 /nfs/dbraw/zinc/11/90/06/170119006.db2.gz FSQPJVGYAHEPMC-CYBMUJFWSA-N 1 3 244.423 2.369 10 0 BEAEHO CCN[C@@H]1CC[N@@H+](C(C2CC2)C2CC2)C[C@@H]1C ZINC000049713707 170152348 /nfs/dbraw/zinc/15/23/48/170152348.db2.gz OVEFFKQXTGBDAM-SMDDNHRTSA-N 1 3 236.403 2.495 10 0 BEAEHO CCN[C@@H]1CC[N@H+](C(C2CC2)C2CC2)C[C@@H]1C ZINC000049713707 170152349 /nfs/dbraw/zinc/15/23/49/170152349.db2.gz OVEFFKQXTGBDAM-SMDDNHRTSA-N 1 3 236.403 2.495 10 0 BEAEHO CC[NH2+][C@@H]1CCN(C(C2CC2)C2CC2)C[C@@H]1C ZINC000049713707 170152350 /nfs/dbraw/zinc/15/23/50/170152350.db2.gz OVEFFKQXTGBDAM-SMDDNHRTSA-N 1 3 236.403 2.495 10 0 BEAEHO CC[NH2+][C@H]1CCN(CC2CCC2)C[C@@H]1C ZINC000049710561 170166555 /nfs/dbraw/zinc/16/65/55/170166555.db2.gz NCPQFLMNBGKZBZ-AAEUAGOBSA-N 1 3 210.365 2.106 10 0 BEAEHO CC[NH2+][C@H]1CCC[C@@H]1CN1CCCCC1 ZINC000053862422 170166696 /nfs/dbraw/zinc/16/66/96/170166696.db2.gz OSKPUASRNJYNGX-OLZOCXBDSA-N 1 3 210.365 2.251 10 0 BEAEHO CC[C@@H](C[NH2+]C(C)(C)C)OC1CCN(C)CC1 ZINC000052596532 170826602 /nfs/dbraw/zinc/82/66/02/170826602.db2.gz NQWYSRHIDQFTRC-LBPRGKRZSA-N 1 3 242.407 2.264 10 0 BEAEHO C[N@H+](C[C@@H]1C[C@H]2C[C@H]2C1)[C@@H]1CCCNCC1 ZINC000662267223 412058861 /nfs/dbraw/zinc/05/88/61/412058861.db2.gz RHHMSGADCUFWHH-XJFOESAGSA-N 1 3 222.376 2.106 10 0 BEAEHO C[N@@H+](C[C@@H]1C[C@H]2C[C@H]2C1)[C@@H]1CCCNCC1 ZINC000662267223 412058864 /nfs/dbraw/zinc/05/88/64/412058864.db2.gz RHHMSGADCUFWHH-XJFOESAGSA-N 1 3 222.376 2.106 10 0 BEAEHO C[N@H+](CC1CC=CC1)[C@H]1CCCNCC1 ZINC000662265439 412055381 /nfs/dbraw/zinc/05/53/81/412055381.db2.gz AMEOZQYKEUTOEK-ZDUSSCGKSA-N 1 3 208.349 2.027 10 0 BEAEHO C[N@@H+](CC1CC=CC1)[C@H]1CCCNCC1 ZINC000662265439 412055385 /nfs/dbraw/zinc/05/53/85/412055385.db2.gz AMEOZQYKEUTOEK-ZDUSSCGKSA-N 1 3 208.349 2.027 10 0 BEAEHO CC[C@@H]1CC[C@@H](N)[C@H]([N@H+](CCOC)C2CC2)C1 ZINC000042518158 171039759 /nfs/dbraw/zinc/03/97/59/171039759.db2.gz GTPLLROYJJQXPO-MRVWCRGKSA-N 1 3 240.391 2.003 10 0 BEAEHO CC[C@@H]1CC[C@@H](N)[C@H]([N@@H+](CCOC)C2CC2)C1 ZINC000042518158 171039761 /nfs/dbraw/zinc/03/97/61/171039761.db2.gz GTPLLROYJJQXPO-MRVWCRGKSA-N 1 3 240.391 2.003 10 0 BEAEHO CC[C@H](C)CN(C)Cc1ccccc1C(N)=[NH2+] ZINC000037173367 171274178 /nfs/dbraw/zinc/27/41/78/171274178.db2.gz CWVJKWBQYCMXAN-NSHDSACASA-N 1 3 233.359 2.449 10 0 BEAEHO CN1CCCC[C@@H]1CC[NH2+]CC[C@@H]1CCCO1 ZINC000052205757 173005259 /nfs/dbraw/zinc/00/52/59/173005259.db2.gz WEBZJMYVZQPOHN-KGLIPLIRSA-N 1 3 240.391 2.020 10 0 BEAEHO CN1CCC[C@H](C[NH3+])[C@H]1c1ccccc1 ZINC000082380066 173042456 /nfs/dbraw/zinc/04/24/56/173042456.db2.gz XORZBVQTSUNZOY-CHWSQXEVSA-N 1 3 204.317 2.028 10 0 BEAEHO CNC(C)(C)C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000061319615 173319450 /nfs/dbraw/zinc/31/94/50/173319450.db2.gz CAPGJTFJYQCBSH-QWHCGFSZSA-N 1 3 224.392 2.497 10 0 BEAEHO CNC(C)(C)C[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000061319615 173319451 /nfs/dbraw/zinc/31/94/51/173319451.db2.gz CAPGJTFJYQCBSH-QWHCGFSZSA-N 1 3 224.392 2.497 10 0 BEAEHO CNC1CC[NH+](C2(C)CCCCC2)CC1 ZINC000045045998 173323166 /nfs/dbraw/zinc/32/31/66/173323166.db2.gz WTYWTNKJVYYJPT-UHFFFAOYSA-N 1 3 210.365 2.393 10 0 BEAEHO CNC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000037241964 173324587 /nfs/dbraw/zinc/32/45/87/173324587.db2.gz WDJGHEOGTJJGHC-AAEUAGOBSA-N 1 3 210.365 2.249 10 0 BEAEHO C[NH2+]CC1(CN2CCCSCC2)CCCC1 ZINC000051284162 173337714 /nfs/dbraw/zinc/33/77/14/173337714.db2.gz SWRIXOGYWCMLMK-UHFFFAOYSA-N 1 3 242.432 2.205 10 0 BEAEHO CNCc1ccccc1OCC[N@@H+]1CC[C@H](C)C1 ZINC000052484459 173390701 /nfs/dbraw/zinc/39/07/01/173390701.db2.gz AVQGNRXDPFEQLB-ZDUSSCGKSA-N 1 3 248.370 2.127 10 0 BEAEHO CNCc1ccccc1OCC[N@H+]1CC[C@H](C)C1 ZINC000052484459 173390702 /nfs/dbraw/zinc/39/07/02/173390702.db2.gz AVQGNRXDPFEQLB-ZDUSSCGKSA-N 1 3 248.370 2.127 10 0 BEAEHO CNCc1occc1C[N@@H+]1CCCC[C@@H]1C ZINC000052378739 173399951 /nfs/dbraw/zinc/39/99/51/173399951.db2.gz SCNQBOZTBSIJKU-NSHDSACASA-N 1 3 222.332 2.373 10 0 BEAEHO CNCc1occc1C[N@H+]1CCCC[C@@H]1C ZINC000052378739 173399953 /nfs/dbraw/zinc/39/99/53/173399953.db2.gz SCNQBOZTBSIJKU-NSHDSACASA-N 1 3 222.332 2.373 10 0 BEAEHO COCC[N@H+](C1CC1)[C@H]1CCCCCC[C@@H]1N ZINC000042518155 174285082 /nfs/dbraw/zinc/28/50/82/174285082.db2.gz FVVDHULZCBUFGZ-KBPBESRZSA-N 1 3 240.391 2.147 10 0 BEAEHO COCC[N@@H+](C1CC1)[C@H]1CCCCCC[C@@H]1N ZINC000042518155 174285083 /nfs/dbraw/zinc/28/50/83/174285083.db2.gz FVVDHULZCBUFGZ-KBPBESRZSA-N 1 3 240.391 2.147 10 0 BEAEHO COCCN(CC(C)C)[C@H]1CCCCC[C@@H]1[NH3+] ZINC000042368743 174287810 /nfs/dbraw/zinc/28/78/10/174287810.db2.gz IHASKAHCLWZDAA-KBPBESRZSA-N 1 3 242.407 2.251 10 0 BEAEHO COc1cccc([C@H](C)N2C[C@H](C[NH3+])C[C@H]2C)c1 ZINC000131456165 175292456 /nfs/dbraw/zinc/29/24/56/175292456.db2.gz MHULZIDFKNLKME-AGIUHOORSA-N 1 3 248.370 2.425 10 0 BEAEHO COc1ccccc1CN(C)[C@H](C)CCC[NH3+] ZINC000052542274 175326410 /nfs/dbraw/zinc/32/64/10/175326410.db2.gz QOCKSKHHRDOPCU-GFCCVEGCSA-N 1 3 236.359 2.254 10 0 BEAEHO COc1ccccc1[C@H](CCC[NH3+])N(C)C ZINC000019673905 175352983 /nfs/dbraw/zinc/35/29/83/175352983.db2.gz QFGODFRTBNWTRY-LBPRGKRZSA-N 1 3 222.332 2.037 10 0 BEAEHO C[C@@H](c1ccco1)N1CCC(C[NH3+])CC1 ZINC000044511675 176032657 /nfs/dbraw/zinc/03/26/57/176032657.db2.gz DUOVFPUXKXCHPJ-JTQLQIEISA-N 1 3 208.305 2.011 10 0 BEAEHO C[C@@H](c1cccs1)N1CCC[C@H](C[NH3+])C1 ZINC000044527592 176034355 /nfs/dbraw/zinc/03/43/55/176034355.db2.gz MIHDNGGEPCMZHF-WDEREUQCSA-N 1 3 224.373 2.480 10 0 BEAEHO C[C@@H]1CCCC[C@H]1C[NH+]1CCCNCCC1 ZINC000042867342 176084450 /nfs/dbraw/zinc/08/44/50/176084450.db2.gz CFOVPAXGHVIEDF-KGLIPLIRSA-N 1 3 224.392 2.498 10 0 BEAEHO C[C@@H]1CCCN(C[C@@H](C[NH3+])c2ccccc2)C1 ZINC000035731288 176099912 /nfs/dbraw/zinc/09/99/12/176099912.db2.gz BKHQVEDNCZWDCA-UKRRQHHQSA-N 1 3 232.371 2.461 10 0 BEAEHO C[C@@H]1CC[NH+](CC2CCC2)CC[C@@H](C)N1 ZINC000049665867 176168632 /nfs/dbraw/zinc/16/86/32/176168632.db2.gz MGQQGJCJNJAYPL-VXGBXAGGSA-N 1 3 210.365 2.249 10 0 BEAEHO C[C@@H]1CC[C@@H](N)[C@@H](C)[N@@H+]1Cc1ccccc1 ZINC000169616763 176209224 /nfs/dbraw/zinc/20/92/24/176209224.db2.gz ULXWOSFIBHNQLH-YRGRVCCFSA-N 1 3 218.344 2.387 10 0 BEAEHO C[C@@H]1CC[C@@H](N)[C@@H](C)[N@H+]1Cc1ccccc1 ZINC000169616763 176209225 /nfs/dbraw/zinc/20/92/25/176209225.db2.gz ULXWOSFIBHNQLH-YRGRVCCFSA-N 1 3 218.344 2.387 10 0 BEAEHO C[C@@H]1C[C@@H](C)C[NH+](Cc2occc2CN)C1 ZINC000052420648 176361793 /nfs/dbraw/zinc/36/17/93/176361793.db2.gz YPJLCHKVUMRXSG-GHMZBOCLSA-N 1 3 222.332 2.216 10 0 BEAEHO C[C@@H]1C[C@@H](C)C[NH+](C[C@@H]2CCCC[C@@H]2N)C1 ZINC000058081419 176362367 /nfs/dbraw/zinc/36/23/67/176362367.db2.gz BPBXBTIVPVRTCY-MQYQWHSLSA-N 1 3 224.392 2.482 10 0 BEAEHO C[C@@H]1CC[C@H](N)[C@H](C[N@@H+]2CCC[C@H](C)C2)C1 ZINC000053861892 177099737 /nfs/dbraw/zinc/09/97/37/177099737.db2.gz XJBGICIFSPYZCA-RFGFWPKPSA-N 1 3 224.392 2.482 10 0 BEAEHO C[C@@H]1CC[C@H](N)[C@H](C[N@H+]2CCC[C@H](C)C2)C1 ZINC000053861892 177099739 /nfs/dbraw/zinc/09/97/39/177099739.db2.gz XJBGICIFSPYZCA-RFGFWPKPSA-N 1 3 224.392 2.482 10 0 BEAEHO C[C@@H]1CN[C@@H](C)CC[N@@H+](C2CCCC2)C1 ZINC000049664901 177157104 /nfs/dbraw/zinc/15/71/04/177157104.db2.gz MCLAAKBEXZEIDJ-NEPJUHHUSA-N 1 3 210.365 2.249 10 0 BEAEHO C[C@@H]1CN[C@@H](C)CC[N@H+](C2CCCC2)C1 ZINC000049664901 177157105 /nfs/dbraw/zinc/15/71/05/177157105.db2.gz MCLAAKBEXZEIDJ-NEPJUHHUSA-N 1 3 210.365 2.249 10 0 BEAEHO C[C@H]1CC[N@H+](CC2CCCC2)CCCN1 ZINC000049666003 177159015 /nfs/dbraw/zinc/15/90/15/177159015.db2.gz QVCYXJWECYHROR-LBPRGKRZSA-N 1 3 210.365 2.251 10 0 BEAEHO C[C@H]1CC[N@@H+](CC2CCCC2)CCCN1 ZINC000049666003 177159017 /nfs/dbraw/zinc/15/90/17/177159017.db2.gz QVCYXJWECYHROR-LBPRGKRZSA-N 1 3 210.365 2.251 10 0 BEAEHO C[C@@H]1C[NH2+][C@@H](C)CCN(CCc2ccco2)C1 ZINC000049667382 177161934 /nfs/dbraw/zinc/16/19/34/177161934.db2.gz FCJGCSKQEFAFQN-OLZOCXBDSA-N 1 3 236.359 2.142 10 0 BEAEHO C[C@H]1CC[C@H](CN)C[N@@H+]1CCC(C)(C)C ZINC000042427492 177200613 /nfs/dbraw/zinc/20/06/13/177200613.db2.gz UQKOUERYGKPTGQ-NWDGAFQWSA-N 1 3 212.381 2.482 10 0 BEAEHO C[C@H]1CC[C@H](CN)C[N@H+]1CCC(C)(C)C ZINC000042427492 177200615 /nfs/dbraw/zinc/20/06/15/177200615.db2.gz UQKOUERYGKPTGQ-NWDGAFQWSA-N 1 3 212.381 2.482 10 0 BEAEHO CCC1(C[NH2+][C@@H](C)[C@@H]2CCCNC2)CC1 ZINC000572111825 323540201 /nfs/dbraw/zinc/54/02/01/323540201.db2.gz XGCCJOKHMJYTTB-NWDGAFQWSA-N 1 3 210.365 2.154 10 0 BEAEHO C[N@H+](C[C@@H]1CC[C@@H]2C[C@@H]2C1)[C@H]1CCCNCC1 ZINC000403137057 488114886 /nfs/dbraw/zinc/11/48/86/488114886.db2.gz CBBUDLBWOURMTJ-KBXIAJHMSA-N 1 3 236.403 2.497 10 0 BEAEHO C[N@@H+](C[C@@H]1CC[C@@H]2C[C@@H]2C1)[C@H]1CCCNCC1 ZINC000403137057 488114890 /nfs/dbraw/zinc/11/48/90/488114890.db2.gz CBBUDLBWOURMTJ-KBXIAJHMSA-N 1 3 236.403 2.497 10 0 BEAEHO CCC[NH2+][C@@H]1CCN(CC(C)C)C[C@H]1C ZINC000242539019 520023462 /nfs/dbraw/zinc/02/34/62/520023462.db2.gz JLZDNMLZVHZDLZ-CHWSQXEVSA-N 1 3 212.381 2.352 10 0 BEAEHO CN1CCC[C@@]2(CC1)[NH2+]CC(C)(C)C(C)(C)O2 ZINC000757138392 582517948 /nfs/dbraw/zinc/51/79/48/582517948.db2.gz CAILFRSKEOGFNT-CQSZACIVSA-N 1 3 240.391 2.223 10 0 BEAEHO CC[C@@H]1CC[NH2+]C2(CCN(CC(C)C)CC2)O1 ZINC000757138934 582518337 /nfs/dbraw/zinc/51/83/37/582518337.db2.gz DWKNFBGVOFRFOG-CYBMUJFWSA-N 1 3 240.391 2.223 10 0 BEAEHO CCN1CCC2(CC1)[NH2+]C[C@H](C(C)(C)C)CO2 ZINC000757150083 582534286 /nfs/dbraw/zinc/53/42/86/582534286.db2.gz PAVKOXZEQMKBFE-LBPRGKRZSA-N 1 3 240.391 2.081 10 0 BEAEHO CC[C@@]1(C)CCOC2(CC[NH+](C3CC3)CC2)N1 ZINC000757152463 582536684 /nfs/dbraw/zinc/53/66/84/582536684.db2.gz SKQSEEYLHHQKJR-ZDUSSCGKSA-N 1 3 238.375 2.120 10 0 BEAEHO C[C@H](NC[C@@H]1CCCCC1(F)F)[C@H]1CC[NH2+]C1 ZINC000400391879 533881085 /nfs/dbraw/zinc/88/10/85/533881085.db2.gz NMOSNFXIAQIZTQ-SRVKXCTJSA-N 1 3 246.345 2.400 10 0 BEAEHO CC(C)CN1CC[C@@H]([NH+]2CCCC2)[C@H](C)C1 ZINC000242495598 519730887 /nfs/dbraw/zinc/73/08/87/519730887.db2.gz GKTCJDLUNONRIG-ZIAGYGMSSA-N 1 3 224.392 2.449 10 0 BEAEHO C[C@@H]1[C@H]([NH3+])CCN(Cc2ccccc2)[C@H]1C ZINC000238854465 525699659 /nfs/dbraw/zinc/69/96/59/525699659.db2.gz NWKPWPVTPIKZQR-SGMGOOAPSA-N 1 3 218.344 2.244 10 0 BEAEHO C[C@@H]1CC[C@H](C)[N@@H+](C2[C@@H](C)CNC[C@@H]2C)C1 ZINC000685951927 566486770 /nfs/dbraw/zinc/48/67/70/566486770.db2.gz ZHSYTKMHYMPGNI-VOAKCMCISA-N 1 3 224.392 2.351 10 0 BEAEHO C[C@@H]1CC[C@H](C)[N@H+](C2[C@@H](C)CNC[C@@H]2C)C1 ZINC000685951927 566486776 /nfs/dbraw/zinc/48/67/76/566486776.db2.gz ZHSYTKMHYMPGNI-VOAKCMCISA-N 1 3 224.392 2.351 10 0 BEAEHO C[C@@H]1CC[C@@H](C)[N@@H+]([C@H]2[C@H](C)CNC[C@@H]2C)C1 ZINC000685951926 566486906 /nfs/dbraw/zinc/48/69/06/566486906.db2.gz ZHSYTKMHYMPGNI-RGDJUOJXSA-N 1 3 224.392 2.351 10 0 BEAEHO C[C@@H]1CC[C@@H](C)[N@H+]([C@H]2[C@H](C)CNC[C@@H]2C)C1 ZINC000685951926 566486912 /nfs/dbraw/zinc/48/69/12/566486912.db2.gz ZHSYTKMHYMPGNI-RGDJUOJXSA-N 1 3 224.392 2.351 10 0 BEAEHO CC(C)C[N@@H+]1CCC[C@]12CCCN[C@H]2C ZINC000757124322 582499640 /nfs/dbraw/zinc/49/96/40/582499640.db2.gz CFOLKHFBJXSDBV-STQMWFEESA-N 1 3 210.365 2.249 10 0 BEAEHO CC(C)C[N@H+]1CCC[C@]12CCCN[C@H]2C ZINC000757124322 582499642 /nfs/dbraw/zinc/49/96/42/582499642.db2.gz CFOLKHFBJXSDBV-STQMWFEESA-N 1 3 210.365 2.249 10 0 BEAEHO CC(C)CN1CCC[C@]12CCC[NH2+][C@H]2C ZINC000757124322 582499643 /nfs/dbraw/zinc/49/96/43/582499643.db2.gz CFOLKHFBJXSDBV-STQMWFEESA-N 1 3 210.365 2.249 10 0 BEAEHO C(CN1CCC[C@@]12CCC[NH2+]C2)C1CCC1 ZINC000757128227 582502973 /nfs/dbraw/zinc/50/29/73/582502973.db2.gz JOBIFEYFMRYXCI-CQSZACIVSA-N 1 3 222.376 2.395 10 0 BEAEHO C(C[N@@H+]1CCC[C@@]12CCCNC2)C1CCC1 ZINC000757128227 582502974 /nfs/dbraw/zinc/50/29/74/582502974.db2.gz JOBIFEYFMRYXCI-CQSZACIVSA-N 1 3 222.376 2.395 10 0 BEAEHO C(C[N@H+]1CCC[C@@]12CCCNC2)C1CCC1 ZINC000757128227 582502975 /nfs/dbraw/zinc/50/29/75/582502975.db2.gz JOBIFEYFMRYXCI-CQSZACIVSA-N 1 3 222.376 2.395 10 0 BEAEHO C[C@@H](C1CC1)[N@@H+]1CCC[C@]12CNC[C@@H](C)C2 ZINC000757131237 582505768 /nfs/dbraw/zinc/50/57/68/582505768.db2.gz PXKVBVDERKLGGI-OBJOEFQTSA-N 1 3 222.376 2.249 10 0 BEAEHO C[C@@H](C1CC1)[N@H+]1CCC[C@]12CNC[C@@H](C)C2 ZINC000757131237 582505769 /nfs/dbraw/zinc/50/57/69/582505769.db2.gz PXKVBVDERKLGGI-OBJOEFQTSA-N 1 3 222.376 2.249 10 0 BEAEHO C[C@@H](C1CC1)N1CCC[C@]12C[NH2+]C[C@@H](C)C2 ZINC000757131237 582505770 /nfs/dbraw/zinc/50/57/70/582505770.db2.gz PXKVBVDERKLGGI-OBJOEFQTSA-N 1 3 222.376 2.249 10 0 BEAEHO CC1(c2ccc([C@H]3CNC[C@H](C[NH3+])C3)cc2)CC1 ZINC000757218586 582562106 /nfs/dbraw/zinc/56/21/06/582562106.db2.gz VASWUXZNPHQZIH-GXTWGEPZSA-N 1 3 244.382 2.390 10 0 BEAEHO CC1(c2ccc([C@H]3C[NH2+]C[C@H](CN)C3)cc2)CC1 ZINC000757218586 582562110 /nfs/dbraw/zinc/56/21/10/582562110.db2.gz VASWUXZNPHQZIH-GXTWGEPZSA-N 1 3 244.382 2.390 10 0 BEAEHO CC(C)C[N@@H+]1CCC[C@]12CNC[C@@H](C)C2 ZINC000757133725 586427055 /nfs/dbraw/zinc/42/70/55/586427055.db2.gz UAOGOGXWNSLEPY-STQMWFEESA-N 1 3 210.365 2.106 10 0 BEAEHO CC(C)C[N@H+]1CCC[C@]12CNC[C@@H](C)C2 ZINC000757133725 586427056 /nfs/dbraw/zinc/42/70/56/586427056.db2.gz UAOGOGXWNSLEPY-STQMWFEESA-N 1 3 210.365 2.106 10 0 BEAEHO CC(C)CN1CCC[C@]12C[NH2+]C[C@@H](C)C2 ZINC000757133725 586427057 /nfs/dbraw/zinc/42/70/57/586427057.db2.gz UAOGOGXWNSLEPY-STQMWFEESA-N 1 3 210.365 2.106 10 0 BEAEHO CCN1CCC2(CC1)[NH2+][C@@H](C(C)(C)C)CCO2 ZINC000757143998 586428516 /nfs/dbraw/zinc/42/85/16/586428516.db2.gz ZJYUTENRRSARQF-GFCCVEGCSA-N 1 3 240.391 2.223 10 0 BEAEHO C[C@@H]1C[C@H](C)[C@H](C[NH3+])[C@H](c2cccs2)N1 ZINC000757217122 586441281 /nfs/dbraw/zinc/44/12/81/586441281.db2.gz RFQVOEIUGANPQQ-MIZYBKAJSA-N 1 3 224.373 2.382 10 0 BEAEHO C[C@@H]1C[C@@H](N)C[NH2+][C@H]1c1cccc2cc[nH]c21 ZINC000757218278 586441820 /nfs/dbraw/zinc/44/18/20/586441820.db2.gz UVPNDTQWTUYJTK-IRUJWGPZSA-N 1 3 229.327 2.166 10 0 BEAEHO C[C@@H](C[NH2+]CCc1ccccc1)CN(C)C ZINC000309727253 632661151 /nfs/dbraw/zinc/66/11/51/632661151.db2.gz DKDFMODONAWRQF-ZDUSSCGKSA-N 1 3 220.360 2.016 10 0 BEAEHO C[C@@H]1CN([C@@H]2C[C@@H]2c2ccccc2)CC[C@@H]1[NH3+] ZINC000044677453 643547843 /nfs/dbraw/zinc/54/78/43/643547843.db2.gz YIRKCKKSGODIAD-REBRKWNGSA-N 1 3 230.355 2.212 10 0 BEAEHO C[C@@H]1CNC[C@H](C)[C@H]1[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000685951910 644518572 /nfs/dbraw/zinc/51/85/72/644518572.db2.gz ZAVXHTSGWWHUDN-KCLGILNXSA-N 1 3 224.392 2.493 10 0 BEAEHO C[C@@H]1CNC[C@H](C)[C@H]1[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000685951910 644518578 /nfs/dbraw/zinc/51/85/78/644518578.db2.gz ZAVXHTSGWWHUDN-KCLGILNXSA-N 1 3 224.392 2.493 10 0 BEAEHO C[C@H](CC[NH2+][C@@H]1CCC[C@H]2C[C@H]21)N(C)C ZINC000700454314 711995075 /nfs/dbraw/zinc/99/50/75/711995075.db2.gz IXSHDOMEIHBGTQ-YVECIDJPSA-N 1 3 210.365 2.105 10 0 BEAEHO CCC1(N)CC[NH+](C(C2CC2)C2CC2)CC1 ZINC000714754916 712497537 /nfs/dbraw/zinc/49/75/37/712497537.db2.gz ZMVIHHJOULNDAN-UHFFFAOYSA-N 1 3 222.376 2.378 10 0 BEAEHO Cc1cc(N(C)CCC[NH3+])c2ccccc2n1 ZINC000035697563 178099034 /nfs/dbraw/zinc/09/90/34/178099034.db2.gz CXCOLIMJQYPIBI-UHFFFAOYSA-N 1 3 229.327 2.328 10 0 BEAEHO Cc1cc2nc(N)n(CCC[NH+](C)C)c2cc1C ZINC000075415136 178301612 /nfs/dbraw/zinc/30/16/12/178301612.db2.gz IVIDCAXSMQBVPO-UHFFFAOYSA-N 1 3 246.358 2.187 10 0 BEAEHO FC1(F)CCCC[C@@H]1C[N@@H+]1CCCNCC1 ZINC000381729040 398254842 /nfs/dbraw/zinc/25/48/42/398254842.db2.gz SLDWPTHUWFQBKQ-LLVKDONJSA-N 1 3 232.318 2.107 10 0 BEAEHO FC1(F)CCCC[C@@H]1C[N@H+]1CCCNCC1 ZINC000381729040 398254843 /nfs/dbraw/zinc/25/48/43/398254843.db2.gz SLDWPTHUWFQBKQ-LLVKDONJSA-N 1 3 232.318 2.107 10 0 BEAEHO CCC(CC)N(CCO)CCC[NH2+]C(C)(C)C ZINC000042513784 168374439 /nfs/dbraw/zinc/37/44/39/168374439.db2.gz QHNJTIHNURCOHX-UHFFFAOYSA-N 1 3 244.423 2.248 10 0 BEAEHO C[C@@H]1CN(C[C@H]2CCCCC2(F)F)CC[C@H]1[NH3+] ZINC000381623635 398267160 /nfs/dbraw/zinc/26/71/60/398267160.db2.gz SUDJKLNVDHTOSJ-IJLUTSLNSA-N 1 3 246.345 2.481 10 0 BEAEHO C[C@]1(CN)CC[N@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000381690694 398269550 /nfs/dbraw/zinc/26/95/50/398269550.db2.gz NKWPOQMYGBDPDQ-NWDGAFQWSA-N 1 3 246.345 2.483 10 0 BEAEHO C[C@]1(CN)CC[N@@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000381690694 398269553 /nfs/dbraw/zinc/26/95/53/398269553.db2.gz NKWPOQMYGBDPDQ-NWDGAFQWSA-N 1 3 246.345 2.483 10 0 BEAEHO C[N@H+](C[C@H]1CCCCC1(F)F)C1CCNCC1 ZINC000381667189 398268981 /nfs/dbraw/zinc/26/89/81/398268981.db2.gz KPCPQYSMBQCZSQ-LLVKDONJSA-N 1 3 246.345 2.496 10 0 BEAEHO C[N@@H+](C[C@H]1CCCCC1(F)F)C1CCNCC1 ZINC000381667189 398268984 /nfs/dbraw/zinc/26/89/84/398268984.db2.gz KPCPQYSMBQCZSQ-LLVKDONJSA-N 1 3 246.345 2.496 10 0 BEAEHO CCCCN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037916080 398335272 /nfs/dbraw/zinc/33/52/72/398335272.db2.gz YXOKMQJJFIBUQN-STQMWFEESA-N 1 3 210.365 2.251 10 0 BEAEHO C[C@H]([NH2+][C@H]1CCN2CCC[C@@H]2C1)C1(C)CC1 ZINC000130219178 136372602 /nfs/dbraw/zinc/37/26/02/136372602.db2.gz XFXDIWCKFYAMSY-RWMBFGLXSA-N 1 3 222.376 2.391 10 0 BEAEHO CC(C)N1CC[C@H](C[NH2+][C@@H](C)[C@H]2C[C@H]2C)C1 ZINC000321657778 343503922 /nfs/dbraw/zinc/50/39/22/343503922.db2.gz WHVICIVLOGPDPJ-RQJABVFESA-N 1 3 224.392 2.351 10 0 BEAEHO CCC1CC[NH+](C[C@@H](N)CC(C)C)CC1 ZINC000042447412 344454170 /nfs/dbraw/zinc/45/41/70/344454170.db2.gz BRVMUSRKKBUJKJ-ZDUSSCGKSA-N 1 3 212.381 2.482 10 0 BEAEHO C[C@@H]1C[N@H+](CC2CCC(C)CC2)C[C@H]1CN ZINC000634998823 345199717 /nfs/dbraw/zinc/19/97/17/345199717.db2.gz LNMBPUFFIDWKEM-FKZOYECMSA-N 1 3 224.392 2.339 10 0 BEAEHO C[C@@H]1C[N@@H+](CC2CCC(C)CC2)C[C@H]1CN ZINC000634998823 345199720 /nfs/dbraw/zinc/19/97/20/345199720.db2.gz LNMBPUFFIDWKEM-FKZOYECMSA-N 1 3 224.392 2.339 10 0 BEAEHO C[C@H]1C[N@H+](C[C@H]2CCC[C@@H](C)C2)C[C@H]1CN ZINC000634999736 345200759 /nfs/dbraw/zinc/20/07/59/345200759.db2.gz YKJLQUOWKUPZSJ-ZOBORPQBSA-N 1 3 224.392 2.339 10 0 BEAEHO C[C@H]1C[N@@H+](C[C@H]2CCC[C@@H](C)C2)C[C@H]1CN ZINC000634999736 345200762 /nfs/dbraw/zinc/20/07/62/345200762.db2.gz YKJLQUOWKUPZSJ-ZOBORPQBSA-N 1 3 224.392 2.339 10 0 BEAEHO CC1(C)C[N@H+](Cc2ccccc2)CCCN1 ZINC000062609110 346290902 /nfs/dbraw/zinc/29/09/02/346290902.db2.gz GRLPGXXRGGUACN-UHFFFAOYSA-N 1 3 218.344 2.261 10 0 BEAEHO CC1(C)C[N@@H+](Cc2ccccc2)CCCN1 ZINC000062609110 346290904 /nfs/dbraw/zinc/29/09/04/346290904.db2.gz GRLPGXXRGGUACN-UHFFFAOYSA-N 1 3 218.344 2.261 10 0 BEAEHO C[C@H](CC(F)(F)F)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000577161774 365848164 /nfs/dbraw/zinc/84/81/64/365848164.db2.gz RAPDVESTPNJPBE-OPRDCNLKSA-N 1 3 238.297 2.305 10 0 BEAEHO COc1ccc([C@H](NCCC[NH3+])C2CC2)cc1 ZINC000037713780 187392807 /nfs/dbraw/zinc/39/28/07/187392807.db2.gz OJXCVURPTSUALQ-CQSZACIVSA-N 1 3 234.343 2.085 10 0 BEAEHO CCC[N@H+](C)Cc1cccc2c1CCNC2 ZINC000125647592 490439485 /nfs/dbraw/zinc/43/94/85/490439485.db2.gz YHTPAOMQZJXNCD-UHFFFAOYSA-N 1 3 218.344 2.174 10 0 BEAEHO CCC[N@@H+](C)Cc1cccc2c1CCNC2 ZINC000125647592 490439487 /nfs/dbraw/zinc/43/94/87/490439487.db2.gz YHTPAOMQZJXNCD-UHFFFAOYSA-N 1 3 218.344 2.174 10 0 BEAEHO CC(C)C[C@@H](C)[NH2+]C[C@@H](C)CN(C)C ZINC000336683440 191125533 /nfs/dbraw/zinc/12/55/33/191125533.db2.gz IVPOSSPCLJGCPM-VXGBXAGGSA-N 1 3 200.370 2.208 10 0 BEAEHO CN1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000306824525 351132405 /nfs/dbraw/zinc/13/24/05/351132405.db2.gz USAALUUCCKLXMC-CABCVRRESA-N 1 3 230.355 2.070 10 0 BEAEHO CN1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000306824525 351132406 /nfs/dbraw/zinc/13/24/06/351132406.db2.gz USAALUUCCKLXMC-CABCVRRESA-N 1 3 230.355 2.070 10 0 BEAEHO CCC1(C[NH2+][C@@H](C)[C@H]2CCCNC2)CC1 ZINC000572111826 323540136 /nfs/dbraw/zinc/54/01/36/323540136.db2.gz XGCCJOKHMJYTTB-RYUDHWBXSA-N 1 3 210.365 2.154 10 0 BEAEHO CC[C@H](C)C[NH2+][C@]12CCN[C@@H]1CCCC2 ZINC000725272150 538103789 /nfs/dbraw/zinc/10/37/89/538103789.db2.gz MZGLISZHZVHNPD-YNEHKIRRSA-N 1 3 210.365 2.297 10 0 BEAEHO C[C@@H]1C[NH2+]CC[C@@H]1N(C)Cc1ccccc1 ZINC000307384499 352511488 /nfs/dbraw/zinc/51/14/88/352511488.db2.gz ITVSTUGUEOABOT-OCCSQVGLSA-N 1 3 218.344 2.116 10 0 BEAEHO C[C@@H]1CNCC[C@@H]1[N@H+](C)Cc1ccccc1 ZINC000307384499 352511489 /nfs/dbraw/zinc/51/14/89/352511489.db2.gz ITVSTUGUEOABOT-OCCSQVGLSA-N 1 3 218.344 2.116 10 0 BEAEHO C[C@@H]1CNCC[C@@H]1[N@@H+](C)Cc1ccccc1 ZINC000307384499 352511493 /nfs/dbraw/zinc/51/14/93/352511493.db2.gz ITVSTUGUEOABOT-OCCSQVGLSA-N 1 3 218.344 2.116 10 0 BEAEHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@]1(C)CN ZINC000307406152 352581255 /nfs/dbraw/zinc/58/12/55/352581255.db2.gz DCDLJOKASDKHAU-OCCSQVGLSA-N 1 3 218.344 2.103 10 0 BEAEHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@]1(C)CN ZINC000307406152 352581258 /nfs/dbraw/zinc/58/12/58/352581258.db2.gz DCDLJOKASDKHAU-OCCSQVGLSA-N 1 3 218.344 2.103 10 0 BEAEHO C1=C(CN[C@H]2CCC[NH2+]CC2)CCCC1 ZINC000336235636 188083479 /nfs/dbraw/zinc/08/34/79/188083479.db2.gz CFRLVVGIIWVNKL-ZDUSSCGKSA-N 1 3 208.349 2.219 10 0 BEAEHO C[C@H]1C[NH2+][C@H](c2ccc(OCCN(C)C)cc2)C1 ZINC000003705117 188101595 /nfs/dbraw/zinc/10/15/95/188101595.db2.gz NUAMEKJUQIMRNT-DOMZBBRYSA-N 1 3 248.370 2.298 10 0 BEAEHO CC(C)(NCc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000038587384 188117061 /nfs/dbraw/zinc/11/70/61/188117061.db2.gz LPDLTLBVGLFEMJ-CYBMUJFWSA-N 1 3 218.344 2.164 10 0 BEAEHO CC(C)[C@H](C)C[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000577946804 366126182 /nfs/dbraw/zinc/12/61/82/366126182.db2.gz SZKYAEAMMQCVBG-JHJVBQTASA-N 1 3 212.381 2.256 10 0 BEAEHO [NH2+]=C(N[C@@H]1CCN2CCCC[C@H]12)C1CCCC1 ZINC000062993326 181200567 /nfs/dbraw/zinc/20/05/67/181200567.db2.gz MAYMVDJYHZCYKB-CHWSQXEVSA-N 1 3 235.375 2.370 10 0 BEAEHO CCN1CC[C@@H]([NH3+])C[C@@H]1c1cccc(C)c1 ZINC000675055571 538475670 /nfs/dbraw/zinc/47/56/70/538475670.db2.gz VEKJNMBFSFMXOD-ZIAGYGMSSA-N 1 3 218.344 2.479 10 0 BEAEHO CCN1CC[C@H]([NH3+])C[C@@H]1c1cccc(C)c1 ZINC000675055569 538476040 /nfs/dbraw/zinc/47/60/40/538476040.db2.gz VEKJNMBFSFMXOD-UONOGXRCSA-N 1 3 218.344 2.479 10 0 BEAEHO C[C@@H]([NH2+]C[C@H]1CCC[C@H]1C)[C@@H]1CCCNC1 ZINC000583018739 357450229 /nfs/dbraw/zinc/45/02/29/357450229.db2.gz MUQZJNWSWYYFQJ-AAVRWANBSA-N 1 3 224.392 2.400 10 0 BEAEHO C[C@H]1CNC[C@H](C)C1[N@@H+]1CCCC1(C)C ZINC000685951373 538894475 /nfs/dbraw/zinc/89/44/75/538894475.db2.gz RMTLHLBEAMRCFX-QWRGUYRKSA-N 1 3 210.365 2.105 10 0 BEAEHO C[C@H]1CNC[C@H](C)C1[N@H+]1CCCC1(C)C ZINC000685951373 538894476 /nfs/dbraw/zinc/89/44/76/538894476.db2.gz RMTLHLBEAMRCFX-QWRGUYRKSA-N 1 3 210.365 2.105 10 0 BEAEHO CCC[N@H+](C(C)C)C1[C@H](C)CNC[C@H]1C ZINC000685950985 538894810 /nfs/dbraw/zinc/89/48/10/538894810.db2.gz KPHRFJLPWKCAEX-VXGBXAGGSA-N 1 3 212.381 2.351 10 0 BEAEHO CCC[N@@H+](C(C)C)C1[C@H](C)CNC[C@H]1C ZINC000685950985 538894811 /nfs/dbraw/zinc/89/48/11/538894811.db2.gz KPHRFJLPWKCAEX-VXGBXAGGSA-N 1 3 212.381 2.351 10 0 BEAEHO C[C@H]1CNC[C@H](C)C1[N@@H+]1CCSC(C)(C)C1 ZINC000685951424 538895052 /nfs/dbraw/zinc/89/50/52/538895052.db2.gz UALCUEDQHWQAME-QWRGUYRKSA-N 1 3 242.432 2.058 10 0 BEAEHO C[C@H]1CNC[C@H](C)C1[N@H+]1CCSC(C)(C)C1 ZINC000685951424 538895053 /nfs/dbraw/zinc/89/50/53/538895053.db2.gz UALCUEDQHWQAME-QWRGUYRKSA-N 1 3 242.432 2.058 10 0 BEAEHO C[C@H]1C[NH2+]C[C@H](C)C1N1CCSC(C)(C)C1 ZINC000685951424 538895054 /nfs/dbraw/zinc/89/50/54/538895054.db2.gz UALCUEDQHWQAME-QWRGUYRKSA-N 1 3 242.432 2.058 10 0 BEAEHO C[C@H](NCCc1ccsc1)[C@H]1CCC[NH2+]C1 ZINC000584833976 358197076 /nfs/dbraw/zinc/19/70/76/358197076.db2.gz BCYZPULDEVOPCB-AAEUAGOBSA-N 1 3 238.400 2.268 10 0 BEAEHO C[C@H]([NH2+]CCc1ccsc1)[C@H]1CCCNC1 ZINC000584833976 358197079 /nfs/dbraw/zinc/19/70/79/358197079.db2.gz BCYZPULDEVOPCB-AAEUAGOBSA-N 1 3 238.400 2.268 10 0 BEAEHO C[C@@H](c1ccccc1)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193600392 358434436 /nfs/dbraw/zinc/43/44/36/358434436.db2.gz XXQYPRWOZKUAMD-AEGPPILISA-N 1 3 230.355 2.241 10 0 BEAEHO C[C@@H](c1ccccc1)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000193600392 358434441 /nfs/dbraw/zinc/43/44/41/358434441.db2.gz XXQYPRWOZKUAMD-AEGPPILISA-N 1 3 230.355 2.241 10 0 BEAEHO CC[C@H](CSC)[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000578518560 366588311 /nfs/dbraw/zinc/58/83/11/366588311.db2.gz UWEIJYYJOUKYGD-SDDRHHMPSA-N 1 3 230.421 2.106 10 0 BEAEHO COCCC(C)(C)C[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000578738381 366634767 /nfs/dbraw/zinc/63/47/67/366634767.db2.gz OULGVVMDYGVDLW-STQMWFEESA-N 1 3 242.407 2.027 10 0 BEAEHO C[C@H]([NH2+]CC[C@@H]1CC1(F)F)[C@@H]1CCCNC1 ZINC000622044091 370675316 /nfs/dbraw/zinc/67/53/16/370675316.db2.gz UMYWQASWHVYMRA-HBNTYKKESA-N 1 3 232.318 2.009 10 0 BEAEHO C[C@@H]1CN(c2ccnc3ccccc32)C[C@@H]1C[NH3+] ZINC000630568774 364264365 /nfs/dbraw/zinc/26/43/65/364264365.db2.gz KHRGEUAJCSIVIG-NEPJUHHUSA-N 1 3 241.338 2.266 10 0 BEAEHO [NH3+]CCCN[C@@H]1CCCc2sccc21 ZINC000061328165 181383109 /nfs/dbraw/zinc/38/31/09/181383109.db2.gz NYBHLCIENHYMCQ-SNVBAGLBSA-N 1 3 210.346 2.064 10 0 BEAEHO [NH3+]CCCN[C@@H]1CCCCc2ccccc21 ZINC000037713152 181383275 /nfs/dbraw/zinc/38/32/75/181383275.db2.gz KJEAFQXHLCBUSW-CQSZACIVSA-N 1 3 218.344 2.393 10 0 BEAEHO [NH3+]CCCNCCSc1ccc(Cl)cc1 ZINC000027208349 181383321 /nfs/dbraw/zinc/38/33/21/181383321.db2.gz CAPWHQAYDTXGEY-UHFFFAOYSA-N 1 3 244.791 2.371 10 0 BEAEHO C[C@@H]1C[C@H]([NH+]2[C@@H](C)CCC[C@@H]2C)CCN1 ZINC000675056247 541462407 /nfs/dbraw/zinc/46/24/07/541462407.db2.gz NBIOJMORQJJEIV-MROQNXINSA-N 1 3 210.365 2.390 10 0 BEAEHO C[C@H]([NH2+]CCC1(F)CCC1)[C@H]1CCCNC1 ZINC000581878534 367865789 /nfs/dbraw/zinc/86/57/89/367865789.db2.gz NDBNJWWHDSXGLN-RYUDHWBXSA-N 1 3 228.355 2.246 10 0 BEAEHO [NH3+][C@@H]1CCC[C@@]12CCN(Cc1ccccc1)C2 ZINC000101467051 368383887 /nfs/dbraw/zinc/38/38/87/368383887.db2.gz XSLBNUDXCRSMOS-CABCVRRESA-N 1 3 230.355 2.390 10 0 BEAEHO [NH3+]C1([C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000215116917 369091168 /nfs/dbraw/zinc/09/11/68/369091168.db2.gz VIPFPSNLUKVPIB-CQSZACIVSA-N 1 3 230.355 2.390 10 0 BEAEHO C[C@@H]1C[N@H+](CCC(C)(C)C2CC2)C[C@@H]1CN ZINC000631838044 369114682 /nfs/dbraw/zinc/11/46/82/369114682.db2.gz YVLYQWMHUAAIBZ-NEPJUHHUSA-N 1 3 224.392 2.339 10 0 BEAEHO C[C@@H]1C[N@@H+](CCC(C)(C)C2CC2)C[C@@H]1CN ZINC000631838044 369114686 /nfs/dbraw/zinc/11/46/86/369114686.db2.gz YVLYQWMHUAAIBZ-NEPJUHHUSA-N 1 3 224.392 2.339 10 0 BEAEHO C[C@H]([NH2+]CCCC(F)(F)F)[C@H]1CCCNC1 ZINC000567645827 326238093 /nfs/dbraw/zinc/23/80/93/326238093.db2.gz AUCGHNNWGBKXIZ-UWVGGRQHSA-N 1 3 238.297 2.307 10 0 BEAEHO CC(C)C[C@H](C)C[N@@H+]1C[C@H](C)[C@H](CN)C1 ZINC000631838931 372634272 /nfs/dbraw/zinc/63/42/72/372634272.db2.gz XFNPIURGBFOAOT-RWMBFGLXSA-N 1 3 212.381 2.195 10 0 BEAEHO CC(C)C[C@H](C)C[N@H+]1C[C@H](C)[C@H](CN)C1 ZINC000631838931 372634276 /nfs/dbraw/zinc/63/42/76/372634276.db2.gz XFNPIURGBFOAOT-RWMBFGLXSA-N 1 3 212.381 2.195 10 0 BEAEHO C[C@H](c1cccc(F)c1)N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631839373 372636591 /nfs/dbraw/zinc/63/65/91/372636591.db2.gz FPLXSOGBFIQVLW-WZRBSPASSA-N 1 3 236.334 2.413 10 0 BEAEHO CCCC[C@H]([NH3+])CN(CCN(C)C)CC(C)C ZINC000042781918 169009372 /nfs/dbraw/zinc/00/93/72/169009372.db2.gz NZWXARTYCODNOV-AWEZNQCLSA-N 1 3 243.439 2.024 10 0 BEAEHO CCCN(C(C)C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747651 169048807 /nfs/dbraw/zinc/04/88/07/169048807.db2.gz CYLSWHORXRESQU-FUNVUKJBSA-N 1 3 210.365 2.390 10 0 BEAEHO CCCN(CC[NH2+]C(CC)CC)CCN(C)C ZINC000053435965 169159272 /nfs/dbraw/zinc/15/92/72/169159272.db2.gz WOZXJXSSGMERSO-UHFFFAOYSA-N 1 3 243.439 2.038 10 0 BEAEHO c1[nH]c2ccncc2c1C1CC[NH2+]CC1 ZINC000082382092 183363149 /nfs/dbraw/zinc/36/31/49/183363149.db2.gz QVRSFBCEBCYYBS-UHFFFAOYSA-N 1 3 201.273 2.030 10 0 BEAEHO CCC[NH2+]CCCN(CCO)C1CCCCC1 ZINC000042513807 169257072 /nfs/dbraw/zinc/25/70/72/169257072.db2.gz UVBOTVVJCQIKRL-UHFFFAOYSA-N 1 3 242.407 2.003 10 0 BEAEHO c1ccc(CCC[NH2+][C@@H]2CCCNCC2)cc1 ZINC000128883111 183391349 /nfs/dbraw/zinc/39/13/49/183391349.db2.gz FGVJVWVNZNIZKP-OAHLLOKOSA-N 1 3 232.371 2.351 10 0 BEAEHO c1ccc(CCCN[C@@H]2CCC[NH2+]CC2)cc1 ZINC000128883111 183391352 /nfs/dbraw/zinc/39/13/52/183391352.db2.gz FGVJVWVNZNIZKP-OAHLLOKOSA-N 1 3 232.371 2.351 10 0 BEAEHO CCC[NH2+]Cc1sc(CCN(C)C)nc1C ZINC000082421767 169269409 /nfs/dbraw/zinc/26/94/09/169269409.db2.gz VYLNFDPAOUSFJG-UHFFFAOYSA-N 1 3 241.404 2.055 10 0 BEAEHO c1ccc(CN2CCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000082346760 183399318 /nfs/dbraw/zinc/39/93/18/183399318.db2.gz AIXYZOFSNKRARQ-HUUCEWRRSA-N 1 3 230.355 2.261 10 0 BEAEHO C[C@@H]1C[C@H](N)[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000068593039 384002152 /nfs/dbraw/zinc/00/21/52/384002152.db2.gz MPGWATXLKGPBOP-DYEKYZERSA-N 1 3 218.344 2.244 10 0 BEAEHO C[C@@H]1C[C@H](N)[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000068593039 384002157 /nfs/dbraw/zinc/00/21/57/384002157.db2.gz MPGWATXLKGPBOP-DYEKYZERSA-N 1 3 218.344 2.244 10 0 BEAEHO Cc1ccc2nccc(N3CC[C@H]([NH3+])C3)c2c1 ZINC000073738630 384020888 /nfs/dbraw/zinc/02/08/88/384020888.db2.gz LAEHGBQGGCPNQI-NSHDSACASA-N 1 3 227.311 2.081 10 0 BEAEHO C[N@H+](C[C@H]1CCC(F)(F)C1)[C@H]1CCCNCC1 ZINC000302315797 384141271 /nfs/dbraw/zinc/14/12/71/384141271.db2.gz BSXGTXXWHUMIPC-RYUDHWBXSA-N 1 3 246.345 2.496 10 0 BEAEHO C[N@@H+](C[C@H]1CCC(F)(F)C1)[C@H]1CCCNCC1 ZINC000302315797 384141275 /nfs/dbraw/zinc/14/12/75/384141275.db2.gz BSXGTXXWHUMIPC-RYUDHWBXSA-N 1 3 246.345 2.496 10 0 BEAEHO CS[C@@H]1CCCC[N@H+](C[C@H]2CCCNC2)C1 ZINC000336460625 384230436 /nfs/dbraw/zinc/23/04/36/384230436.db2.gz OMKRDNQHACRNCX-QWHCGFSZSA-N 1 3 242.432 2.204 10 0 BEAEHO CS[C@@H]1CCCC[N@@H+](C[C@H]2CCCNC2)C1 ZINC000336460625 384230438 /nfs/dbraw/zinc/23/04/38/384230438.db2.gz OMKRDNQHACRNCX-QWHCGFSZSA-N 1 3 242.432 2.204 10 0 BEAEHO CN1C=C[C@@H](C[NH3+])C=C1Cc1ccccc1 ZINC000100271510 384631344 /nfs/dbraw/zinc/63/13/44/384631344.db2.gz SZRAFFVEQWNMNY-CYBMUJFWSA-N 1 3 214.312 2.147 10 0 BEAEHO C[C@H](C[NH2+][C@H]1CCC[C@H]1CCF)CN(C)C ZINC000336733735 385643838 /nfs/dbraw/zinc/64/38/38/385643838.db2.gz GQXPWPNLKYKCOL-AGIUHOORSA-N 1 3 230.371 2.302 10 0 BEAEHO FC1(F)CCC[C@H](N[C@@H]2CCC[NH2+]CC2)C1 ZINC000335035647 385925155 /nfs/dbraw/zinc/92/51/55/385925155.db2.gz WYFMBSJGGAINBI-MNOVXSKESA-N 1 3 232.318 2.296 10 0 BEAEHO FC1(F)CCC[C@H]([NH2+][C@@H]2CCCNCC2)C1 ZINC000335035647 385925164 /nfs/dbraw/zinc/92/51/64/385925164.db2.gz WYFMBSJGGAINBI-MNOVXSKESA-N 1 3 232.318 2.296 10 0 BEAEHO C[C@H]([NH2+]CC1CC(C)(C)C1)[C@H]1CCCNC1 ZINC000520216769 386602279 /nfs/dbraw/zinc/60/22/79/386602279.db2.gz DLYURNFPCJIEBM-AAEUAGOBSA-N 1 3 224.392 2.400 10 0 BEAEHO CC(C)COCCC[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000520393119 386661416 /nfs/dbraw/zinc/66/14/16/386661416.db2.gz COAKEVNHLFIVQQ-UONOGXRCSA-N 1 3 242.407 2.027 10 0 BEAEHO CC(C)COCCC[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000520393118 386662284 /nfs/dbraw/zinc/66/22/84/386662284.db2.gz COAKEVNHLFIVQQ-KGLIPLIRSA-N 1 3 242.407 2.027 10 0 BEAEHO CCCC1(C[NH2+]C2CCNCC2)CCC1 ZINC000391803630 386665348 /nfs/dbraw/zinc/66/53/48/386665348.db2.gz JJGKCJYCEYWITO-UHFFFAOYSA-N 1 3 210.365 2.298 10 0 BEAEHO C[C@@H]([NH2+]C1C2CC3CC(C2)CC1C3)C1CNC1 ZINC000335010767 387107631 /nfs/dbraw/zinc/10/76/31/387107631.db2.gz PGTCABZRYLTPGK-LHALRJPCSA-N 1 3 234.387 2.009 10 0 BEAEHO N[C@H](CCC[NH3+])c1c(F)ccc(F)c1Cl ZINC000575439932 387125192 /nfs/dbraw/zinc/12/51/92/387125192.db2.gz ZHWBODIQYFDUAZ-MRVPVSSYSA-N 1 3 234.677 2.357 10 0 BEAEHO N[C@@H](CCCC[NH3+])c1c(F)cc(F)cc1F ZINC000575440138 387128063 /nfs/dbraw/zinc/12/80/63/387128063.db2.gz JTSLTANBUJAEIL-JTQLQIEISA-N 1 3 232.249 2.233 10 0 BEAEHO N[C@@H](CCC[NH3+])c1ccccc1OC(F)F ZINC000575438282 387129369 /nfs/dbraw/zinc/12/93/69/387129369.db2.gz GXDBOEOYNIOGAE-VIFPVBQESA-N 1 3 230.258 2.027 10 0 BEAEHO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]CC1CNC1 ZINC000423308059 387143557 /nfs/dbraw/zinc/14/35/57/387143557.db2.gz XGKTYCKNCIMQRM-CHWSQXEVSA-N 1 3 224.392 2.400 10 0 BEAEHO CC(C)CCOCCN[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000514872177 387305985 /nfs/dbraw/zinc/30/59/85/387305985.db2.gz CNIYRLDRPMSTKJ-ZIAGYGMSSA-N 1 3 242.407 2.027 10 0 BEAEHO CC(C)CCOCC[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000514872177 387305993 /nfs/dbraw/zinc/30/59/93/387305993.db2.gz CNIYRLDRPMSTKJ-ZIAGYGMSSA-N 1 3 242.407 2.027 10 0 BEAEHO C[C@@H](NCCC(C)(F)F)[C@H]1CCC[NH2+]C1 ZINC000643491397 387665323 /nfs/dbraw/zinc/66/53/23/387665323.db2.gz IFZHQBOGAVOCSK-ZJUUUORDSA-N 1 3 220.307 2.009 10 0 BEAEHO C[C@@H]([NH2+]CCC(C)(F)F)[C@H]1CCCNC1 ZINC000643491397 387665327 /nfs/dbraw/zinc/66/53/27/387665327.db2.gz IFZHQBOGAVOCSK-ZJUUUORDSA-N 1 3 220.307 2.009 10 0 BEAEHO C1=CC[C@@H](CC[NH2+][C@H]2CCCNCC2)CC1 ZINC000530218256 388631873 /nfs/dbraw/zinc/63/18/73/388631873.db2.gz KYJILYARMYOTIU-KGLIPLIRSA-N 1 3 222.376 2.465 10 0 BEAEHO C[C@@H](NC[C@@H](C)c1ccccc1)[C@H]1CC[NH2+]C1 ZINC000400396410 533409533 /nfs/dbraw/zinc/40/95/33/533409533.db2.gz JMJQZLZYFZJXHZ-NFAWXSAZSA-N 1 3 232.371 2.378 10 0 BEAEHO CN(C)[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CC=CCC2)C1 ZINC000218951101 134268781 /nfs/dbraw/zinc/26/87/81/134268781.db2.gz KBTWUDRZFDXDHA-MGPQQGTHSA-N 1 3 222.376 2.415 10 0 BEAEHO CCC[C@@H]1C[C@@H]1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252728709 135102360 /nfs/dbraw/zinc/10/23/60/135102360.db2.gz CKUZDPSZJNLYIS-RFGFWPKPSA-N 1 3 222.376 2.391 10 0 BEAEHO CCC[C@@H]1C[C@@H]1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252728709 135102363 /nfs/dbraw/zinc/10/23/63/135102363.db2.gz CKUZDPSZJNLYIS-RFGFWPKPSA-N 1 3 222.376 2.391 10 0 BEAEHO NC[C@H]1CC[N@H+](C[C@H]2CCCC(F)(F)C2)C1 ZINC000261533069 135163875 /nfs/dbraw/zinc/16/38/75/135163875.db2.gz DMMMVAOWGRTAIL-WDEREUQCSA-N 1 3 232.318 2.093 10 0 BEAEHO NC[C@H]1CC[N@@H+](C[C@H]2CCCC(F)(F)C2)C1 ZINC000261533069 135163876 /nfs/dbraw/zinc/16/38/76/135163876.db2.gz DMMMVAOWGRTAIL-WDEREUQCSA-N 1 3 232.318 2.093 10 0 BEAEHO [NH3+]C[C@H]1CCN(C[C@H]2CCCC(F)(F)C2)C1 ZINC000261533069 135163877 /nfs/dbraw/zinc/16/38/77/135163877.db2.gz DMMMVAOWGRTAIL-WDEREUQCSA-N 1 3 232.318 2.093 10 0 BEAEHO C[C@H]1[C@@H]([NH3+])CCN1CC1CCC(C)CC1 ZINC000261536979 135172861 /nfs/dbraw/zinc/17/28/61/135172861.db2.gz ULIUWVVUIDXIOR-MVKMKZAISA-N 1 3 210.365 2.234 10 0 BEAEHO C[C@@]1(CN)CC[N@H+](C[C@H]2CCCC(F)(F)C2)C1 ZINC000261538259 135175232 /nfs/dbraw/zinc/17/52/32/135175232.db2.gz UNHYWDSVERHZFX-RYUDHWBXSA-N 1 3 246.345 2.483 10 0 BEAEHO C[C@@]1(CN)CC[N@@H+](C[C@H]2CCCC(F)(F)C2)C1 ZINC000261538259 135175233 /nfs/dbraw/zinc/17/52/33/135175233.db2.gz UNHYWDSVERHZFX-RYUDHWBXSA-N 1 3 246.345 2.483 10 0 BEAEHO C[NH2+]C[C@@H]1CCN(C[C@H]2CCCC(F)(F)C2)C1 ZINC000261538281 135175836 /nfs/dbraw/zinc/17/58/36/135175836.db2.gz VCIOJOMDSVQUED-RYUDHWBXSA-N 1 3 246.345 2.353 10 0 BEAEHO C[C@@H]1C[C@@H]([NH2+]CC2CNC2)CC(C)(C)C1 ZINC000335551109 136098153 /nfs/dbraw/zinc/09/81/53/136098153.db2.gz AJBKTLSBRMRLEW-ZYHUDNBSSA-N 1 3 210.365 2.010 10 0 BEAEHO CC(C)[NH2+]CCCCN1C[C@H](C)OC(C)(C)C1 ZINC000041681533 167103097 /nfs/dbraw/zinc/10/30/97/167103097.db2.gz MAGJEAUATZZFNU-ZDUSSCGKSA-N 1 3 242.407 2.264 10 0 BEAEHO CC(C)[NH2+]CCCCCN1CCOC(C)(C)C1 ZINC000052481869 167103135 /nfs/dbraw/zinc/10/31/35/167103135.db2.gz ILGCKEHNRPKSAM-UHFFFAOYSA-N 1 3 242.407 2.266 10 0 BEAEHO CC(C)OCCN(C)Cc1ccccc1C[NH3+] ZINC000049259284 167229964 /nfs/dbraw/zinc/22/99/64/167229964.db2.gz UJNVDHKJJQWBGQ-UHFFFAOYSA-N 1 3 236.359 2.002 10 0 BEAEHO CC1CCC(C[N@@H+]2CC[C@@H](CN)C2)CC1 ZINC000063145778 168153689 /nfs/dbraw/zinc/15/36/89/168153689.db2.gz QEEQCCAYYHLCRW-BPCQOVAHSA-N 1 3 210.365 2.093 10 0 BEAEHO CC1CCC(C[N@H+]2CC[C@@H](CN)C2)CC1 ZINC000063145778 168153690 /nfs/dbraw/zinc/15/36/90/168153690.db2.gz QEEQCCAYYHLCRW-BPCQOVAHSA-N 1 3 210.365 2.093 10 0 BEAEHO CC1CCC([N@@H+]2CCC[C@@H](CN)C2)CC1 ZINC000044527795 168159133 /nfs/dbraw/zinc/15/91/33/168159133.db2.gz TUJROXPGECJTIT-CPCZMJQVSA-N 1 3 210.365 2.236 10 0 BEAEHO CC1CCC([N@H+]2CCC[C@@H](CN)C2)CC1 ZINC000044527795 168159136 /nfs/dbraw/zinc/15/91/36/168159136.db2.gz TUJROXPGECJTIT-CPCZMJQVSA-N 1 3 210.365 2.236 10 0 BEAEHO CC1CCN(C[C@@H](C[NH3+])c2ccccc2)CC1 ZINC000035731263 168183373 /nfs/dbraw/zinc/18/33/73/168183373.db2.gz BDNOLYPBRJSNJG-OAHLLOKOSA-N 1 3 232.371 2.461 10 0 BEAEHO CC[NH2+]C[C@@H](C)CN1CCC(CC)CC1 ZINC000052346933 170119252 /nfs/dbraw/zinc/11/92/52/170119252.db2.gz MFAVTOZNMVAEEH-GFCCVEGCSA-N 1 3 212.381 2.354 10 0 BEAEHO CC[NH2+]C[C@@H]1CCCN(CCC(C)C)C1 ZINC000053653986 170120205 /nfs/dbraw/zinc/12/02/05/170120205.db2.gz ADSFUIOPBRBKFB-ZDUSSCGKSA-N 1 3 212.381 2.354 10 0 BEAEHO CC[NH2+]Cc1cccc(OCCN(C)C2CC2)c1 ZINC000052445379 170128515 /nfs/dbraw/zinc/12/85/15/170128515.db2.gz FGDXFUUMZJSIRA-UHFFFAOYSA-N 1 3 248.370 2.269 10 0 BEAEHO CC[NH2+][C@H]1CCCC[C@H]1CN1CCCC1 ZINC000060720685 170166237 /nfs/dbraw/zinc/16/62/37/170166237.db2.gz VBORMLQNBVKEGY-STQMWFEESA-N 1 3 210.365 2.251 10 0 BEAEHO CCOC1CCN(C[C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000053858547 170332196 /nfs/dbraw/zinc/33/21/96/170332196.db2.gz PFARLFLLUMGDNY-OCCSQVGLSA-N 1 3 240.391 2.005 10 0 BEAEHO C[C@H](NC1CCC([NH3+])CC1)c1cscn1 ZINC000229127585 487621433 /nfs/dbraw/zinc/62/14/33/487621433.db2.gz LMGGSQCJVRWOMX-IDKOKCKLSA-N 1 3 225.361 2.064 10 0 BEAEHO CC[C@@H]1CC[N@H+](CCC(C)C)CCCN1 ZINC000049663250 171009251 /nfs/dbraw/zinc/00/92/51/171009251.db2.gz YROBTDQJBRTQKQ-CYBMUJFWSA-N 1 3 212.381 2.497 10 0 BEAEHO CC[C@@H]1CC[N@@H+](CCC(C)C)CCCN1 ZINC000049663250 171009252 /nfs/dbraw/zinc/00/92/52/171009252.db2.gz YROBTDQJBRTQKQ-CYBMUJFWSA-N 1 3 212.381 2.497 10 0 BEAEHO CC[C@@H]1CCN(CCC(C)C)CCC[NH2+]1 ZINC000049663250 171009253 /nfs/dbraw/zinc/00/92/53/171009253.db2.gz YROBTDQJBRTQKQ-CYBMUJFWSA-N 1 3 212.381 2.497 10 0 BEAEHO CC[C@@H]1CCN([C@@H](C)[C@@H]2CCCO2)CCC[NH2+]1 ZINC000049666206 171013936 /nfs/dbraw/zinc/01/39/36/171013936.db2.gz UEFMLKVRMAZXMC-MJBXVCDLSA-N 1 3 240.391 2.018 10 0 BEAEHO CC[C@H](C)C[C@](CC)(C[NH3+])N(C)[C@@H](C)COC ZINC000042517714 171299145 /nfs/dbraw/zinc/29/91/45/171299145.db2.gz HUWMYJKSJPFJAB-MELADBBJSA-N 1 3 244.423 2.497 10 0 BEAEHO C[C@H]1CC[C@@](C)(C[NH2+][C@H]2CCNC2)C1(C)C ZINC000665238801 412178739 /nfs/dbraw/zinc/17/87/39/412178739.db2.gz DSGBALDRDZWNIB-OBJOEFQTSA-N 1 3 224.392 2.400 10 0 BEAEHO C[C@H]([NH2+]C[C@@H]1CCC[C@@H]2C[C@@H]21)[C@@H]1CCCNC1 ZINC000665263712 412207704 /nfs/dbraw/zinc/20/77/04/412207704.db2.gz SNBHHYWRNNDIMP-QRTUWBSPSA-N 1 3 236.403 2.400 10 0 BEAEHO C[C@H](NCC1=CCCC1)[C@H]1CCC[NH2+]C1 ZINC000665274535 412216809 /nfs/dbraw/zinc/21/68/09/412216809.db2.gz SDQKOSVGJNMSPO-AAEUAGOBSA-N 1 3 208.349 2.074 10 0 BEAEHO CN1CCC[C@H](C[NH3+])[C@@H]1c1ccccc1 ZINC000068590137 173041981 /nfs/dbraw/zinc/04/19/81/173041981.db2.gz XORZBVQTSUNZOY-OLZOCXBDSA-N 1 3 204.317 2.028 10 0 BEAEHO C[NH2+]CC[C@@H](C)N1CC[C@H](c2ccccc2)C1 ZINC000052373071 173357905 /nfs/dbraw/zinc/35/79/05/173357905.db2.gz GZAMFGQAVQNIBB-HIFRSBDPSA-N 1 3 232.371 2.474 10 0 BEAEHO C[NH2+]Cc1ccccc1OCCN1CCCCC1 ZINC000019777331 173390808 /nfs/dbraw/zinc/39/08/08/173390808.db2.gz LSJWMLONLYTOLT-UHFFFAOYSA-N 1 3 248.370 2.271 10 0 BEAEHO COC1CCN([C@@]2(C[NH3+])CCC[C@H](C)C2)CC1 ZINC000037265984 174030839 /nfs/dbraw/zinc/03/08/39/174030839.db2.gz BKRRVUJICLAIMI-JSGCOSHPSA-N 1 3 240.391 2.005 10 0 BEAEHO COCCN(CC(C)C)[C@H](C)CC[NH2+]C(C)C ZINC000052508778 174287114 /nfs/dbraw/zinc/28/71/14/174287114.db2.gz FYJNNJNMDHAWCV-CQSZACIVSA-N 1 3 244.423 2.367 10 0 BEAEHO COCC[N@H+](CC(C)C)[C@@H]1CCCC[C@@H]1CN ZINC000042367654 174287339 /nfs/dbraw/zinc/28/73/39/174287339.db2.gz QKDOEPZNOIORCN-ZIAGYGMSSA-N 1 3 242.407 2.108 10 0 BEAEHO COCC[N@@H+](CC(C)C)[C@@H]1CCCC[C@@H]1CN ZINC000042367654 174287341 /nfs/dbraw/zinc/28/73/41/174287341.db2.gz QKDOEPZNOIORCN-ZIAGYGMSSA-N 1 3 242.407 2.108 10 0 BEAEHO COCCN([C@@H](C)C1CC1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000042616134 174302366 /nfs/dbraw/zinc/30/23/66/174302366.db2.gz LLWMEZRYEKZCBE-FPMFFAJLSA-N 1 3 240.391 2.003 10 0 BEAEHO COc1ccc2c(c1)CCC[C@H]2NCCC[NH3+] ZINC000037713400 175207850 /nfs/dbraw/zinc/20/78/50/175207850.db2.gz WXVALGVDHFJRMN-CQSZACIVSA-N 1 3 234.343 2.011 10 0 BEAEHO C[C@@H]1CC[C@@H](CN)C[N@@H+]1CC1CCCC1 ZINC000042427489 176202663 /nfs/dbraw/zinc/20/26/63/176202663.db2.gz PPPDKNRTKUJMCH-YPMHNXCESA-N 1 3 210.365 2.236 10 0 BEAEHO C[C@@H]1CC[C@@H](CN)C[N@H+]1CC1CCCC1 ZINC000042427489 176202665 /nfs/dbraw/zinc/20/26/65/176202665.db2.gz PPPDKNRTKUJMCH-YPMHNXCESA-N 1 3 210.365 2.236 10 0 BEAEHO C[C@@H]1CNC[C@@H](C)C[NH+](C2CCCC2)C1 ZINC000049664909 176329182 /nfs/dbraw/zinc/32/91/82/176329182.db2.gz WGLNXLUHZJMZDZ-VXGBXAGGSA-N 1 3 210.365 2.106 10 0 BEAEHO C[C@H](c1cccs1)N1CCC[C@@H](C[NH3+])C1 ZINC000100256836 177049073 /nfs/dbraw/zinc/04/90/73/177049073.db2.gz MIHDNGGEPCMZHF-MNOVXSKESA-N 1 3 224.373 2.480 10 0 BEAEHO C[C@H]1CCCC[C@]1(CN)[N@H+](C)Cc1cccnc1 ZINC000036770989 177090153 /nfs/dbraw/zinc/09/01/53/177090153.db2.gz SOCLIGCQEAXWNE-DZGCQCFKSA-N 1 3 247.386 2.421 10 0 BEAEHO C[C@H]1CCCC[C@]1(CN)[N@@H+](C)Cc1cccnc1 ZINC000036770989 177090155 /nfs/dbraw/zinc/09/01/55/177090155.db2.gz SOCLIGCQEAXWNE-DZGCQCFKSA-N 1 3 247.386 2.421 10 0 BEAEHO C[C@H]1CCC[C@H](C)[NH+]1Cc1cccnc1C(=N)N ZINC000061657859 177131908 /nfs/dbraw/zinc/13/19/08/177131908.db2.gz CXIWKWIZBDVULW-QWRGUYRKSA-N 1 3 246.358 2.129 10 0 BEAEHO C[C@H]1CCN(Cc2cc(C[NH3+])ccc2F)C1 ZINC000040717025 177163514 /nfs/dbraw/zinc/16/35/14/177163514.db2.gz GXESIQLLABWTLC-JTQLQIEISA-N 1 3 222.307 2.126 10 0 BEAEHO C[C@H]1CC[N@H+](Cc2occc2CNC2CC2)C1 ZINC000052484377 177168731 /nfs/dbraw/zinc/16/87/31/177168731.db2.gz MTWCQXHSZYEZQZ-NSHDSACASA-N 1 3 234.343 2.373 10 0 BEAEHO C[C@H]1CC[N@@H+](Cc2occc2CNC2CC2)C1 ZINC000052484377 177168733 /nfs/dbraw/zinc/16/87/33/177168733.db2.gz MTWCQXHSZYEZQZ-NSHDSACASA-N 1 3 234.343 2.373 10 0 BEAEHO C[C@@H](Cc1ccco1)N1CCC[NH2+]C[C@H](C)C1 ZINC000049667150 177281263 /nfs/dbraw/zinc/28/12/63/177281263.db2.gz CWPHRDUJJMDDCH-STQMWFEESA-N 1 3 236.359 2.142 10 0 BEAEHO C[C@H]1CNCCC[N@@H+](C2CCCCC2)C1 ZINC000049665031 177281673 /nfs/dbraw/zinc/28/16/73/177281673.db2.gz MBOQMLQPOQGJCS-LBPRGKRZSA-N 1 3 210.365 2.251 10 0 BEAEHO C[C@H]1CNCCC[N@H+](C2CCCCC2)C1 ZINC000049665031 177281675 /nfs/dbraw/zinc/28/16/75/177281675.db2.gz MBOQMLQPOQGJCS-LBPRGKRZSA-N 1 3 210.365 2.251 10 0 BEAEHO C[C@@H](c1ccccc1)[N@@H+]1CCNC[C@H](C)C1 ZINC000049661335 177282540 /nfs/dbraw/zinc/28/25/40/177282540.db2.gz HTXVCTKKWFBJTI-STQMWFEESA-N 1 3 218.344 2.289 10 0 BEAEHO C[C@@H](c1ccccc1)[N@H+]1CCNC[C@H](C)C1 ZINC000049661335 177282541 /nfs/dbraw/zinc/28/25/41/177282541.db2.gz HTXVCTKKWFBJTI-STQMWFEESA-N 1 3 218.344 2.289 10 0 BEAEHO C[C@@H]1CNC[C@H](C)C[N@H+](C(C2CC2)C2CC2)C1 ZINC000049668087 177284670 /nfs/dbraw/zinc/28/46/70/177284670.db2.gz NERSHPNGSGXCDO-TXEJJXNPSA-N 1 3 236.403 2.352 10 0 BEAEHO C[C@@H]1CNC[C@H](C)C[N@@H+](C(C2CC2)C2CC2)C1 ZINC000049668087 177284672 /nfs/dbraw/zinc/28/46/72/177284672.db2.gz NERSHPNGSGXCDO-TXEJJXNPSA-N 1 3 236.403 2.352 10 0 BEAEHO C[C@H]1CNC[C@H](C)C[NH+](C2CCCCC2)C1 ZINC000049665034 177286019 /nfs/dbraw/zinc/28/60/19/177286019.db2.gz KOGHYQOULZTQSE-STQMWFEESA-N 1 3 224.392 2.497 10 0 BEAEHO C[C@@H]1C[C@H](C)C[N@@H+](C[C@@H]2CCC[C@@H]2N)C1 ZINC000053860468 177312727 /nfs/dbraw/zinc/31/27/27/177312727.db2.gz JCMILBPCTUUGHV-RNJOBUHISA-N 1 3 210.365 2.092 10 0 BEAEHO C[C@@H]1C[C@H](C)C[N@H+](C[C@@H]2CCC[C@@H]2N)C1 ZINC000053860468 177312728 /nfs/dbraw/zinc/31/27/28/177312728.db2.gz JCMILBPCTUUGHV-RNJOBUHISA-N 1 3 210.365 2.092 10 0 BEAEHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2cc(CN)co2)C1 ZINC000052420757 177313579 /nfs/dbraw/zinc/31/35/79/177313579.db2.gz SXKUSLNGRVOAEM-PHIMTYICSA-N 1 3 222.332 2.216 10 0 BEAEHO C[C@@H]1C[C@H](C)C[N@H+](Cc2cc(CN)co2)C1 ZINC000052420757 177313580 /nfs/dbraw/zinc/31/35/80/177313580.db2.gz SXKUSLNGRVOAEM-PHIMTYICSA-N 1 3 222.332 2.216 10 0 BEAEHO C[C@H](CN[C@@H](C)[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000400396414 226342605 /nfs/dbraw/zinc/34/26/05/226342605.db2.gz JMJQZLZYFZJXHZ-VNHYZAJKSA-N 1 3 232.371 2.378 10 0 BEAEHO CCN(CC[NH3+])c1ccnc2ccccc21 ZINC000082591967 487860990 /nfs/dbraw/zinc/86/09/90/487860990.db2.gz IQOFLFIHZFOKTJ-UHFFFAOYSA-N 1 3 215.300 2.020 10 0 BEAEHO C[C@H](CC1CCC1)[NH2+][C@@H]1CCC[C@H]1CN ZINC000666743697 487869772 /nfs/dbraw/zinc/86/97/72/487869772.db2.gz OUARPOHTBFNGAH-KGYLQXTDSA-N 1 3 210.365 2.282 10 0 BEAEHO C[C@H]([NH2+]C[C@H]1CC[C@@H](C)C1)[C@@H]1CCCNC1 ZINC000572593364 322994963 /nfs/dbraw/zinc/99/49/63/322994963.db2.gz NSVOIMKQFZLTOY-ZOBORPQBSA-N 1 3 224.392 2.400 10 0 BEAEHO CCC(C)(C)C[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000570262394 323054396 /nfs/dbraw/zinc/05/43/96/323054396.db2.gz QHKRNRVBADWGTE-VXGBXAGGSA-N 1 3 212.381 2.400 10 0 BEAEHO C[C@H]([NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1)[C@@H]1CCCNC1 ZINC000530207022 323209293 /nfs/dbraw/zinc/20/92/93/323209293.db2.gz CBYNUGFWFDDMGW-JARUQAPTSA-N 1 3 236.403 2.400 10 0 BEAEHO C[C@H]([NH2+]C[C@@H]1CC=CCC1)[C@H]1CCCNC1 ZINC000566791088 326082469 /nfs/dbraw/zinc/08/24/69/326082469.db2.gz PJVYFVPQFJADRS-MJBXVCDLSA-N 1 3 222.376 2.320 10 0 BEAEHO C[C@H]([NH2+]C[C@@H]1CC1(C)C)[C@H]1CCCNC1 ZINC000567579840 326221676 /nfs/dbraw/zinc/22/16/76/326221676.db2.gz KLNKPRACJOQONU-SRVKXCTJSA-N 1 3 210.365 2.010 10 0 BEAEHO Cc1ccc2nccc(NC[C@@H](C)[NH3+])c2c1 ZINC000257744913 488088034 /nfs/dbraw/zinc/08/80/34/488088034.db2.gz DOJUGOGPOQSVJU-SNVBAGLBSA-N 1 3 215.300 2.302 10 0 BEAEHO CC(C)[C@@H](N)CC[N@H+](C)[C@@H](C)C(C)C ZINC000227731470 487504698 /nfs/dbraw/zinc/50/46/98/487504698.db2.gz FZWFNVUGOHWPIL-RYUDHWBXSA-N 1 3 200.370 2.336 10 0 BEAEHO CC(C)[C@@H](N)CC[N@@H+](C)[C@@H](C)C(C)C ZINC000227731470 487504700 /nfs/dbraw/zinc/50/47/00/487504700.db2.gz FZWFNVUGOHWPIL-RYUDHWBXSA-N 1 3 200.370 2.336 10 0 BEAEHO C[C@H]1CC[N@H+](Cc2cccc3c2CCNC3)C1 ZINC000123915566 490269914 /nfs/dbraw/zinc/26/99/14/490269914.db2.gz GUIOVURNPKBSCV-LBPRGKRZSA-N 1 3 230.355 2.174 10 0 BEAEHO C[C@H]1CC[N@@H+](Cc2cccc3c2CCNC3)C1 ZINC000123915566 490269920 /nfs/dbraw/zinc/26/99/20/490269920.db2.gz GUIOVURNPKBSCV-LBPRGKRZSA-N 1 3 230.355 2.174 10 0 BEAEHO CCCC[N@@H+]1CCC[C@@]12CCCN[C@@H]2C ZINC000757125649 582499827 /nfs/dbraw/zinc/49/98/27/582499827.db2.gz FFKPRNAUGXVDOJ-CHWSQXEVSA-N 1 3 210.365 2.393 10 0 BEAEHO CCCC[N@H+]1CCC[C@@]12CCCN[C@@H]2C ZINC000757125649 582499828 /nfs/dbraw/zinc/49/98/28/582499828.db2.gz FFKPRNAUGXVDOJ-CHWSQXEVSA-N 1 3 210.365 2.393 10 0 BEAEHO CCCCN1CCC[C@@]12CCC[NH2+][C@@H]2C ZINC000757125649 582499829 /nfs/dbraw/zinc/49/98/29/582499829.db2.gz FFKPRNAUGXVDOJ-CHWSQXEVSA-N 1 3 210.365 2.393 10 0 BEAEHO C(CN1CCC[C@]12CCC[NH2+]C2)C1CCC1 ZINC000757128226 582503340 /nfs/dbraw/zinc/50/33/40/582503340.db2.gz JOBIFEYFMRYXCI-AWEZNQCLSA-N 1 3 222.376 2.395 10 0 BEAEHO C(C[N@@H+]1CCC[C@]12CCCNC2)C1CCC1 ZINC000757128226 582503341 /nfs/dbraw/zinc/50/33/41/582503341.db2.gz JOBIFEYFMRYXCI-AWEZNQCLSA-N 1 3 222.376 2.395 10 0 BEAEHO C(C[N@H+]1CCC[C@]12CCCNC2)C1CCC1 ZINC000757128226 582503343 /nfs/dbraw/zinc/50/33/43/582503343.db2.gz JOBIFEYFMRYXCI-AWEZNQCLSA-N 1 3 222.376 2.395 10 0 BEAEHO C[N@@H+]1CCC[C@@]2(CC1)N[C@@H](C(C)(C)C)CCO2 ZINC000757141663 582522205 /nfs/dbraw/zinc/52/22/05/582522205.db2.gz PQRGPTKUGIKWPX-TZMCWYRMSA-N 1 3 240.391 2.223 10 0 BEAEHO C[N@H+]1CCC[C@@]2(CC1)N[C@@H](C(C)(C)C)CCO2 ZINC000757141663 582522207 /nfs/dbraw/zinc/52/22/07/582522207.db2.gz PQRGPTKUGIKWPX-TZMCWYRMSA-N 1 3 240.391 2.223 10 0 BEAEHO CN1CCC[C@@]2(CC1)[NH2+][C@@H](C(C)(C)C)CCO2 ZINC000757141663 582522210 /nfs/dbraw/zinc/52/22/10/582522210.db2.gz PQRGPTKUGIKWPX-TZMCWYRMSA-N 1 3 240.391 2.223 10 0 BEAEHO C[C@H](N[C@@H](C)[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000400335421 533974746 /nfs/dbraw/zinc/97/47/46/533974746.db2.gz FFONLLMNIKRLNV-OBJOEFQTSA-N 1 3 218.344 2.335 10 0 BEAEHO CCc1cc(OC)ccc1CN1CC[C@@H](C[NH3+])C1 ZINC000261768411 536156081 /nfs/dbraw/zinc/15/60/81/536156081.db2.gz DLYQDRYBNAEEKS-LBPRGKRZSA-N 1 3 248.370 2.038 10 0 BEAEHO CCSCC[C@H](C)N[C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400432982 529195460 /nfs/dbraw/zinc/19/54/60/529195460.db2.gz LTCXFXHBGIPDEM-QJPTWQEYSA-N 1 3 230.421 2.106 10 0 BEAEHO CC[C@@H]1CCC[N@@H+]1C1[C@@H](C)CNC[C@@H]1C ZINC000685951934 566486805 /nfs/dbraw/zinc/48/68/05/566486805.db2.gz ZJBBRRYOAUXZNT-SDDRHHMPSA-N 1 3 210.365 2.105 10 0 BEAEHO CC[C@@H]1CCC[N@H+]1C1[C@@H](C)CNC[C@@H]1C ZINC000685951934 566486809 /nfs/dbraw/zinc/48/68/09/566486809.db2.gz ZJBBRRYOAUXZNT-SDDRHHMPSA-N 1 3 210.365 2.105 10 0 BEAEHO COCC[C@H](C)[N@@H+]1CCC[C@]12CCCN[C@H]2C ZINC000757124080 582499515 /nfs/dbraw/zinc/49/95/15/582499515.db2.gz BOEAKVHLOUNOML-IHRRRGAJSA-N 1 3 240.391 2.018 10 0 BEAEHO COCC[C@H](C)[N@H+]1CCC[C@]12CCCN[C@H]2C ZINC000757124080 582499517 /nfs/dbraw/zinc/49/95/17/582499517.db2.gz BOEAKVHLOUNOML-IHRRRGAJSA-N 1 3 240.391 2.018 10 0 BEAEHO COCC[C@H](C)N1CCC[C@]12CCC[NH2+][C@H]2C ZINC000757124080 582499519 /nfs/dbraw/zinc/49/95/19/582499519.db2.gz BOEAKVHLOUNOML-IHRRRGAJSA-N 1 3 240.391 2.018 10 0 BEAEHO C[C@H](C1CC1)[N@H+]1CCC[C@]12CCCNC2 ZINC000757128043 582502983 /nfs/dbraw/zinc/50/29/83/582502983.db2.gz IOIBDOYHUDMPHC-YPMHNXCESA-N 1 3 208.349 2.003 10 0 BEAEHO C[C@H](C1CC1)N1CCC[C@]12CCC[NH2+]C2 ZINC000757128043 582502984 /nfs/dbraw/zinc/50/29/84/582502984.db2.gz IOIBDOYHUDMPHC-YPMHNXCESA-N 1 3 208.349 2.003 10 0 BEAEHO C[C@H](C1CC1)[N@@H+]1CCC[C@]12CCCNC2 ZINC000757128043 582502982 /nfs/dbraw/zinc/50/29/82/582502982.db2.gz IOIBDOYHUDMPHC-YPMHNXCESA-N 1 3 208.349 2.003 10 0 BEAEHO CC(C)CC[N@@H+]1CCC[C@@]12CNC[C@@H](C)C2 ZINC000757127977 582503544 /nfs/dbraw/zinc/50/35/44/582503544.db2.gz IKGITYXQIRLARY-UONOGXRCSA-N 1 3 224.392 2.497 10 0 BEAEHO CC(C)CC[N@H+]1CCC[C@@]12CNC[C@@H](C)C2 ZINC000757127977 582503546 /nfs/dbraw/zinc/50/35/46/582503546.db2.gz IKGITYXQIRLARY-UONOGXRCSA-N 1 3 224.392 2.497 10 0 BEAEHO CC(C)CCN1CCC[C@@]12C[NH2+]C[C@@H](C)C2 ZINC000757127977 582503548 /nfs/dbraw/zinc/50/35/48/582503548.db2.gz IKGITYXQIRLARY-UONOGXRCSA-N 1 3 224.392 2.497 10 0 BEAEHO [NH3+]C[C@@H]1CCCN[C@@H]1c1cccc2cc[nH]c21 ZINC000757219506 582563507 /nfs/dbraw/zinc/56/35/07/582563507.db2.gz XFTVCJFRIOVICJ-FZMZJTMJSA-N 1 3 229.327 2.167 10 0 BEAEHO C[C@@H]1CC[C@]2(CCCN2CCC2CC2)C[NH2+]1 ZINC000757129694 586426448 /nfs/dbraw/zinc/42/64/48/586426448.db2.gz MSXUDPRIDMHTGJ-TZMCWYRMSA-N 1 3 222.376 2.393 10 0 BEAEHO C[C@@H]1CC[C@]2(CCC[N@@H+]2CCC2CC2)CN1 ZINC000757129694 586426450 /nfs/dbraw/zinc/42/64/50/586426450.db2.gz MSXUDPRIDMHTGJ-TZMCWYRMSA-N 1 3 222.376 2.393 10 0 BEAEHO C[C@@H]1CC[C@]2(CCC[N@H+]2CCC2CC2)CN1 ZINC000757129694 586426453 /nfs/dbraw/zinc/42/64/53/586426453.db2.gz MSXUDPRIDMHTGJ-TZMCWYRMSA-N 1 3 222.376 2.393 10 0 BEAEHO CC1(c2ccc([C@H]3CNC[C@H]([NH3+])C3)cc2)CC1 ZINC000757219361 586442340 /nfs/dbraw/zinc/44/23/40/586442340.db2.gz WXHSQQWXRJKALL-TZMCWYRMSA-N 1 3 230.355 2.142 10 0 BEAEHO [NH3+]C[C@H]1CC[C@H](c2cccc3cc[nH]c32)NC1 ZINC000757220406 586442417 /nfs/dbraw/zinc/44/24/17/586442417.db2.gz YYVNISUQRPKWES-ZWNOBZJWSA-N 1 3 229.327 2.167 10 0 BEAEHO [NH3+]C[C@@H]1CNC[C@H](c2cscc2C(F)F)C1 ZINC000757237014 586443603 /nfs/dbraw/zinc/44/36/03/586443603.db2.gz PCLCTBSNIHTMNJ-HTQZYQBOSA-N 1 3 246.326 2.338 10 0 BEAEHO NC[C@@H]1C[NH2+]C[C@H](c2cscc2C(F)F)C1 ZINC000757237014 586443605 /nfs/dbraw/zinc/44/36/05/586443605.db2.gz PCLCTBSNIHTMNJ-HTQZYQBOSA-N 1 3 246.326 2.338 10 0 BEAEHO CCCN1CC[C@@H](C[NH2+][C@@H]2CCCSC2)C1 ZINC000128247585 590950484 /nfs/dbraw/zinc/95/04/84/590950484.db2.gz BBEPVTJNTYGMKM-QWHCGFSZSA-N 1 3 242.432 2.204 10 0 BEAEHO c1ccc(CCN[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000217651138 592148282 /nfs/dbraw/zinc/14/82/82/592148282.db2.gz QBSGTAUPVKFANE-HOTGVXAUSA-N 1 3 244.382 2.446 10 0 BEAEHO c1ccc(CCN[C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000217651138 592148284 /nfs/dbraw/zinc/14/82/84/592148284.db2.gz QBSGTAUPVKFANE-HOTGVXAUSA-N 1 3 244.382 2.446 10 0 BEAEHO [NH3+]CC[C@@H]1CCN(c2ccnc3ccccc32)C1 ZINC000125501245 634520070 /nfs/dbraw/zinc/52/00/70/634520070.db2.gz GVPSWGQXNRRVAO-GFCCVEGCSA-N 1 3 241.338 2.410 10 0 BEAEHO C[C@@H](C[NH2+][C@H]1CCCSC1)CN1CCCC1 ZINC000062079013 631647005 /nfs/dbraw/zinc/64/70/05/631647005.db2.gz JRWFQDPMHWKQJJ-STQMWFEESA-N 1 3 242.432 2.204 10 0 BEAEHO CC(C)C[N@H+](CCCNC1CC1)C(C)C ZINC000042590311 641556396 /nfs/dbraw/zinc/55/63/96/641556396.db2.gz ZWQNVUPUKWWWRR-UHFFFAOYSA-N 1 3 212.381 2.495 10 0 BEAEHO CC(C)C[N@@H+](CCCNC1CC1)C(C)C ZINC000042590311 641556398 /nfs/dbraw/zinc/55/63/98/641556398.db2.gz ZWQNVUPUKWWWRR-UHFFFAOYSA-N 1 3 212.381 2.495 10 0 BEAEHO CC[C@H](C)[N@@H+]1CCC[C@@]12CNC[C@H](C)C2 ZINC000757132744 643259160 /nfs/dbraw/zinc/25/91/60/643259160.db2.gz RRODXZYTRSHGBL-FRRDWIJNSA-N 1 3 210.365 2.249 10 0 BEAEHO CC[C@H](C)[N@H+]1CCC[C@@]12CNC[C@H](C)C2 ZINC000757132744 643259161 /nfs/dbraw/zinc/25/91/61/643259161.db2.gz RRODXZYTRSHGBL-FRRDWIJNSA-N 1 3 210.365 2.249 10 0 BEAEHO CC[C@H](C)N1CCC[C@@]12C[NH2+]C[C@H](C)C2 ZINC000757132744 643259167 /nfs/dbraw/zinc/25/91/67/643259167.db2.gz RRODXZYTRSHGBL-FRRDWIJNSA-N 1 3 210.365 2.249 10 0 BEAEHO C[C@@H](C1CCC1)N1CCC[C@]12CC[NH2+]C2 ZINC000757135976 643276217 /nfs/dbraw/zinc/27/62/17/643276217.db2.gz XACUXOUIISFKRV-WCQYABFASA-N 1 3 208.349 2.003 10 0 BEAEHO C[C@@H]1CNC[C@H](C)[C@H]1[NH+]1[C@H](C)CCC[C@H]1C ZINC000685951909 644518606 /nfs/dbraw/zinc/51/86/06/644518606.db2.gz ZAVXHTSGWWHUDN-ITGHMWBKSA-N 1 3 224.392 2.493 10 0 BEAEHO CC(C)N(CC1CC1)C[C@]1(C)CC[NH2+]C1 ZINC000062911953 349495981 /nfs/dbraw/zinc/49/59/81/349495981.db2.gz VOSYLBGQTHDAQA-CYBMUJFWSA-N 1 3 210.365 2.106 10 0 BEAEHO CN(CCC[NH3+])C[C@@H]1CCCCC1(F)F ZINC000381689379 398254874 /nfs/dbraw/zinc/25/48/74/398254874.db2.gz NHWLWOLIZPDACR-JTQLQIEISA-N 1 3 220.307 2.093 10 0 BEAEHO C[NH2+]C[C@@H]1CCN(C[C@H]2CCCCC2(F)F)C1 ZINC000381596802 398265858 /nfs/dbraw/zinc/26/58/58/398265858.db2.gz FPLNFIPFJYBLPA-NWDGAFQWSA-N 1 3 246.345 2.353 10 0 BEAEHO C[C@@]1(CN)CC[N@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000381690695 398269673 /nfs/dbraw/zinc/26/96/73/398269673.db2.gz NKWPOQMYGBDPDQ-RYUDHWBXSA-N 1 3 246.345 2.483 10 0 BEAEHO C[C@@]1(CN)CC[N@@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000381690695 398269677 /nfs/dbraw/zinc/26/96/77/398269677.db2.gz NKWPOQMYGBDPDQ-RYUDHWBXSA-N 1 3 246.345 2.483 10 0 BEAEHO CCC(CC)[N@H+](CCOC)[C@@H]1CCC[C@@H]1CN ZINC000042614301 168376542 /nfs/dbraw/zinc/37/65/42/168376542.db2.gz SWVKIXRJQYQQKB-TZMCWYRMSA-N 1 3 242.407 2.251 10 0 BEAEHO CCC(CC)[N@@H+](CCOC)[C@@H]1CCC[C@@H]1CN ZINC000042614301 168376544 /nfs/dbraw/zinc/37/65/44/168376544.db2.gz SWVKIXRJQYQQKB-TZMCWYRMSA-N 1 3 242.407 2.251 10 0 BEAEHO CC(C)CCN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000038000168 398335705 /nfs/dbraw/zinc/33/57/05/398335705.db2.gz CHFWAZGVJCVBOG-KBPBESRZSA-N 1 3 224.392 2.497 10 0 BEAEHO C[C@@H]1[C@@H]2C[N@H+](C)C[C@@H]2CN1Cc1ccccc1 ZINC000409431598 343824051 /nfs/dbraw/zinc/82/40/51/343824051.db2.gz RJPWPILRMFONAL-YUELXQCFSA-N 1 3 230.355 2.069 10 0 BEAEHO C[C@@H]1[C@@H]2C[N@@H+](C)C[C@@H]2CN1Cc1ccccc1 ZINC000409431598 343824054 /nfs/dbraw/zinc/82/40/54/343824054.db2.gz RJPWPILRMFONAL-YUELXQCFSA-N 1 3 230.355 2.069 10 0 BEAEHO CC1(C)CC[N@H+](Cc2ccccc2)C[C@H]1N ZINC000084231950 344189591 /nfs/dbraw/zinc/18/95/91/344189591.db2.gz PJHDTNJPMKQDGF-CYBMUJFWSA-N 1 3 218.344 2.246 10 0 BEAEHO CC1(C)CC[N@@H+](Cc2ccccc2)C[C@H]1N ZINC000084231950 344189593 /nfs/dbraw/zinc/18/95/93/344189593.db2.gz PJHDTNJPMKQDGF-CYBMUJFWSA-N 1 3 218.344 2.246 10 0 BEAEHO CCSCC[C@H](C)[NH2+][C@@H]1CCCNCC1 ZINC000133778454 344321905 /nfs/dbraw/zinc/32/19/05/344321905.db2.gz QOFXLVKKIMIDSI-NWDGAFQWSA-N 1 3 230.421 2.250 10 0 BEAEHO CCSCC[C@@H](C)[NH2+][C@H]1CCCNCC1 ZINC000133778679 344322083 /nfs/dbraw/zinc/32/20/83/344322083.db2.gz QOFXLVKKIMIDSI-NEPJUHHUSA-N 1 3 230.421 2.250 10 0 BEAEHO N[C@]12C[N@H+](Cc3ccccc3)C[C@@H]1CCCC2 ZINC000307124522 344984008 /nfs/dbraw/zinc/98/40/08/344984008.db2.gz YSRKXDRZBDXBAH-LSDHHAIUSA-N 1 3 230.355 2.390 10 0 BEAEHO N[C@]12C[N@@H+](Cc3ccccc3)C[C@@H]1CCCC2 ZINC000307124522 344984009 /nfs/dbraw/zinc/98/40/09/344984009.db2.gz YSRKXDRZBDXBAH-LSDHHAIUSA-N 1 3 230.355 2.390 10 0 BEAEHO C[C@H]1CN(Cc2coc3ccccc23)C[C@@H]1C[NH3+] ZINC000634998092 345197350 /nfs/dbraw/zinc/19/73/50/345197350.db2.gz ANHCOFUNYRDIIL-RYUDHWBXSA-N 1 3 244.338 2.459 10 0 BEAEHO Cc1cccc(C[N@H+]2C[C@H](C)[C@@H](CN)C2)c1C ZINC000634999872 345201162 /nfs/dbraw/zinc/20/11/62/345201162.db2.gz BKPQJXSXFCFNIB-WFASDCNBSA-N 1 3 232.371 2.330 10 0 BEAEHO Cc1cccc(C[N@@H+]2C[C@H](C)[C@@H](CN)C2)c1C ZINC000634999872 345201163 /nfs/dbraw/zinc/20/11/63/345201163.db2.gz BKPQJXSXFCFNIB-WFASDCNBSA-N 1 3 232.371 2.330 10 0 BEAEHO Cc1cccc(C[N@H+]2C[C@@H](C)[C@@H](CN)C2)c1C ZINC000634999869 345201345 /nfs/dbraw/zinc/20/13/45/345201345.db2.gz BKPQJXSXFCFNIB-DOMZBBRYSA-N 1 3 232.371 2.330 10 0 BEAEHO Cc1cccc(C[N@@H+]2C[C@@H](C)[C@@H](CN)C2)c1C ZINC000634999869 345201346 /nfs/dbraw/zinc/20/13/46/345201346.db2.gz BKPQJXSXFCFNIB-DOMZBBRYSA-N 1 3 232.371 2.330 10 0 BEAEHO C[C@H]([NH2+][C@H]1CCCC12CC2)[C@@H]1CCCNC1 ZINC000634998034 345202836 /nfs/dbraw/zinc/20/28/36/345202836.db2.gz ZHZYUFMZEFIQQX-XQQFMLRXSA-N 1 3 222.376 2.297 10 0 BEAEHO C[C@@H](N[C@H]1CC[C@H]([NH3+])CC1)c1nccs1 ZINC000257351100 345773916 /nfs/dbraw/zinc/77/39/16/345773916.db2.gz CCEBVNAQRAWHIX-OPRDCNLKSA-N 1 3 225.361 2.064 10 0 BEAEHO Cc1cccc(C[N@@H+]2CCCN[C@@H](C)C2)c1 ZINC000062609099 179074000 /nfs/dbraw/zinc/07/40/00/179074000.db2.gz DEYSSRPXHOJXDJ-ZDUSSCGKSA-N 1 3 218.344 2.179 10 0 BEAEHO Cc1cccc(C[N@H+]2CCCN[C@@H](C)C2)c1 ZINC000062609099 179074003 /nfs/dbraw/zinc/07/40/03/179074003.db2.gz DEYSSRPXHOJXDJ-ZDUSSCGKSA-N 1 3 218.344 2.179 10 0 BEAEHO Cc1ccccc1C[NH2+]C[C@@H]1CCN(C)C1 ZINC000037484585 179281831 /nfs/dbraw/zinc/28/18/31/179281831.db2.gz IXMGXTWWTYCGOK-ZDUSSCGKSA-N 1 3 218.344 2.036 10 0 BEAEHO Cc1ccccc1CNC[C@@H]1CC[N@@H+](C)C1 ZINC000037484585 179281836 /nfs/dbraw/zinc/28/18/36/179281836.db2.gz IXMGXTWWTYCGOK-ZDUSSCGKSA-N 1 3 218.344 2.036 10 0 BEAEHO Cc1ccccc1CNC[C@@H]1CC[N@H+](C)C1 ZINC000037484585 179281840 /nfs/dbraw/zinc/28/18/40/179281840.db2.gz IXMGXTWWTYCGOK-ZDUSSCGKSA-N 1 3 218.344 2.036 10 0 BEAEHO Cc1ccccc1[C@@H](N)CC[NH+]1CCCC1 ZINC000054015482 179324426 /nfs/dbraw/zinc/32/44/26/179324426.db2.gz FZOSWAIUZUOZNA-AWEZNQCLSA-N 1 3 218.344 2.481 10 0 BEAEHO Cc1ccccc1[C@@H]([NH3+])CCN1CCCC1 ZINC000054015482 179324428 /nfs/dbraw/zinc/32/44/28/179324428.db2.gz FZOSWAIUZUOZNA-AWEZNQCLSA-N 1 3 218.344 2.481 10 0 BEAEHO CCSC1(C[NH2+][C@@H](C)[C@H]2CCCNC2)CC1 ZINC000596653574 348606977 /nfs/dbraw/zinc/60/69/77/348606977.db2.gz VOSXRSJQASIYTD-RYUDHWBXSA-N 1 3 242.432 2.250 10 0 BEAEHO CC[C@@H]1CCCN(C[C@]2(C)CC[NH2+]C2)C1 ZINC000062911257 350563120 /nfs/dbraw/zinc/56/31/20/350563120.db2.gz JQYHFVFSXOIBRJ-CHWSQXEVSA-N 1 3 210.365 2.108 10 0 BEAEHO CN(C)[C@@H]1CCCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000606304071 351560057 /nfs/dbraw/zinc/56/00/57/351560057.db2.gz NGMVPAQWEPDLCT-JHJVBQTASA-N 1 3 210.365 2.249 10 0 BEAEHO CN(C)[C@@H]1CCCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000606304070 351560129 /nfs/dbraw/zinc/56/01/29/351560129.db2.gz NGMVPAQWEPDLCT-FRRDWIJNSA-N 1 3 210.365 2.249 10 0 BEAEHO C[C@@H]1C[NH2+]CC[C@H]1N(C)Cc1ccccc1 ZINC000307384500 352511929 /nfs/dbraw/zinc/51/19/29/352511929.db2.gz ITVSTUGUEOABOT-TZMCWYRMSA-N 1 3 218.344 2.116 10 0 BEAEHO C[C@@H]1CNCC[C@H]1[N@H+](C)Cc1ccccc1 ZINC000307384500 352511932 /nfs/dbraw/zinc/51/19/32/352511932.db2.gz ITVSTUGUEOABOT-TZMCWYRMSA-N 1 3 218.344 2.116 10 0 BEAEHO C[C@@H]1CNCC[C@H]1[N@@H+](C)Cc1ccccc1 ZINC000307384500 352511935 /nfs/dbraw/zinc/51/19/35/352511935.db2.gz ITVSTUGUEOABOT-TZMCWYRMSA-N 1 3 218.344 2.116 10 0 BEAEHO CC[C@H](CC[NH3+])N1CCC[C@@H]1c1cccnc1 ZINC000036128516 188112721 /nfs/dbraw/zinc/11/27/21/188112721.db2.gz YXJCYPRWGDVFRQ-ZIAGYGMSSA-N 1 3 233.359 2.346 10 0 BEAEHO CC(C)N(C)CC[C@H]([NH3+])c1ccccc1 ZINC000020073245 188175342 /nfs/dbraw/zinc/17/53/42/188175342.db2.gz VBBDPXPUDTVQKQ-ZDUSSCGKSA-N 1 3 206.333 2.417 10 0 BEAEHO CCOc1ccc([C@H](C)NCCC[NH3+])cc1 ZINC000037713277 358476685 /nfs/dbraw/zinc/47/66/85/358476685.db2.gz ACGYDNOMESKALD-NSHDSACASA-N 1 3 222.332 2.085 10 0 BEAEHO CC(C)[C@H](C)C[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000577946805 366124168 /nfs/dbraw/zinc/12/41/68/366124168.db2.gz SZKYAEAMMQCVBG-UPJWGTAASA-N 1 3 212.381 2.256 10 0 BEAEHO NC(=[NH2+])c1ccc(CN2CCCCCC2)c(F)c1 ZINC000019518930 181193877 /nfs/dbraw/zinc/19/38/77/181193877.db2.gz LKRVWHMSUOVDKA-UHFFFAOYSA-N 1 3 249.333 2.486 10 0 BEAEHO [NH2+]=C(c1ccccc1)N1CC[C@@H](N2CCCC2)C1 ZINC000062994112 181206937 /nfs/dbraw/zinc/20/69/37/181206937.db2.gz DRBYPAWQFIAYAL-CQSZACIVSA-N 1 3 243.354 2.182 10 0 BEAEHO CCC[NH+](CCC)C1[C@@H](C)CNC[C@@H]1C ZINC000685951745 538895347 /nfs/dbraw/zinc/89/53/47/538895347.db2.gz XDLYRNYKXPXRDD-RYUDHWBXSA-N 1 3 212.381 2.352 10 0 BEAEHO C[C@H]1CNC[C@H](C)C1[N@@H+]1CCC2(CCC2)C1 ZINC000685951657 538895397 /nfs/dbraw/zinc/89/53/97/538895397.db2.gz VHIJIINIUUZUBS-RYUDHWBXSA-N 1 3 222.376 2.106 10 0 BEAEHO C[C@H]1CNC[C@H](C)C1[N@H+]1CCC2(CCC2)C1 ZINC000685951657 538895399 /nfs/dbraw/zinc/89/53/99/538895399.db2.gz VHIJIINIUUZUBS-RYUDHWBXSA-N 1 3 222.376 2.106 10 0 BEAEHO COC[C@H](C)CN(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000133060758 325263914 /nfs/dbraw/zinc/26/39/14/325263914.db2.gz YWCIIBJJNZHWAI-KGLIPLIRSA-N 1 3 242.407 2.075 10 0 BEAEHO COC[C@H](C)CN(C)CC[C@@H]1CCCC[N@H+]1C ZINC000133060758 325263918 /nfs/dbraw/zinc/26/39/18/325263918.db2.gz YWCIIBJJNZHWAI-KGLIPLIRSA-N 1 3 242.407 2.075 10 0 BEAEHO CC[C@@H]1CC[C@H](CC[N@H+](C)CC)N(C)C1 ZINC000584627570 358297460 /nfs/dbraw/zinc/29/74/60/358297460.db2.gz XWUGWNNMONIIBW-CHWSQXEVSA-N 1 3 212.381 2.449 10 0 BEAEHO CC[C@@H]1CC[C@H](CC[N@@H+](C)CC)N(C)C1 ZINC000584627570 358297461 /nfs/dbraw/zinc/29/74/61/358297461.db2.gz XWUGWNNMONIIBW-CHWSQXEVSA-N 1 3 212.381 2.449 10 0 BEAEHO CC(C)C[C@H](CO)[NH2+][C@H]1C[C@H](N)c2ccccc21 ZINC000132041546 358705869 /nfs/dbraw/zinc/70/58/69/358705869.db2.gz FJYHVTRNMJTIEA-UGFHNGPFSA-N 1 3 248.370 2.128 10 0 BEAEHO CC(C)(C)CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000093604584 360263277 /nfs/dbraw/zinc/26/32/77/360263277.db2.gz DONPZKFWCABRAB-CYBMUJFWSA-N 1 3 224.392 2.450 10 0 BEAEHO CC(C)(C)C[N@@H+]1CC[C@H](CN2CCCC2)C1 ZINC000093604584 360263280 /nfs/dbraw/zinc/26/32/80/360263280.db2.gz DONPZKFWCABRAB-CYBMUJFWSA-N 1 3 224.392 2.450 10 0 BEAEHO CC(C)(C)C[N@H+]1CC[C@H](CN2CCCC2)C1 ZINC000093604584 360263282 /nfs/dbraw/zinc/26/32/82/360263282.db2.gz DONPZKFWCABRAB-CYBMUJFWSA-N 1 3 224.392 2.450 10 0 BEAEHO Cc1ccsc1[C@@H]1[C@@H](C[NH3+])CCN1C ZINC000069796099 360556966 /nfs/dbraw/zinc/55/69/66/360556966.db2.gz TYFSIFPOEJGSAA-ZJUUUORDSA-N 1 3 210.346 2.008 10 0 BEAEHO Cc1ccsc1[C@@H]1[C@H](C[NH3+])CCN1C ZINC000069796095 360557169 /nfs/dbraw/zinc/55/71/69/360557169.db2.gz TYFSIFPOEJGSAA-UWVGGRQHSA-N 1 3 210.346 2.008 10 0 BEAEHO CCC[C@H](CN[C@@H](C)[C@H]1CCC[NH2+]C1)OCC ZINC000629515048 361112409 /nfs/dbraw/zinc/11/24/09/361112409.db2.gz PUXIVXGGIWHSRQ-MELADBBJSA-N 1 3 242.407 2.169 10 0 BEAEHO CO[C@@H]1CN(CC2CCCCC2)[C@@](C)(C[NH3+])C1 ZINC000630362196 364081905 /nfs/dbraw/zinc/08/19/05/364081905.db2.gz OILDAAOGDVYHMR-UONOGXRCSA-N 1 3 240.391 2.005 10 0 BEAEHO C[C@@H]1CN(c2ccnc3ccccc32)C[C@H]1C[NH3+] ZINC000630569901 364264697 /nfs/dbraw/zinc/26/46/97/364264697.db2.gz KHRGEUAJCSIVIG-VXGBXAGGSA-N 1 3 241.338 2.266 10 0 BEAEHO C[N@H+](CCCNC1CC1)C1CCCCC1 ZINC000037478503 541376900 /nfs/dbraw/zinc/37/69/00/541376900.db2.gz LVPGZRBGUKUDEO-UHFFFAOYSA-N 1 3 210.365 2.393 10 0 BEAEHO C[N@@H+](CCCNC1CC1)C1CCCCC1 ZINC000037478503 541376901 /nfs/dbraw/zinc/37/69/01/541376901.db2.gz LVPGZRBGUKUDEO-UHFFFAOYSA-N 1 3 210.365 2.393 10 0 BEAEHO [NH3+]CCCN[C@H]1CCCc2ccccc21 ZINC000037713432 181383803 /nfs/dbraw/zinc/38/38/03/181383803.db2.gz YINKCIYYJCUMQI-ZDUSSCGKSA-N 1 3 204.317 2.002 10 0 BEAEHO C[C@@H]1C[C@@H]([N@H+]2[C@H](C)CCC[C@@H]2C)CCN1 ZINC000675056248 541462501 /nfs/dbraw/zinc/46/25/01/541462501.db2.gz NBIOJMORQJJEIV-NDBYEHHHSA-N 1 3 210.365 2.390 10 0 BEAEHO C[C@@H]1C[C@@H]([N@@H+]2[C@H](C)CCC[C@@H]2C)CCN1 ZINC000675056248 541462507 /nfs/dbraw/zinc/46/25/07/541462507.db2.gz NBIOJMORQJJEIV-NDBYEHHHSA-N 1 3 210.365 2.390 10 0 BEAEHO C[C@H]1C[N@H+](CCCC2CCC2)C[C@H]1CN ZINC000631836730 369088977 /nfs/dbraw/zinc/08/89/77/369088977.db2.gz FZKXJWXTONATET-WCQYABFASA-N 1 3 210.365 2.093 10 0 BEAEHO C[C@H]1C[N@@H+](CCCC2CCC2)C[C@H]1CN ZINC000631836730 369088981 /nfs/dbraw/zinc/08/89/81/369088981.db2.gz FZKXJWXTONATET-WCQYABFASA-N 1 3 210.365 2.093 10 0 BEAEHO C[C@@H]1C[N@H+](C[C@@H]2CCCC[C@@H]2C)C[C@@H]1CN ZINC000631837314 369096143 /nfs/dbraw/zinc/09/61/43/369096143.db2.gz QSJAIXGKHHEXPK-CRWXNKLISA-N 1 3 224.392 2.339 10 0 BEAEHO C[C@@H]1C[N@@H+](C[C@@H]2CCCC[C@@H]2C)C[C@@H]1CN ZINC000631837314 369096147 /nfs/dbraw/zinc/09/61/47/369096147.db2.gz QSJAIXGKHHEXPK-CRWXNKLISA-N 1 3 224.392 2.339 10 0 BEAEHO Cc1ccc(C[N@H+]2C[C@@H](C)[C@@H](CN)C2)c(C)c1 ZINC000631837282 369096774 /nfs/dbraw/zinc/09/67/74/369096774.db2.gz QPGYCBVYQTXIHP-HIFRSBDPSA-N 1 3 232.371 2.330 10 0 BEAEHO Cc1ccc(C[N@@H+]2C[C@@H](C)[C@@H](CN)C2)c(C)c1 ZINC000631837282 369096785 /nfs/dbraw/zinc/09/67/85/369096785.db2.gz QPGYCBVYQTXIHP-HIFRSBDPSA-N 1 3 232.371 2.330 10 0 BEAEHO Cc1ccc(CN2C[C@@H](C)[C@@H](C[NH3+])C2)c(C)c1 ZINC000631837282 369096789 /nfs/dbraw/zinc/09/67/89/369096789.db2.gz QPGYCBVYQTXIHP-HIFRSBDPSA-N 1 3 232.371 2.330 10 0 BEAEHO C[C@@H]1C[N@H+](C[C@@H]2CCCCC2(F)F)C[C@@H]1CN ZINC000631837821 369104138 /nfs/dbraw/zinc/10/41/38/369104138.db2.gz XLUNVEKWODRWFX-WOPDTQHZSA-N 1 3 246.345 2.339 10 0 BEAEHO C[C@@H]1C[N@@H+](C[C@@H]2CCCCC2(F)F)C[C@@H]1CN ZINC000631837821 369104140 /nfs/dbraw/zinc/10/41/40/369104140.db2.gz XLUNVEKWODRWFX-WOPDTQHZSA-N 1 3 246.345 2.339 10 0 BEAEHO CCC(C)(C)CC[N@@H+]1C[C@H](C)[C@H](CN)C1 ZINC000631837982 372630208 /nfs/dbraw/zinc/63/02/08/372630208.db2.gz YLUVTZHTSBIQDK-NWDGAFQWSA-N 1 3 212.381 2.339 10 0 BEAEHO CCC(C)(C)CC[N@H+]1C[C@H](C)[C@H](CN)C1 ZINC000631837982 372630210 /nfs/dbraw/zinc/63/02/10/372630210.db2.gz YLUVTZHTSBIQDK-NWDGAFQWSA-N 1 3 212.381 2.339 10 0 BEAEHO CCc1ccccc1C[N@@H+]1C[C@@H](C)[C@@H](CN)C1 ZINC000631839059 372633177 /nfs/dbraw/zinc/63/31/77/372633177.db2.gz ZJCXDUNNDPNVOU-DOMZBBRYSA-N 1 3 232.371 2.276 10 0 BEAEHO CCc1ccccc1C[N@H+]1C[C@@H](C)[C@@H](CN)C1 ZINC000631839059 372633181 /nfs/dbraw/zinc/63/31/81/372633181.db2.gz ZJCXDUNNDPNVOU-DOMZBBRYSA-N 1 3 232.371 2.276 10 0 BEAEHO CCc1ccccc1CN1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631839059 372633186 /nfs/dbraw/zinc/63/31/86/372633186.db2.gz ZJCXDUNNDPNVOU-DOMZBBRYSA-N 1 3 232.371 2.276 10 0 BEAEHO CC(C)C[C@H](C)C[N@@H+]1C[C@H](C)[C@@H](CN)C1 ZINC000631838930 372634335 /nfs/dbraw/zinc/63/43/35/372634335.db2.gz XFNPIURGBFOAOT-AVGNSLFASA-N 1 3 212.381 2.195 10 0 BEAEHO CC(C)C[C@H](C)C[N@H+]1C[C@H](C)[C@@H](CN)C1 ZINC000631838930 372634338 /nfs/dbraw/zinc/63/43/38/372634338.db2.gz XFNPIURGBFOAOT-AVGNSLFASA-N 1 3 212.381 2.195 10 0 BEAEHO Cc1ccc(C)c(C[N@H+]2C[C@@H](C)[C@@H](CN)C2)c1 ZINC000631842735 372641466 /nfs/dbraw/zinc/64/14/66/372641466.db2.gz FBSGSNLGATZWEH-HIFRSBDPSA-N 1 3 232.371 2.330 10 0 BEAEHO Cc1ccc(C)c(C[N@@H+]2C[C@@H](C)[C@@H](CN)C2)c1 ZINC000631842735 372641470 /nfs/dbraw/zinc/64/14/70/372641470.db2.gz FBSGSNLGATZWEH-HIFRSBDPSA-N 1 3 232.371 2.330 10 0 BEAEHO Cc1ccc(C)c(C[N@H+]2C[C@H](C)[C@@H](CN)C2)c1 ZINC000631842737 372641566 /nfs/dbraw/zinc/64/15/66/372641566.db2.gz FBSGSNLGATZWEH-ZFWWWQNUSA-N 1 3 232.371 2.330 10 0 BEAEHO Cc1ccc(C)c(C[N@@H+]2C[C@H](C)[C@@H](CN)C2)c1 ZINC000631842737 372641567 /nfs/dbraw/zinc/64/15/67/372641567.db2.gz FBSGSNLGATZWEH-ZFWWWQNUSA-N 1 3 232.371 2.330 10 0 BEAEHO Cc1ccc(CN2C[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000631843890 372641647 /nfs/dbraw/zinc/64/16/47/372641647.db2.gz SYWXCOLVSSPUKJ-OCCSQVGLSA-N 1 3 218.344 2.022 10 0 BEAEHO Cc1ccc(C[N@H+]2C[C@@H](C)[C@@H](CN)C2)cc1 ZINC000631843890 372641649 /nfs/dbraw/zinc/64/16/49/372641649.db2.gz SYWXCOLVSSPUKJ-OCCSQVGLSA-N 1 3 218.344 2.022 10 0 BEAEHO Cc1ccc(C[N@@H+]2C[C@@H](C)[C@@H](CN)C2)cc1 ZINC000631843890 372641654 /nfs/dbraw/zinc/64/16/54/372641654.db2.gz SYWXCOLVSSPUKJ-OCCSQVGLSA-N 1 3 218.344 2.022 10 0 BEAEHO CCCN(C)CC(C)C[N@H+](C)CCC ZINC000124146362 169076411 /nfs/dbraw/zinc/07/64/11/169076411.db2.gz PWLBAENOSFZKPT-UHFFFAOYSA-N 1 3 200.370 2.306 10 0 BEAEHO CCCN(C)CC(C)C[N@@H+](C)CCC ZINC000124146362 169076413 /nfs/dbraw/zinc/07/64/13/169076413.db2.gz PWLBAENOSFZKPT-UHFFFAOYSA-N 1 3 200.370 2.306 10 0 BEAEHO CCCN(CCC)CC[NH2+]CCN(CC)CC ZINC000053344898 169147160 /nfs/dbraw/zinc/14/71/60/169147160.db2.gz IVDQUOICJWEPIY-UHFFFAOYSA-N 1 3 243.439 2.040 10 0 BEAEHO CCCN(CCO)C[C@@](C)(CC)C[NH2+]C(C)C ZINC000051252811 169165633 /nfs/dbraw/zinc/16/56/33/169165633.db2.gz NRXOLQQEJJSSRR-AWEZNQCLSA-N 1 3 244.423 2.105 10 0 BEAEHO CCC[N@@H+]1CCCC[C@@H]1[C@@H]1CCCNC1 ZINC000068590731 169191699 /nfs/dbraw/zinc/19/16/99/169191699.db2.gz VQBZYKSDBIFFKV-CHWSQXEVSA-N 1 3 210.365 2.251 10 0 BEAEHO CCC[N@H+]1CCCC[C@@H]1[C@@H]1CCCNC1 ZINC000068590731 169191700 /nfs/dbraw/zinc/19/17/00/169191700.db2.gz VQBZYKSDBIFFKV-CHWSQXEVSA-N 1 3 210.365 2.251 10 0 BEAEHO c1cc(C[NH+]2CCCC2)oc1CNC1CC1 ZINC000045205593 183340143 /nfs/dbraw/zinc/34/01/43/183340143.db2.gz CXQDIPYUKHBFNB-UHFFFAOYSA-N 1 3 220.316 2.127 10 0 BEAEHO CCCO[C@@H]1CCC[N@@H+]([C@@H]2CCC[C@@H]2CN)C1 ZINC000042420633 169311787 /nfs/dbraw/zinc/31/17/87/169311787.db2.gz GBVVFMRPWMGPGV-MGPQQGTHSA-N 1 3 240.391 2.005 10 0 BEAEHO CCCO[C@@H]1CCC[N@H+]([C@@H]2CCC[C@@H]2CN)C1 ZINC000042420633 169311789 /nfs/dbraw/zinc/31/17/89/169311789.db2.gz GBVVFMRPWMGPGV-MGPQQGTHSA-N 1 3 240.391 2.005 10 0 BEAEHO CCCO[C@@H]1CCCN([C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000042420633 169311790 /nfs/dbraw/zinc/31/17/90/169311790.db2.gz GBVVFMRPWMGPGV-MGPQQGTHSA-N 1 3 240.391 2.005 10 0 BEAEHO CCCO[C@H]1CCCN(C(CC)(CC)C[NH3+])C1 ZINC000042421329 169312030 /nfs/dbraw/zinc/31/20/30/169312030.db2.gz NOCCAVWTSVGKHS-ZDUSSCGKSA-N 1 3 242.407 2.395 10 0 BEAEHO c1ccc2c(c1)nccc2NC1CC[NH2+]CC1 ZINC000041721380 183439379 /nfs/dbraw/zinc/43/93/79/183439379.db2.gz KUTVBITUABDOKB-UHFFFAOYSA-N 1 3 227.311 2.399 10 0 BEAEHO CCC[C@@H]([NH3+])[C@@H](CC)N(CCOC)CC(C)C ZINC000042368897 169392558 /nfs/dbraw/zinc/39/25/58/169392558.db2.gz FAGIMHAMVNFBOD-ZIAGYGMSSA-N 1 3 244.423 2.497 10 0 BEAEHO CCC[C@@H](NCCC[NH3+])c1ccccc1 ZINC000037713429 169399273 /nfs/dbraw/zinc/39/92/73/169399273.db2.gz QGCDOKFQVDKOGJ-CYBMUJFWSA-N 1 3 206.333 2.466 10 0 BEAEHO C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)[C@H]1CCCNC1 ZINC000569454016 384058394 /nfs/dbraw/zinc/05/83/94/384058394.db2.gz UMLJXZNJUJYHAH-ZUWCUPBKSA-N 1 3 222.376 2.153 10 0 BEAEHO C[C@@H]1C[C@H](N(C)CCc2ccncc2)CC[N@@H+]1C ZINC000123546840 384566651 /nfs/dbraw/zinc/56/66/51/384566651.db2.gz NBTYWYMYSVOWHV-UKRRQHHQSA-N 1 3 247.386 2.039 10 0 BEAEHO C[C@@H]1C[C@H](N(C)CCc2ccncc2)CC[N@H+]1C ZINC000123546840 384566655 /nfs/dbraw/zinc/56/66/55/384566655.db2.gz NBTYWYMYSVOWHV-UKRRQHHQSA-N 1 3 247.386 2.039 10 0 BEAEHO [NH3+]C[C@@H]1CCCN(CCc2ccc(F)cc2)C1 ZINC000011888431 384705830 /nfs/dbraw/zinc/70/58/30/384705830.db2.gz RDHICDHGPRESKH-ZDUSSCGKSA-N 1 3 236.334 2.039 10 0 BEAEHO C[C@@H](NC1CCC([NH3+])CC1)c1nccs1 ZINC000083143317 384744074 /nfs/dbraw/zinc/74/40/74/384744074.db2.gz CCEBVNAQRAWHIX-XNWIYYODSA-N 1 3 225.361 2.064 10 0 BEAEHO Cc1cc(N[C@H](C)[C@H](C)[NH3+])c2ccccc2n1 ZINC000336099544 384890788 /nfs/dbraw/zinc/89/07/88/384890788.db2.gz LIGWOJRSNFICBU-WDEREUQCSA-N 1 3 229.327 2.113 10 0 BEAEHO Cc1cc(C)c(CNCC[C@H](C)[NH3+])cc1C ZINC000258681941 384931885 /nfs/dbraw/zinc/93/18/85/384931885.db2.gz DUWDYLQHFCXDRG-ZDUSSCGKSA-N 1 3 220.360 2.439 10 0 BEAEHO Cc1cccc(CNC(C)(C)CC[NH3+])c1 ZINC000258687720 384932603 /nfs/dbraw/zinc/93/26/03/384932603.db2.gz BGSRSBWTFYGTFI-UHFFFAOYSA-N 1 3 206.333 2.212 10 0 BEAEHO C[C@H](Cc1ccccc1)N1CCC([NH3+])CC1 ZINC000062179811 384983501 /nfs/dbraw/zinc/98/35/01/384983501.db2.gz MDILHHANIRJVPD-GFCCVEGCSA-N 1 3 218.344 2.041 10 0 BEAEHO CC(C)N1CC[C@H](C[NH2+][C@@H]2CCCSC2)C1 ZINC000061588942 385742322 /nfs/dbraw/zinc/74/23/22/385742322.db2.gz DEMWUSNSSPWNMW-CHWSQXEVSA-N 1 3 242.432 2.202 10 0 BEAEHO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCNC2)CC(C)(C)C1 ZINC000414864993 385771238 /nfs/dbraw/zinc/77/12/38/385771238.db2.gz CKCDTTSOKDNWMP-IJLUTSLNSA-N 1 3 210.365 2.153 10 0 BEAEHO FC1(F)CCC[C@@H](N[C@H]2CCC[NH2+]CC2)C1 ZINC000335035649 385925501 /nfs/dbraw/zinc/92/55/01/385925501.db2.gz WYFMBSJGGAINBI-WDEREUQCSA-N 1 3 232.318 2.296 10 0 BEAEHO FC1(F)CCC[C@@H]([NH2+][C@H]2CCCNCC2)C1 ZINC000335035649 385925504 /nfs/dbraw/zinc/92/55/04/385925504.db2.gz WYFMBSJGGAINBI-WDEREUQCSA-N 1 3 232.318 2.296 10 0 BEAEHO C([NH2+][C@H]1CCCNCC1)C12CCC(CC1)C2 ZINC000335023868 385983938 /nfs/dbraw/zinc/98/39/38/385983938.db2.gz JPZUTESWRDPQTN-MOKVOYLWSA-N 1 3 222.376 2.298 10 0 BEAEHO Fc1cccc(CCN[C@@H]2CCC[NH2+]CC2)c1 ZINC000128952096 386020599 /nfs/dbraw/zinc/02/05/99/386020599.db2.gz IPEICPMUEFSFAO-CQSZACIVSA-N 1 3 236.334 2.100 10 0 BEAEHO Fc1cccc(CC[NH2+][C@@H]2CCCNCC2)c1 ZINC000128952096 386020608 /nfs/dbraw/zinc/02/06/08/386020608.db2.gz IPEICPMUEFSFAO-CQSZACIVSA-N 1 3 236.334 2.100 10 0 BEAEHO CCC[C@@H]1C[C@H]1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000393943851 386188895 /nfs/dbraw/zinc/18/88/95/386188895.db2.gz CKUZDPSZJNLYIS-ZOBORPQBSA-N 1 3 222.376 2.391 10 0 BEAEHO CCC[C@@H]1C[C@H]1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000393943851 386188902 /nfs/dbraw/zinc/18/89/02/386188902.db2.gz CKUZDPSZJNLYIS-ZOBORPQBSA-N 1 3 222.376 2.391 10 0 BEAEHO CC(C)C[C@@H]1C[C@H]1[NH2+][C@H]1CCCNCC1 ZINC000395355300 386821395 /nfs/dbraw/zinc/82/13/95/386821395.db2.gz USJJKGZHSSHHDU-FRRDWIJNSA-N 1 3 210.365 2.153 10 0 BEAEHO CC(C)C[C@@H]1C[C@H]1N[C@H]1CCC[NH2+]CC1 ZINC000395355300 386821404 /nfs/dbraw/zinc/82/14/04/386821404.db2.gz USJJKGZHSSHHDU-FRRDWIJNSA-N 1 3 210.365 2.153 10 0 BEAEHO N[C@@H](CCCC[NH3+])c1cc(F)c(F)cc1F ZINC000575439577 387123441 /nfs/dbraw/zinc/12/34/41/387123441.db2.gz SGLWFEWAAMLFKE-NSHDSACASA-N 1 3 232.249 2.233 10 0 BEAEHO C[C@@H]([NH2+]CC1(C2CC2)CC1)[C@H]1CCCNC1 ZINC000514825104 387289972 /nfs/dbraw/zinc/28/99/72/387289972.db2.gz QEYOBSCCCMIUKY-NEPJUHHUSA-N 1 3 222.376 2.154 10 0 BEAEHO C[C@H]([NH2+]CC1(C2CC2)CC1)[C@@H]1CCCNC1 ZINC000514825105 387290172 /nfs/dbraw/zinc/29/01/72/387290172.db2.gz QEYOBSCCCMIUKY-NWDGAFQWSA-N 1 3 222.376 2.154 10 0 BEAEHO C[C@H](C[NH2+][C@@H](C)[C@@H]1CCCNC1)C1CC1 ZINC000643468322 387418193 /nfs/dbraw/zinc/41/81/93/387418193.db2.gz QBALEEIXAUISHF-NTZNESFSSA-N 1 3 210.365 2.010 10 0 BEAEHO C[C@H](Cc1cccs1)N[C@H](C)[C@H]1CC[NH2+]C1 ZINC000400709927 387566232 /nfs/dbraw/zinc/56/62/32/387566232.db2.gz LWYNZBCPMQRCCK-UTUOFQBUSA-N 1 3 238.400 2.267 10 0 BEAEHO CCC1CCC([NH2+][C@@H](C)C2CNC2)CC1 ZINC000422724514 387633244 /nfs/dbraw/zinc/63/32/44/387633244.db2.gz VWNDXEFKXAORQQ-ZBOXLXRLSA-N 1 3 210.365 2.153 10 0 BEAEHO C[C@H](NCCC(C)(F)F)[C@H]1CCC[NH2+]C1 ZINC000643491395 387665105 /nfs/dbraw/zinc/66/51/05/387665105.db2.gz IFZHQBOGAVOCSK-UWVGGRQHSA-N 1 3 220.307 2.009 10 0 BEAEHO C[C@H]([NH2+]CCC(C)(F)F)[C@H]1CCCNC1 ZINC000643491395 387665111 /nfs/dbraw/zinc/66/51/11/387665111.db2.gz IFZHQBOGAVOCSK-UWVGGRQHSA-N 1 3 220.307 2.009 10 0 BEAEHO CCSCCN(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123215275 387669031 /nfs/dbraw/zinc/66/90/31/387669031.db2.gz MGNJOUBBMRPZRK-VXGBXAGGSA-N 1 3 230.421 2.154 10 0 BEAEHO CCSCCN(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123215275 387669034 /nfs/dbraw/zinc/66/90/34/387669034.db2.gz MGNJOUBBMRPZRK-VXGBXAGGSA-N 1 3 230.421 2.154 10 0 BEAEHO C[C@@H]1CN(Cc2ccccc2)[C@H](C)[C@@H](C)[C@H]1[NH3+] ZINC000238850681 387936158 /nfs/dbraw/zinc/93/61/58/387936158.db2.gz CNGGMQNYSIBNDV-BHPKHCPMSA-N 1 3 232.371 2.490 10 0 BEAEHO CC(C)COCCC[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000520393120 256671740 /nfs/dbraw/zinc/67/17/40/256671740.db2.gz COAKEVNHLFIVQQ-ZIAGYGMSSA-N 1 3 242.407 2.027 10 0 BEAEHO C[C@H]([NH2+][C@H]1CSC1(C)C)[C@@H]1CCCCN1 ZINC000393852966 388443819 /nfs/dbraw/zinc/44/38/19/388443819.db2.gz OICIYLBQWSZNIZ-DCAQKATOSA-N 1 3 228.405 2.001 10 0 BEAEHO C[C@H](c1cccc(O)c1)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000310887881 388489834 /nfs/dbraw/zinc/48/98/34/388489834.db2.gz JUVGAWKKVOHQMH-LALPHHSUSA-N 1 3 248.370 2.370 10 0 BEAEHO N[C@H](CCCC[NH3+])c1cc(F)c(F)cc1F ZINC000575439631 388629090 /nfs/dbraw/zinc/62/90/90/388629090.db2.gz SGLWFEWAAMLFKE-LLVKDONJSA-N 1 3 232.249 2.233 10 0 BEAEHO C[N@H+](CC1CC(C)(C)C1)[C@H]1CCCNCC1 ZINC000530216679 388630228 /nfs/dbraw/zinc/63/02/28/388630228.db2.gz BUMSZMKIEFXEQN-ZDUSSCGKSA-N 1 3 224.392 2.497 10 0 BEAEHO C[N@@H+](CC1CC(C)(C)C1)[C@H]1CCCNCC1 ZINC000530216679 388630231 /nfs/dbraw/zinc/63/02/31/388630231.db2.gz BUMSZMKIEFXEQN-ZDUSSCGKSA-N 1 3 224.392 2.497 10 0 BEAEHO C[C@@H]([NH2+]CCCC1CC1)[C@H]1CCCNC1 ZINC000564826238 388891824 /nfs/dbraw/zinc/89/18/24/388891824.db2.gz HPDUFYKOJLAGFN-YPMHNXCESA-N 1 3 210.365 2.154 10 0 BEAEHO CC1(CN2CC[C@@H]([NH3+])C(C)(C)C2)CCC1 ZINC000261530835 135158800 /nfs/dbraw/zinc/15/88/00/135158800.db2.gz DGQDOQFWEMIUGA-LLVKDONJSA-N 1 3 210.365 2.236 10 0 BEAEHO C[C@H]1[C@H]([NH3+])CCN1CC1CCC(C)CC1 ZINC000261536981 135173404 /nfs/dbraw/zinc/17/34/04/135173404.db2.gz ULIUWVVUIDXIOR-PYNQCMFNSA-N 1 3 210.365 2.234 10 0 BEAEHO [NH3+]C[C@@H]1CCCN(C[C@H]2CCCC(F)(F)C2)C1 ZINC000261538157 135175450 /nfs/dbraw/zinc/17/54/50/135175450.db2.gz JYNKNPGEKVJAPV-RYUDHWBXSA-N 1 3 246.345 2.483 10 0 BEAEHO NC[C@@H]1CCC[N@H+](C[C@H]2CCCC(F)(F)C2)C1 ZINC000261538157 135175451 /nfs/dbraw/zinc/17/54/51/135175451.db2.gz JYNKNPGEKVJAPV-RYUDHWBXSA-N 1 3 246.345 2.483 10 0 BEAEHO NC[C@@H]1CCC[N@@H+](C[C@H]2CCCC(F)(F)C2)C1 ZINC000261538157 135175452 /nfs/dbraw/zinc/17/54/52/135175452.db2.gz JYNKNPGEKVJAPV-RYUDHWBXSA-N 1 3 246.345 2.483 10 0 BEAEHO C[C@@H]1C[C@@H](CN)C[N@@H+]1C[C@H]1CCCC(F)(F)C1 ZINC000261538252 135175758 /nfs/dbraw/zinc/17/57/58/135175758.db2.gz UGEOONNLIBNMLK-WOPDTQHZSA-N 1 3 246.345 2.481 10 0 BEAEHO C[C@@H]1C[C@@H](CN)C[N@H+]1C[C@H]1CCCC(F)(F)C1 ZINC000261538252 135175759 /nfs/dbraw/zinc/17/57/59/135175759.db2.gz UGEOONNLIBNMLK-WOPDTQHZSA-N 1 3 246.345 2.481 10 0 BEAEHO C[C@@H]1C[C@H](CN)C[N@@H+]1C[C@@H]1CCCC(F)(F)C1 ZINC000261538248 135175859 /nfs/dbraw/zinc/17/58/59/135175859.db2.gz UGEOONNLIBNMLK-IJLUTSLNSA-N 1 3 246.345 2.481 10 0 BEAEHO C[C@@H]1C[C@H](CN)C[N@H+]1C[C@@H]1CCCC(F)(F)C1 ZINC000261538248 135175861 /nfs/dbraw/zinc/17/58/61/135175861.db2.gz UGEOONNLIBNMLK-IJLUTSLNSA-N 1 3 246.345 2.481 10 0 BEAEHO C([C@H]1CCCNC1)[N@@H+]1CCCC2(CCC2)C1 ZINC000261802037 135254248 /nfs/dbraw/zinc/25/42/48/135254248.db2.gz HAAKFTDDPZCJFG-ZDUSSCGKSA-N 1 3 222.376 2.252 10 0 BEAEHO C([C@H]1CCCNC1)[N@H+]1CCCC2(CCC2)C1 ZINC000261802037 135254249 /nfs/dbraw/zinc/25/42/49/135254249.db2.gz HAAKFTDDPZCJFG-ZDUSSCGKSA-N 1 3 222.376 2.252 10 0 BEAEHO CC[C@H]([NH2+][C@H]1CC[C@H](N(C)C)C1)C(C)C ZINC000090968115 135556223 /nfs/dbraw/zinc/55/62/23/135556223.db2.gz CZGPMQCRFGTRGM-AVGNSLFASA-N 1 3 212.381 2.493 10 0 BEAEHO C[C@H]1C[C@H]([NH2+]CC2CNC2)CC(C)(C)C1 ZINC000335551107 136097914 /nfs/dbraw/zinc/09/79/14/136097914.db2.gz AJBKTLSBRMRLEW-JQWIXIFHSA-N 1 3 210.365 2.010 10 0 BEAEHO C[C@@H]1C[C@H]([NH2+]CC2CNC2)CC(C)(C)C1 ZINC000335551108 136098185 /nfs/dbraw/zinc/09/81/85/136098185.db2.gz AJBKTLSBRMRLEW-PWSUYJOCSA-N 1 3 210.365 2.010 10 0 BEAEHO Cc1cc(C)c(CN2C[C@@H]3C[NH2+]C[C@H]3C2)c(C)c1 ZINC000109683413 409572509 /nfs/dbraw/zinc/57/25/09/409572509.db2.gz IEPFVXMATSDZIW-GJZGRUSLSA-N 1 3 244.382 2.263 10 0 BEAEHO Cc1cc(C)c(CN2C[C@H]3C[NH2+]C[C@@H]3C2)c(C)c1 ZINC000109683409 409573477 /nfs/dbraw/zinc/57/34/77/409573477.db2.gz IEPFVXMATSDZIW-HUUCEWRRSA-N 1 3 244.382 2.263 10 0 BEAEHO CC(C)C[NH2+]CCC[C@H](C)N1CCO[C@H](C)C1 ZINC000052382618 167002497 /nfs/dbraw/zinc/00/24/97/167002497.db2.gz VVKSTHPNDYXGAH-UONOGXRCSA-N 1 3 242.407 2.121 10 0 BEAEHO CC(C)[C@@H](CN(C)C)N1Cc2ccccc2C1=[NH2+] ZINC000049217126 167394788 /nfs/dbraw/zinc/39/47/88/167394788.db2.gz FFNWZSNUGGCGKD-CQSZACIVSA-N 1 3 245.370 2.414 10 0 BEAEHO CN(CC(C)(C)[NH3+])c1ccnc2ccccc21 ZINC000656609664 411308834 /nfs/dbraw/zinc/30/88/34/411308834.db2.gz SETPCQCXWOCZIU-UHFFFAOYSA-N 1 3 229.327 2.408 10 0 BEAEHO CC1CCC([N@@H+]2CC[C@H](N)C[C@@H]2C)CC1 ZINC000049709751 168159741 /nfs/dbraw/zinc/15/97/41/168159741.db2.gz SUIGBUCAFLGZNL-ZFQMDJOTSA-N 1 3 210.365 2.377 10 0 BEAEHO CC1CCC([N@H+]2CC[C@H](N)C[C@@H]2C)CC1 ZINC000049709751 168159742 /nfs/dbraw/zinc/15/97/42/168159742.db2.gz SUIGBUCAFLGZNL-ZFQMDJOTSA-N 1 3 210.365 2.377 10 0 BEAEHO CC1CCC(N(C)C[C@]2(C)CC[NH2+]C2)CC1 ZINC000062911687 168159973 /nfs/dbraw/zinc/15/99/73/168159973.db2.gz PYDGKXIXTIBCPE-JXQTWKCFSA-N 1 3 224.392 2.497 10 0 BEAEHO CC1CC[NH+]([C@H]2CCCC[C@@H]2CN)CC1 ZINC000037156826 168187517 /nfs/dbraw/zinc/18/75/17/168187517.db2.gz IYJQXUBLPSMLQW-OLZOCXBDSA-N 1 3 210.365 2.236 10 0 BEAEHO CC[NH2+][C@@H]1CCC[C@@H]1CN1CCCSCC1 ZINC000053879669 170150978 /nfs/dbraw/zinc/15/09/78/170150978.db2.gz ODULMMFCECUKQI-CHWSQXEVSA-N 1 3 242.432 2.204 10 0 BEAEHO CC[NH2+][C@@H]1CCN(CC2CCC2)C[C@@H]1C ZINC000049710559 170151270 /nfs/dbraw/zinc/15/12/70/170151270.db2.gz NCPQFLMNBGKZBZ-WCQYABFASA-N 1 3 210.365 2.106 10 0 BEAEHO CC[NH2+][C@H]1CCN(CC(C)(C)C)C[C@@H]1C ZINC000049713170 170166702 /nfs/dbraw/zinc/16/67/02/170166702.db2.gz CIWPUYJPDHRDOJ-RYUDHWBXSA-N 1 3 212.381 2.352 10 0 BEAEHO CC[NH2+][C@H]1CCC[C@H]1CN1CCC(C)CC1 ZINC000053860880 170166961 /nfs/dbraw/zinc/16/69/61/170166961.db2.gz HORDZPUCDIFSBL-KBPBESRZSA-N 1 3 224.392 2.497 10 0 BEAEHO CC[NH2+][C@H]1CCc2c1cccc2OCCN(C)C ZINC000062799769 170168798 /nfs/dbraw/zinc/16/87/98/170168798.db2.gz SZXVMIBAJCAIOF-AWEZNQCLSA-N 1 3 248.370 2.224 10 0 BEAEHO CC[C@@H]1CC[C@H](N)[C@H]([N@H+](CCOC)C2CC2)C1 ZINC000042518156 171056702 /nfs/dbraw/zinc/05/67/02/171056702.db2.gz GTPLLROYJJQXPO-KWCYVHTRSA-N 1 3 240.391 2.003 10 0 BEAEHO CC[C@@H]1CC[C@H](N)[C@H]([N@@H+](CCOC)C2CC2)C1 ZINC000042518156 171056703 /nfs/dbraw/zinc/05/67/03/171056703.db2.gz GTPLLROYJJQXPO-KWCYVHTRSA-N 1 3 240.391 2.003 10 0 BEAEHO CC[C@H](C)C[N@@H+]1CCCN[C@@H](CC)CC1 ZINC000054490872 171279677 /nfs/dbraw/zinc/27/96/77/171279677.db2.gz XNEMSZIOEIYGQT-STQMWFEESA-N 1 3 212.381 2.497 10 0 BEAEHO CC[C@H](C)C[N@H+]1CCCN[C@@H](CC)CC1 ZINC000054490872 171279679 /nfs/dbraw/zinc/27/96/79/171279679.db2.gz XNEMSZIOEIYGQT-STQMWFEESA-N 1 3 212.381 2.497 10 0 BEAEHO C[C@H]1C[C@H](C[NH2+][C@@H]2CCNC2)C[C@@H](C)C1 ZINC000665239790 412179901 /nfs/dbraw/zinc/17/99/01/412179901.db2.gz ZGCXYWOZSVRBJP-MROQNXINSA-N 1 3 210.365 2.010 10 0 BEAEHO C[C@H]1CC(C[NH2+][C@H]2CCNC2)C[C@H](C)C1 ZINC000665239792 412180135 /nfs/dbraw/zinc/18/01/35/412180135.db2.gz ZGCXYWOZSVRBJP-WZRBSPASSA-N 1 3 210.365 2.010 10 0 BEAEHO C1CC(C2CCC([NH2+][C@H]3CCNC3)CC2)C1 ZINC000665284010 412229419 /nfs/dbraw/zinc/22/94/19/412229419.db2.gz YTFYMMVLHIJCHG-RUXDESIVSA-N 1 3 222.376 2.297 10 0 BEAEHO C[NH2+]CC(C)(C)CN1CCC(C)(C)CC1 ZINC000061822413 173336140 /nfs/dbraw/zinc/33/61/40/173336140.db2.gz XOPPNZUUDNBDFH-UHFFFAOYSA-N 1 3 212.381 2.354 10 0 BEAEHO CNCC(C)(C)C[NH+]1CCC(C)(C)CC1 ZINC000061822413 173336141 /nfs/dbraw/zinc/33/61/41/173336141.db2.gz XOPPNZUUDNBDFH-UHFFFAOYSA-N 1 3 212.381 2.354 10 0 BEAEHO C[NH2+]CCCCN(C)Cc1ccccc1OC ZINC000042442414 173345370 /nfs/dbraw/zinc/34/53/70/173345370.db2.gz XAWCEAVKQBEISK-UHFFFAOYSA-N 1 3 236.359 2.127 10 0 BEAEHO CNC[C@H]1CCC[N@@H+]([C@H](C)C2CCCC2)C1 ZINC000054082009 173379165 /nfs/dbraw/zinc/37/91/65/173379165.db2.gz SPWYLWMRRJQOBD-CHWSQXEVSA-N 1 3 224.392 2.497 10 0 BEAEHO CNC[C@H]1CCC[N@H+]([C@H](C)C2CCCC2)C1 ZINC000054082009 173379166 /nfs/dbraw/zinc/37/91/66/173379166.db2.gz SPWYLWMRRJQOBD-CHWSQXEVSA-N 1 3 224.392 2.497 10 0 BEAEHO CNCc1cc(C)ccc1OCC[NH+]1CCCC1 ZINC000071403541 173386252 /nfs/dbraw/zinc/38/62/52/173386252.db2.gz ZTRJKRZCKONIQD-UHFFFAOYSA-N 1 3 248.370 2.189 10 0 BEAEHO COCCN(C1CC1)[C@@]1(C[NH3+])CCCC[C@@H]1C ZINC000042517900 174285249 /nfs/dbraw/zinc/28/52/49/174285249.db2.gz FEMBKSWMOJKWQO-GXTWGEPZSA-N 1 3 240.391 2.005 10 0 BEAEHO COCCN(CC(C)C)[C@@H]1C[C@H](C)CC[C@@H]1[NH3+] ZINC000042368723 174287154 /nfs/dbraw/zinc/28/71/54/174287154.db2.gz VUTXUBNYPNFXCQ-HZSPNIEDSA-N 1 3 242.407 2.107 10 0 BEAEHO COCCN([C@H](C)C1CC1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000042616136 174302594 /nfs/dbraw/zinc/30/25/94/174302594.db2.gz LLWMEZRYEKZCBE-KWCYVHTRSA-N 1 3 240.391 2.003 10 0 BEAEHO COc1ccc2c(c1)CCC[C@@H]2NCCC[NH3+] ZINC000037713399 175207989 /nfs/dbraw/zinc/20/79/89/175207989.db2.gz WXVALGVDHFJRMN-AWEZNQCLSA-N 1 3 234.343 2.011 10 0 BEAEHO COc1cccc([C@H](C)N2CC[C@H](C[NH3+])C2)c1 ZINC000050245106 175292673 /nfs/dbraw/zinc/29/26/73/175292673.db2.gz VCXTXKXNJZLDCD-NWDGAFQWSA-N 1 3 234.343 2.037 10 0 BEAEHO C[C@@H](c1cccs1)N1CC[C@H](C[NH3+])C1 ZINC000035737082 176033714 /nfs/dbraw/zinc/03/37/14/176033714.db2.gz XZDHMSCIVWBHAY-VHSXEESVSA-N 1 3 210.346 2.090 10 0 BEAEHO C[C@@H]1CCCCN1Cc1cccc(C(N)=[NH2+])c1 ZINC000019482633 176073610 /nfs/dbraw/zinc/07/36/10/176073610.db2.gz ZILRBMXBUYMYDY-LLVKDONJSA-N 1 3 231.343 2.345 10 0 BEAEHO C[C@@H]1CCCCN1Cc1ccc(C(N)=[NH2+])cc1F ZINC000019480603 176073743 /nfs/dbraw/zinc/07/37/43/176073743.db2.gz HFGQBOPDJPMFRX-SNVBAGLBSA-N 1 3 249.333 2.484 10 0 BEAEHO C[C@@H]1CCCC[C@@H]1[NH+]1CCCNCCC1 ZINC000049665314 176078597 /nfs/dbraw/zinc/07/85/97/176078597.db2.gz WDNUUNHKJGCJIW-OLZOCXBDSA-N 1 3 210.365 2.251 10 0 BEAEHO C[C@@H]1CCCC[C@@]1(CN)[N@H+](C)Cc1cccnc1 ZINC000036770986 176083219 /nfs/dbraw/zinc/08/32/19/176083219.db2.gz SOCLIGCQEAXWNE-HIFRSBDPSA-N 1 3 247.386 2.421 10 0 BEAEHO C[C@@H]1CCCC[C@@]1(CN)[N@@H+](C)Cc1cccnc1 ZINC000036770986 176083221 /nfs/dbraw/zinc/08/32/21/176083221.db2.gz SOCLIGCQEAXWNE-HIFRSBDPSA-N 1 3 247.386 2.421 10 0 BEAEHO C[C@@H]1CCCN(Cc2ccc(C(N)=[NH2+])cc2F)C1 ZINC000019519613 176099649 /nfs/dbraw/zinc/09/96/49/176099649.db2.gz XOBHQFCXJYZBLI-SNVBAGLBSA-N 1 3 249.333 2.342 10 0 BEAEHO C[C@@H]1CCCN1Cc1ccc(C(N)=[NH2+])cc1F ZINC000037911066 176107901 /nfs/dbraw/zinc/10/79/01/176107901.db2.gz JSMRXWKKEWHQAV-SECBINFHSA-N 1 3 235.306 2.094 10 0 BEAEHO C[C@@H]1CCCN1Cc1cc(C[NH3+])ccc1F ZINC000037910075 176108999 /nfs/dbraw/zinc/10/89/99/176108999.db2.gz VSSWZXRNMNPJGC-SNVBAGLBSA-N 1 3 222.307 2.269 10 0 BEAEHO C[C@@H]1CCC[C@H]([NH+]2CCC(N)CC2)[C@@H]1C ZINC000019479429 176140879 /nfs/dbraw/zinc/14/08/79/176140879.db2.gz RWWYMGPURNNWNQ-WZRBSPASSA-N 1 3 210.365 2.234 10 0 BEAEHO C[C@@H]1CNC[C@@H](C)C[NH+](CC2CCCC2)C1 ZINC000049666026 176329057 /nfs/dbraw/zinc/32/90/57/176329057.db2.gz TVCKCAZMFGQXIQ-CHWSQXEVSA-N 1 3 224.392 2.354 10 0 BEAEHO C[C@@H]1CNC[C@@H](C)C[NH+](CC(C)(C)C)C1 ZINC000049667096 176329368 /nfs/dbraw/zinc/32/93/68/176329368.db2.gz ZTBUGKWPMYPZLF-VXGBXAGGSA-N 1 3 212.381 2.210 10 0 BEAEHO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCC[C@@H]1N ZINC000058058451 177077197 /nfs/dbraw/zinc/07/71/97/177077197.db2.gz HVQXIJXDQHORAG-AVGNSLFASA-N 1 3 210.365 2.378 10 0 BEAEHO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCC[C@@H]1N ZINC000058058451 177077200 /nfs/dbraw/zinc/07/72/00/177077200.db2.gz HVQXIJXDQHORAG-AVGNSLFASA-N 1 3 210.365 2.378 10 0 BEAEHO C[C@H]1CCCCN1Cc1ccccc1C(N)=[NH2+] ZINC000019437765 177077799 /nfs/dbraw/zinc/07/77/99/177077799.db2.gz OGVXRKCJKAZMHG-NSHDSACASA-N 1 3 231.343 2.345 10 0 BEAEHO C[C@H]1CCCN(Cc2ccc(C(N)=[NH2+])cc2F)C1 ZINC000019519614 177099916 /nfs/dbraw/zinc/09/99/16/177099916.db2.gz XOBHQFCXJYZBLI-JTQLQIEISA-N 1 3 249.333 2.342 10 0 BEAEHO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1occc1CN ZINC000052373319 177103643 /nfs/dbraw/zinc/10/36/43/177103643.db2.gz OUINUMFZGWQVJF-WDEREUQCSA-N 1 3 222.332 2.359 10 0 BEAEHO C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1occc1CN ZINC000052373319 177103644 /nfs/dbraw/zinc/10/36/44/177103644.db2.gz OUINUMFZGWQVJF-WDEREUQCSA-N 1 3 222.332 2.359 10 0 BEAEHO C[C@@H]1CCC[C@H](C)[N@H+]1C[C@@H]1CCC[C@@H]1N ZINC000058058427 177117881 /nfs/dbraw/zinc/11/78/81/177117881.db2.gz IUZAKXVLAMMAOF-RNJOBUHISA-N 1 3 210.365 2.377 10 0 BEAEHO C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@@H]1CCC[C@@H]1N ZINC000058058427 177117882 /nfs/dbraw/zinc/11/78/82/177117882.db2.gz IUZAKXVLAMMAOF-RNJOBUHISA-N 1 3 210.365 2.377 10 0 BEAEHO C[C@H]1CC[C@@H](CN)C[N@@H+]1CCc1ccccc1 ZINC000042427371 177189948 /nfs/dbraw/zinc/18/99/48/177189948.db2.gz SHIOOIDCYVGEGV-ZFWWWQNUSA-N 1 3 232.371 2.288 10 0 BEAEHO C[C@H]1CC[C@@H](CN)C[N@H+]1CCc1ccccc1 ZINC000042427371 177189949 /nfs/dbraw/zinc/18/99/49/177189949.db2.gz SHIOOIDCYVGEGV-ZFWWWQNUSA-N 1 3 232.371 2.288 10 0 BEAEHO C[C@H]1CC[C@@H](C[NH3+])CN1CCc1ccccc1 ZINC000042427371 177189950 /nfs/dbraw/zinc/18/99/50/177189950.db2.gz SHIOOIDCYVGEGV-ZFWWWQNUSA-N 1 3 232.371 2.288 10 0 BEAEHO C[C@@H]1C[N@H+]([C@]2(CN)CCCC[C@@H]2C)C[C@H](C)O1 ZINC000019515834 177276059 /nfs/dbraw/zinc/27/60/59/177276059.db2.gz YYTZQACFASOKKM-FQUUOJAGSA-N 1 3 240.391 2.003 10 0 BEAEHO C[C@@H]1C[N@@H+]([C@]2(CN)CCCC[C@@H]2C)C[C@H](C)O1 ZINC000019515834 177276061 /nfs/dbraw/zinc/27/60/61/177276061.db2.gz YYTZQACFASOKKM-FQUUOJAGSA-N 1 3 240.391 2.003 10 0 BEAEHO C[C@H]1CNC[C@H](C)C[NH+](C(C2CC2)C2CC2)C1 ZINC000049668088 177285753 /nfs/dbraw/zinc/28/57/53/177285753.db2.gz NERSHPNGSGXCDO-RYUDHWBXSA-N 1 3 236.403 2.352 10 0 BEAEHO C[C@H](NCC1=CCCCC1)[C@H]1CC[NH2+]C1 ZINC000400697972 226349578 /nfs/dbraw/zinc/34/95/78/226349578.db2.gz JMJYFPGMEWBMPI-AAEUAGOBSA-N 1 3 208.349 2.074 10 0 BEAEHO C[C@H](Cc1ccsc1)[NH2+][C@@H]1CCC[C@H]1CN ZINC000251697910 487791797 /nfs/dbraw/zinc/79/17/97/487791797.db2.gz MUNGLKRJUGMNFX-KGYLQXTDSA-N 1 3 238.400 2.396 10 0 BEAEHO C[C@H]([NH2+]CC1(C)CCC1)[C@H]1CCCNC1 ZINC000667023770 487932041 /nfs/dbraw/zinc/93/20/41/487932041.db2.gz ZRRIZFOWFGTILT-RYUDHWBXSA-N 1 3 210.365 2.154 10 0 BEAEHO C[C@H]([NH2+]C[C@H]1CCCC1(F)F)[C@H]1CCCNC1 ZINC000570507884 323061662 /nfs/dbraw/zinc/06/16/62/323061662.db2.gz MUDUDIBGNFQQIK-SDDRHHMPSA-N 1 3 246.345 2.400 10 0 BEAEHO C[C@H](NC[C@H]1CCCC1(F)F)[C@H]1CCC[NH2+]C1 ZINC000570507884 323061663 /nfs/dbraw/zinc/06/16/63/323061663.db2.gz MUDUDIBGNFQQIK-SDDRHHMPSA-N 1 3 246.345 2.400 10 0 BEAEHO CCSCCC[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000570624403 323064814 /nfs/dbraw/zinc/06/48/14/323064814.db2.gz LYDOXDGNPSHXNS-NEPJUHHUSA-N 1 3 230.421 2.107 10 0 BEAEHO C[C@H]([NH2+]CC1CCCC1)[C@@H]1CCCNC1 ZINC000563796847 323178008 /nfs/dbraw/zinc/17/80/08/323178008.db2.gz OJHGGUUMYRUYDM-WCQYABFASA-N 1 3 210.365 2.154 10 0 BEAEHO COC[C@H](C)C[NH2+]CCCN1CCCC[C@@H]1C ZINC000131682658 325177394 /nfs/dbraw/zinc/17/73/94/325177394.db2.gz NGGHXHZUPPIFAV-KGLIPLIRSA-N 1 3 242.407 2.123 10 0 BEAEHO C[C@H]([NH2+]C[C@H]1CC=CCC1)[C@@H]1CCCNC1 ZINC000566791087 326082527 /nfs/dbraw/zinc/08/25/27/326082527.db2.gz PJVYFVPQFJADRS-MELADBBJSA-N 1 3 222.376 2.320 10 0 BEAEHO C[C@H]([NH2+]CC1CCSCC1)[C@@H]1CCCNC1 ZINC000566908915 326092918 /nfs/dbraw/zinc/09/29/18/326092918.db2.gz GRUXSNXTSQETBN-WCQYABFASA-N 1 3 242.432 2.107 10 0 BEAEHO C[C@H](Cc1cccs1)[NH2+][C@H]1CCC[C@@H]1CN ZINC000084219304 488038364 /nfs/dbraw/zinc/03/83/64/488038364.db2.gz XEWVDQRFHJEKEU-WZRBSPASSA-N 1 3 238.400 2.396 10 0 BEAEHO CC(C)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000389587341 488102071 /nfs/dbraw/zinc/10/20/71/488102071.db2.gz KCFPGWHMQIQGGU-AVGNSLFASA-N 1 3 210.365 2.092 10 0 BEAEHO CC(C)[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000389587341 488102075 /nfs/dbraw/zinc/10/20/75/488102075.db2.gz KCFPGWHMQIQGGU-AVGNSLFASA-N 1 3 210.365 2.092 10 0 BEAEHO CC(C)[C@H](C)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000252417609 487824191 /nfs/dbraw/zinc/82/41/91/487824191.db2.gz RVKBRXDCICPMFX-MELADBBJSA-N 1 3 224.392 2.495 10 0 BEAEHO CC(C)CC[N@@H+]1CCC[C@]12CNC[C@H](C)C2 ZINC000757127976 582503421 /nfs/dbraw/zinc/50/34/21/582503421.db2.gz IKGITYXQIRLARY-KGLIPLIRSA-N 1 3 224.392 2.497 10 0 BEAEHO CC(C)CC[N@H+]1CCC[C@]12CNC[C@H](C)C2 ZINC000757127976 582503424 /nfs/dbraw/zinc/50/34/24/582503424.db2.gz IKGITYXQIRLARY-KGLIPLIRSA-N 1 3 224.392 2.497 10 0 BEAEHO CC(C)CCN1CCC[C@]12C[NH2+]C[C@H](C)C2 ZINC000757127976 582503426 /nfs/dbraw/zinc/50/34/26/582503426.db2.gz IKGITYXQIRLARY-KGLIPLIRSA-N 1 3 224.392 2.497 10 0 BEAEHO CC[C@H](C)[N@@H+]1CCC[C@@]12CCCN[C@H]2C ZINC000757133858 582510491 /nfs/dbraw/zinc/51/04/91/582510491.db2.gz VJGNNYWCYIUNKB-RWMBFGLXSA-N 1 3 210.365 2.391 10 0 BEAEHO CC[C@H](C)[N@H+]1CCC[C@@]12CCCN[C@H]2C ZINC000757133858 582510492 /nfs/dbraw/zinc/51/04/92/582510492.db2.gz VJGNNYWCYIUNKB-RWMBFGLXSA-N 1 3 210.365 2.391 10 0 BEAEHO CC[C@H](C)N1CCC[C@@]12CCC[NH2+][C@H]2C ZINC000757133858 582510493 /nfs/dbraw/zinc/51/04/93/582510493.db2.gz VJGNNYWCYIUNKB-RWMBFGLXSA-N 1 3 210.365 2.391 10 0 BEAEHO CC[C@H](C)[N@@H+]1CCC[C@]12CCCN[C@H]2C ZINC000757133855 582510721 /nfs/dbraw/zinc/51/07/21/582510721.db2.gz VJGNNYWCYIUNKB-AVGNSLFASA-N 1 3 210.365 2.391 10 0 BEAEHO CC[C@H](C)[N@H+]1CCC[C@]12CCCN[C@H]2C ZINC000757133855 582510722 /nfs/dbraw/zinc/51/07/22/582510722.db2.gz VJGNNYWCYIUNKB-AVGNSLFASA-N 1 3 210.365 2.391 10 0 BEAEHO CC[C@H](C)N1CCC[C@]12CCC[NH2+][C@H]2C ZINC000757133855 582510723 /nfs/dbraw/zinc/51/07/23/582510723.db2.gz VJGNNYWCYIUNKB-AVGNSLFASA-N 1 3 210.365 2.391 10 0 BEAEHO C[C@H](CCc1ccco1)N[C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400521978 534000396 /nfs/dbraw/zinc/00/03/96/534000396.db2.gz OSLUVHFOLVCPKZ-FRRDWIJNSA-N 1 3 236.359 2.188 10 0 BEAEHO CC(C)CN1CC[C@@H]([NH2+]C2CC2)[C@H](C)C1 ZINC000242592202 519731061 /nfs/dbraw/zinc/73/10/61/519731061.db2.gz OMERQUVAOCXVFM-DGCLKSJQSA-N 1 3 210.365 2.105 10 0 BEAEHO CC(C)C[N@@H+]1CC[C@@H](NC2CC2)[C@H](C)C1 ZINC000242592202 519731064 /nfs/dbraw/zinc/73/10/64/519731064.db2.gz OMERQUVAOCXVFM-DGCLKSJQSA-N 1 3 210.365 2.105 10 0 BEAEHO CC(C)C[N@H+]1CC[C@@H](NC2CC2)[C@H](C)C1 ZINC000242592202 519731066 /nfs/dbraw/zinc/73/10/66/519731066.db2.gz OMERQUVAOCXVFM-DGCLKSJQSA-N 1 3 210.365 2.105 10 0 BEAEHO CCC[NH2+][C@H]1CCN(CC(C)C)C[C@H]1C ZINC000242539020 520093765 /nfs/dbraw/zinc/09/37/65/520093765.db2.gz JLZDNMLZVHZDLZ-OLZOCXBDSA-N 1 3 212.381 2.352 10 0 BEAEHO CCOCCC[N@@H+]1CCC[C@@]12CCCN[C@@H]2C ZINC000757124003 582499528 /nfs/dbraw/zinc/49/95/28/582499528.db2.gz BELULRICDQELPM-ZIAGYGMSSA-N 1 3 240.391 2.020 10 0 BEAEHO CCOCCC[N@H+]1CCC[C@@]12CCCN[C@@H]2C ZINC000757124003 582499529 /nfs/dbraw/zinc/49/95/29/582499529.db2.gz BELULRICDQELPM-ZIAGYGMSSA-N 1 3 240.391 2.020 10 0 BEAEHO C[C@@H]1C[C@@H]1[N@@H+]1CCC[C@]12CCCN[C@@H]2C ZINC000757126508 582500917 /nfs/dbraw/zinc/50/09/17/582500917.db2.gz FYQUXPWBMFWGDT-NDBYEHHHSA-N 1 3 208.349 2.001 10 0 BEAEHO C[C@@H]1C[C@@H]1[N@H+]1CCC[C@]12CCCN[C@@H]2C ZINC000757126508 582500918 /nfs/dbraw/zinc/50/09/18/582500918.db2.gz FYQUXPWBMFWGDT-NDBYEHHHSA-N 1 3 208.349 2.001 10 0 BEAEHO C[C@@H]1C[C@@H]1[N@@H+]1CCC[C@]12CCCN[C@H]2C ZINC000757126509 582501380 /nfs/dbraw/zinc/50/13/80/582501380.db2.gz FYQUXPWBMFWGDT-VOAKCMCISA-N 1 3 208.349 2.001 10 0 BEAEHO C[C@@H]1C[C@@H]1[N@H+]1CCC[C@]12CCCN[C@H]2C ZINC000757126509 582501381 /nfs/dbraw/zinc/50/13/81/582501381.db2.gz FYQUXPWBMFWGDT-VOAKCMCISA-N 1 3 208.349 2.001 10 0 BEAEHO CC[C@H](C)N1CCC[C@]12CC[C@@H](C)[NH2+]C2 ZINC000757130786 582505003 /nfs/dbraw/zinc/50/50/03/582505003.db2.gz NYYNHKFEJDZOOO-FRRDWIJNSA-N 1 3 210.365 2.391 10 0 BEAEHO CC[C@H](C)[N@@H+]1CCC[C@]12CC[C@@H](C)NC2 ZINC000757130786 582505005 /nfs/dbraw/zinc/50/50/05/582505005.db2.gz NYYNHKFEJDZOOO-FRRDWIJNSA-N 1 3 210.365 2.391 10 0 BEAEHO CC[C@H](C)[N@H+]1CCC[C@]12CC[C@@H](C)NC2 ZINC000757130786 582505006 /nfs/dbraw/zinc/50/50/06/582505006.db2.gz NYYNHKFEJDZOOO-FRRDWIJNSA-N 1 3 210.365 2.391 10 0 BEAEHO C[C@H](C1CC1)[N@@H+]1CCCC12CCNCC2 ZINC000757134203 582510452 /nfs/dbraw/zinc/51/04/52/582510452.db2.gz WSKFFWZUIJQNCR-LLVKDONJSA-N 1 3 208.349 2.003 10 0 BEAEHO C[C@H](C1CC1)[N@H+]1CCCC12CCNCC2 ZINC000757134203 582510453 /nfs/dbraw/zinc/51/04/53/582510453.db2.gz WSKFFWZUIJQNCR-LLVKDONJSA-N 1 3 208.349 2.003 10 0 BEAEHO C[N@@H+]1CCC[C@@]2(CC1)N[C@H](C(C)(C)C)CCO2 ZINC000757141650 582522650 /nfs/dbraw/zinc/52/26/50/582522650.db2.gz PQRGPTKUGIKWPX-GXTWGEPZSA-N 1 3 240.391 2.223 10 0 BEAEHO C[N@H+]1CCC[C@@]2(CC1)N[C@H](C(C)(C)C)CCO2 ZINC000757141650 582522651 /nfs/dbraw/zinc/52/26/51/582522651.db2.gz PQRGPTKUGIKWPX-GXTWGEPZSA-N 1 3 240.391 2.223 10 0 BEAEHO CN1CCC[C@@]2(CC1)[NH2+][C@H](C(C)(C)C)CCO2 ZINC000757141650 582522652 /nfs/dbraw/zinc/52/26/52/582522652.db2.gz PQRGPTKUGIKWPX-GXTWGEPZSA-N 1 3 240.391 2.223 10 0 BEAEHO C[C@@H]1CC[C@]2(CCC[N@@H+]2CC2CC2)CN1 ZINC000757129711 586426362 /nfs/dbraw/zinc/42/63/62/586426362.db2.gz MUVWJIRIDRPGMR-DGCLKSJQSA-N 1 3 208.349 2.003 10 0 BEAEHO C[C@@H]1CC[C@]2(CCC[N@H+]2CC2CC2)CN1 ZINC000757129711 586426364 /nfs/dbraw/zinc/42/63/64/586426364.db2.gz MUVWJIRIDRPGMR-DGCLKSJQSA-N 1 3 208.349 2.003 10 0 BEAEHO C[C@@H]1CC[C@@H](C[NH3+])[C@@H](c2cccs2)N1 ZINC000757213458 586439840 /nfs/dbraw/zinc/43/98/40/586439840.db2.gz KHJKMHRGQKGJHK-YWVKMMECSA-N 1 3 210.346 2.136 10 0 BEAEHO C[C@@H]1[NH2+][C@H](c2cccc3cc[nH]c32)CC[C@@H]1N ZINC000757218275 586441593 /nfs/dbraw/zinc/44/15/93/586441593.db2.gz UUIAZCQENYZUNX-XDTLVQLUSA-N 1 3 229.327 2.308 10 0 BEAEHO Cc1ccc(N)cc1[C@@H]1N[C@H](C)C[C@@H](C)[C@@H]1C[NH3+] ZINC000757228590 586442919 /nfs/dbraw/zinc/44/29/19/586442919.db2.gz DBGPZWHRPRLHOO-FIXIBIHLSA-N 1 3 247.386 2.211 10 0 BEAEHO c1ccc(CCN[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000217651056 592148643 /nfs/dbraw/zinc/14/86/43/592148643.db2.gz QBSGTAUPVKFANE-CVEARBPZSA-N 1 3 244.382 2.446 10 0 BEAEHO c1ccc(CCN[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000217651056 592148644 /nfs/dbraw/zinc/14/86/44/592148644.db2.gz QBSGTAUPVKFANE-CVEARBPZSA-N 1 3 244.382 2.446 10 0 BEAEHO CS[C@@H]1CC[C@@H]([NH2+][C@H]2CCCNCC2)C1 ZINC000300382519 592509055 /nfs/dbraw/zinc/50/90/55/592509055.db2.gz GTFNTXIECMWJBE-QJPTWQEYSA-N 1 3 228.405 2.002 10 0 BEAEHO CS[C@@H]1CC[C@H]([NH2+][C@H]2CCCNCC2)C1 ZINC000300382520 592509233 /nfs/dbraw/zinc/50/92/33/592509233.db2.gz GTFNTXIECMWJBE-SDDRHHMPSA-N 1 3 228.405 2.002 10 0 BEAEHO CSCCCCCC[NH2+]C1CCNCC1 ZINC000235102498 631951563 /nfs/dbraw/zinc/95/15/63/631951563.db2.gz NQBAHWVRORCRCV-UHFFFAOYSA-N 1 3 230.421 2.251 10 0 BEAEHO C[C@H]([N@H+](C)CCCNC1CC1)C(C)(C)C ZINC000042779641 641557582 /nfs/dbraw/zinc/55/75/82/641557582.db2.gz YOKPAOGCVGDGKK-NSHDSACASA-N 1 3 212.381 2.495 10 0 BEAEHO C[C@H]([N@@H+](C)CCCNC1CC1)C(C)(C)C ZINC000042779641 641557585 /nfs/dbraw/zinc/55/75/85/641557585.db2.gz YOKPAOGCVGDGKK-NSHDSACASA-N 1 3 212.381 2.495 10 0 BEAEHO C[C@@H]([N@H+](C)CCCNC1CC1)C(C)(C)C ZINC000042779643 641558441 /nfs/dbraw/zinc/55/84/41/641558441.db2.gz YOKPAOGCVGDGKK-LLVKDONJSA-N 1 3 212.381 2.495 10 0 BEAEHO C[C@@H]([N@@H+](C)CCCNC1CC1)C(C)(C)C ZINC000042779643 641558445 /nfs/dbraw/zinc/55/84/45/641558445.db2.gz YOKPAOGCVGDGKK-LLVKDONJSA-N 1 3 212.381 2.495 10 0 BEAEHO C[C@@H]1CN([C@@H]2C[C@@H]2c2ccccc2)CC[C@H]1[NH3+] ZINC000251925996 644830020 /nfs/dbraw/zinc/83/00/20/644830020.db2.gz YIRKCKKSGODIAD-NMFUWQPSSA-N 1 3 230.355 2.212 10 0 BEAEHO C[C@@H]1C[C@@H](CN)C[N@@H+]1C[C@@H]1CCCCC1(F)F ZINC000381590225 398265090 /nfs/dbraw/zinc/26/50/90/398265090.db2.gz DIRSECRDHRRGFI-WOPDTQHZSA-N 1 3 246.345 2.481 10 0 BEAEHO C[C@@H]1C[C@@H](CN)C[N@H+]1C[C@@H]1CCCCC1(F)F ZINC000381590225 398265092 /nfs/dbraw/zinc/26/50/92/398265092.db2.gz DIRSECRDHRRGFI-WOPDTQHZSA-N 1 3 246.345 2.481 10 0 BEAEHO [NH3+]C[C@@H]1CCN(C[C@@H]2CCCCC2(F)F)C1 ZINC000381700612 398270104 /nfs/dbraw/zinc/27/01/04/398270104.db2.gz OSIAREHDRLOPEC-QWRGUYRKSA-N 1 3 232.318 2.093 10 0 BEAEHO NC[C@@H]1CC[N@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000381700612 398270106 /nfs/dbraw/zinc/27/01/06/398270106.db2.gz OSIAREHDRLOPEC-QWRGUYRKSA-N 1 3 232.318 2.093 10 0 BEAEHO NC[C@@H]1CC[N@@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000381700612 398270108 /nfs/dbraw/zinc/27/01/08/398270108.db2.gz OSIAREHDRLOPEC-QWRGUYRKSA-N 1 3 232.318 2.093 10 0 BEAEHO CCCCN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037916081 398335185 /nfs/dbraw/zinc/33/51/85/398335185.db2.gz YXOKMQJJFIBUQN-OLZOCXBDSA-N 1 3 210.365 2.251 10 0 BEAEHO C[C@H]([NH2+]C[C@@]1(C)CCCS1)[C@@H]1CCCNC1 ZINC000567642546 323034388 /nfs/dbraw/zinc/03/43/88/323034388.db2.gz STPJWAWPMBDMTB-YNEHKIRRSA-N 1 3 242.432 2.250 10 0 BEAEHO CC[C@@H]1CC[C@@H](CCN2CCCC2)[NH2+]C1 ZINC000238311304 343255149 /nfs/dbraw/zinc/25/51/49/343255149.db2.gz ZNHJTBIWSIYVQQ-OLZOCXBDSA-N 1 3 210.365 2.251 10 0 BEAEHO FC1(F)CCC[C@@H]2C[N@@H+](C3CCNCC3)C[C@H]21 ZINC000409431492 343823743 /nfs/dbraw/zinc/82/37/43/343823743.db2.gz SMLZHNROBGCDGV-ZYHUDNBSSA-N 1 3 244.329 2.106 10 0 BEAEHO FC1(F)CCC[C@@H]2C[N@H+](C3CCNCC3)C[C@H]21 ZINC000409431492 343823745 /nfs/dbraw/zinc/82/37/45/343823745.db2.gz SMLZHNROBGCDGV-ZYHUDNBSSA-N 1 3 244.329 2.106 10 0 BEAEHO CC1(C)CC[N@H+](Cc2ccccc2)C[C@@H]1N ZINC000084231946 344189877 /nfs/dbraw/zinc/18/98/77/344189877.db2.gz PJHDTNJPMKQDGF-ZDUSSCGKSA-N 1 3 218.344 2.246 10 0 BEAEHO CC1(C)CC[N@@H+](Cc2ccccc2)C[C@@H]1N ZINC000084231946 344189880 /nfs/dbraw/zinc/18/98/80/344189880.db2.gz PJHDTNJPMKQDGF-ZDUSSCGKSA-N 1 3 218.344 2.246 10 0 BEAEHO C[NH2+]Cc1ccc(CN2CCC[C@@H](OC)C2)cc1 ZINC000117575469 344747589 /nfs/dbraw/zinc/74/75/89/344747589.db2.gz JNAGYJJPVVQTEO-OAHLLOKOSA-N 1 3 248.370 2.017 10 0 BEAEHO Cc1ccsc1CN1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000634999742 345200241 /nfs/dbraw/zinc/20/02/41/345200241.db2.gz YNWZGCQEXRIFHS-MNOVXSKESA-N 1 3 224.373 2.083 10 0 BEAEHO Cc1ccsc1C[N@H+]1C[C@@H](C)[C@@H](CN)C1 ZINC000634999742 345200244 /nfs/dbraw/zinc/20/02/44/345200244.db2.gz YNWZGCQEXRIFHS-MNOVXSKESA-N 1 3 224.373 2.083 10 0 BEAEHO Cc1ccsc1C[N@@H+]1C[C@@H](C)[C@@H](CN)C1 ZINC000634999742 345200246 /nfs/dbraw/zinc/20/02/46/345200246.db2.gz YNWZGCQEXRIFHS-MNOVXSKESA-N 1 3 224.373 2.083 10 0 BEAEHO CC(C)=CC[NH2+]CCCN1CCCCC1 ZINC000236731331 192089602 /nfs/dbraw/zinc/08/96/02/192089602.db2.gz AOCYPVDJNPANQO-UHFFFAOYSA-N 1 3 210.365 2.418 10 0 BEAEHO C[C@H](C[NH3+])CN1CCC(c2ccccc2)CC1 ZINC000034506353 345829202 /nfs/dbraw/zinc/82/92/02/345829202.db2.gz ZPZAQKWMPMTCMV-CYBMUJFWSA-N 1 3 232.371 2.461 10 0 BEAEHO C[C@H](CN)C[NH+]1CCC(c2ccccc2)CC1 ZINC000034506353 345829207 /nfs/dbraw/zinc/82/92/07/345829207.db2.gz ZPZAQKWMPMTCMV-CYBMUJFWSA-N 1 3 232.371 2.461 10 0 BEAEHO FCC[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000034191896 346222013 /nfs/dbraw/zinc/22/20/13/346222013.db2.gz RGCIBHZTGYXCKV-AWEZNQCLSA-N 1 3 236.334 2.068 10 0 BEAEHO CC[N@@H+](Cc1cncc(CN)c1)CC(C)C ZINC000669378410 537966604 /nfs/dbraw/zinc/96/66/04/537966604.db2.gz DKRJNJPFTXPSLJ-UHFFFAOYSA-N 1 3 221.348 2.018 10 0 BEAEHO CC[N@H+](Cc1cncc(CN)c1)CC(C)C ZINC000669378410 537966613 /nfs/dbraw/zinc/96/66/13/537966613.db2.gz DKRJNJPFTXPSLJ-UHFFFAOYSA-N 1 3 221.348 2.018 10 0 BEAEHO CCC[NH+](CCC)Cc1cncc(CN)c1 ZINC000669379126 537975815 /nfs/dbraw/zinc/97/58/15/537975815.db2.gz STDYSMDQTKQBHO-UHFFFAOYSA-N 1 3 221.348 2.162 10 0 BEAEHO CCN1CCC[C@@H](Nc2cc[nH+]c(C)c2)C1 ZINC000229564191 346437707 /nfs/dbraw/zinc/43/77/07/346437707.db2.gz KCZZSXHKDKNWQC-CYBMUJFWSA-N 1 3 219.332 2.286 10 0 BEAEHO [NH3+]CCCN1CCC2(CCc3ccccc32)CC1 ZINC000039151424 347181315 /nfs/dbraw/zinc/18/13/15/347181315.db2.gz VWELYQXBIFLMFS-UHFFFAOYSA-N 1 3 244.382 2.315 10 0 BEAEHO Cc1ccccc1C[N@H+]1CCNC[C@H](C)C1 ZINC000049662202 179274078 /nfs/dbraw/zinc/27/40/78/179274078.db2.gz MMEMAFLJDQGNDA-LBPRGKRZSA-N 1 3 218.344 2.036 10 0 BEAEHO Cc1ccccc1C[N@@H+]1CCNC[C@H](C)C1 ZINC000049662202 179274080 /nfs/dbraw/zinc/27/40/80/179274080.db2.gz MMEMAFLJDQGNDA-LBPRGKRZSA-N 1 3 218.344 2.036 10 0 BEAEHO Cc1ccccc1[C@H](C)N1CCC([NH3+])CC1 ZINC000034958679 179334395 /nfs/dbraw/zinc/33/43/95/179334395.db2.gz OUJGEZAHHGZHDY-LBPRGKRZSA-N 1 3 218.344 2.479 10 0 BEAEHO CC(C)SCCN[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000571669324 323177057 /nfs/dbraw/zinc/17/70/57/323177057.db2.gz GNAFTAHDJRBWNB-NWDGAFQWSA-N 1 3 230.421 2.106 10 0 BEAEHO CC(C)SCC[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000571669324 323177058 /nfs/dbraw/zinc/17/70/58/323177058.db2.gz GNAFTAHDJRBWNB-NWDGAFQWSA-N 1 3 230.421 2.106 10 0 BEAEHO CCSC1(C[NH2+][C@@H]2CCCNCC2)CC1 ZINC000596653193 348607005 /nfs/dbraw/zinc/60/70/05/348607005.db2.gz SUDINKVGFGONTJ-LLVKDONJSA-N 1 3 228.405 2.004 10 0 BEAEHO CCSC1(CN[C@@H]2CCC[NH2+]CC2)CC1 ZINC000596653193 348607007 /nfs/dbraw/zinc/60/70/07/348607007.db2.gz SUDINKVGFGONTJ-LLVKDONJSA-N 1 3 228.405 2.004 10 0 BEAEHO Cc1nc2ccc(N[C@H]3CCC[N@@H+](C)C3)cc2[nH]1 ZINC000075184396 180096340 /nfs/dbraw/zinc/09/63/40/180096340.db2.gz STLXGWQEALCTGQ-LBPRGKRZSA-N 1 3 244.342 2.377 10 0 BEAEHO CN(C)[C@@H]1CCCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000606304073 351559975 /nfs/dbraw/zinc/55/99/75/351559975.db2.gz NGMVPAQWEPDLCT-YNEHKIRRSA-N 1 3 210.365 2.249 10 0 BEAEHO CN[C@@H]1CC[N@@H+](C2CCC(C)CC2)C[C@H]1C ZINC000049709736 188125711 /nfs/dbraw/zinc/12/57/11/188125711.db2.gz QAPRNYNNUXPARC-FKZOYECMSA-N 1 3 224.392 2.495 10 0 BEAEHO CN[C@@H]1CC[N@H+](C2CCC(C)CC2)C[C@H]1C ZINC000049709736 188125712 /nfs/dbraw/zinc/12/57/12/188125712.db2.gz QAPRNYNNUXPARC-FKZOYECMSA-N 1 3 224.392 2.495 10 0 BEAEHO C[NH2+][C@@H]1CCN(C2CCC(C)CC2)C[C@H]1C ZINC000049709736 188125713 /nfs/dbraw/zinc/12/57/13/188125713.db2.gz QAPRNYNNUXPARC-FKZOYECMSA-N 1 3 224.392 2.495 10 0 BEAEHO CC[C@@H]1C[N@H+](Cc2ccccc2)CCCN1 ZINC000082367950 188138640 /nfs/dbraw/zinc/13/86/40/188138640.db2.gz CVMQAWVOJPHXOU-CQSZACIVSA-N 1 3 218.344 2.261 10 0 BEAEHO CC[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1 ZINC000082367950 188138642 /nfs/dbraw/zinc/13/86/42/188138642.db2.gz CVMQAWVOJPHXOU-CQSZACIVSA-N 1 3 218.344 2.261 10 0 BEAEHO CC(C)N(C)CCC[NH2+][C@@H]1CCCSC1 ZINC000128242150 188143368 /nfs/dbraw/zinc/14/33/68/188143368.db2.gz IUENKTVUGKKMIU-GFCCVEGCSA-N 1 3 230.421 2.202 10 0 BEAEHO CC(C)[N@H+](C)CCCN[C@@H]1CCCSC1 ZINC000128242150 188143370 /nfs/dbraw/zinc/14/33/70/188143370.db2.gz IUENKTVUGKKMIU-GFCCVEGCSA-N 1 3 230.421 2.202 10 0 BEAEHO CC(C)[N@@H+](C)CCCN[C@@H]1CCCSC1 ZINC000128242150 188143371 /nfs/dbraw/zinc/14/33/71/188143371.db2.gz IUENKTVUGKKMIU-GFCCVEGCSA-N 1 3 230.421 2.202 10 0 BEAEHO CC(C)C[C@H](C)[N@@H+]1CCCN[C@@H](C)CC1 ZINC000049666034 188153491 /nfs/dbraw/zinc/15/34/91/188153491.db2.gz SFZHRSBDFNPJTJ-STQMWFEESA-N 1 3 212.381 2.495 10 0 BEAEHO CC(C)C[C@H](C)[N@H+]1CCCN[C@@H](C)CC1 ZINC000049666034 188153493 /nfs/dbraw/zinc/15/34/93/188153493.db2.gz SFZHRSBDFNPJTJ-STQMWFEESA-N 1 3 212.381 2.495 10 0 BEAEHO C[C@H](CCC1CC1)[NH2+][C@@H]1CCC[C@@H]1CN ZINC000398074221 324217144 /nfs/dbraw/zinc/21/71/44/324217144.db2.gz KKKPFGNLGQAELN-RAIGVLPGSA-N 1 3 210.365 2.282 10 0 BEAEHO [NH2+]=C(c1ccccc1)N1CC[C@H](N2CCCC2)C1 ZINC000062994111 181206172 /nfs/dbraw/zinc/20/61/72/181206172.db2.gz DRBYPAWQFIAYAL-AWEZNQCLSA-N 1 3 243.354 2.182 10 0 BEAEHO C1=CC[C@@H](CC[NH2+]C2CCNCC2)CC1 ZINC000530217955 355899751 /nfs/dbraw/zinc/89/97/51/355899751.db2.gz DAZTTWKFZWFELW-GFCCVEGCSA-N 1 3 208.349 2.074 10 0 BEAEHO C[C@@H]1C[C@H](C)C[N@H+]([C@H]2[C@H](C)CNC[C@@H]2C)C1 ZINC000685951090 538894242 /nfs/dbraw/zinc/89/42/42/538894242.db2.gz MSDXRQCKWQTYTQ-KCLGILNXSA-N 1 3 224.392 2.208 10 0 BEAEHO C[C@@H]1C[C@H](C)C[N@@H+]([C@H]2[C@H](C)CNC[C@@H]2C)C1 ZINC000685951090 538894243 /nfs/dbraw/zinc/89/42/43/538894243.db2.gz MSDXRQCKWQTYTQ-KCLGILNXSA-N 1 3 224.392 2.208 10 0 BEAEHO C[C@@H]1CNC[C@@H](C)C1[N@@H+]1CCC[C@@H](C)[C@H]1C ZINC000685951778 538895088 /nfs/dbraw/zinc/89/50/88/538895088.db2.gz YBEXMWBJOJKQSU-FDYHWXHSSA-N 1 3 224.392 2.351 10 0 BEAEHO C[C@@H]1CNC[C@@H](C)C1[N@H+]1CCC[C@@H](C)[C@H]1C ZINC000685951778 538895089 /nfs/dbraw/zinc/89/50/89/538895089.db2.gz YBEXMWBJOJKQSU-FDYHWXHSSA-N 1 3 224.392 2.351 10 0 BEAEHO C[C@H]1CNC[C@H](C)C1[NH+]1CCCCCC1 ZINC000685951733 538895258 /nfs/dbraw/zinc/89/52/58/538895258.db2.gz WNPYJZRQRMVBCI-RYUDHWBXSA-N 1 3 210.365 2.106 10 0 BEAEHO C[C@@H](NCCc1ccsc1)[C@H]1CCC[NH2+]C1 ZINC000584833979 358197196 /nfs/dbraw/zinc/19/71/96/358197196.db2.gz BCYZPULDEVOPCB-YPMHNXCESA-N 1 3 238.400 2.268 10 0 BEAEHO C[C@@H]([NH2+]CCc1ccsc1)[C@H]1CCCNC1 ZINC000584833979 358197198 /nfs/dbraw/zinc/19/71/98/358197198.db2.gz BCYZPULDEVOPCB-YPMHNXCESA-N 1 3 238.400 2.268 10 0 BEAEHO CCN1CCC[C@H](Nc2cc[nH+]cc2C)C1 ZINC000070047152 359040451 /nfs/dbraw/zinc/04/04/51/359040451.db2.gz WAZANJHJVJQXDB-LBPRGKRZSA-N 1 3 219.332 2.286 10 0 BEAEHO [NH3+]C1CCN([C@H]2CCc3ccccc32)CC1 ZINC000026514463 181345367 /nfs/dbraw/zinc/34/53/67/181345367.db2.gz WWOHYLBDKWFZGN-AWEZNQCLSA-N 1 3 216.328 2.097 10 0 BEAEHO CCNCc1csc(-c2cccc(C[NH3+])c2)n1 ZINC000725263453 541336722 /nfs/dbraw/zinc/33/67/22/541336722.db2.gz HDRIZFMWMRSOSQ-UHFFFAOYSA-N 1 3 247.367 2.378 10 0 BEAEHO CC(C)CC[NH2+][C@]12CCN[C@@H]1CCCC2 ZINC000725272953 541340355 /nfs/dbraw/zinc/34/03/55/541340355.db2.gz WDTFMLGJSGKQSU-CHWSQXEVSA-N 1 3 210.365 2.297 10 0 BEAEHO C[C@H]([NH2+][C@@H]1CSC1(C)C)[C@H]1CCCCN1 ZINC000393852984 541375929 /nfs/dbraw/zinc/37/59/29/541375929.db2.gz OICIYLBQWSZNIZ-HBNTYKKESA-N 1 3 228.405 2.001 10 0 BEAEHO CC[C@@H]1C[C@H]1C[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000573830849 364927298 /nfs/dbraw/zinc/92/72/98/364927298.db2.gz MUHIGRQFCISIOV-RNJOBUHISA-N 1 3 210.365 2.010 10 0 BEAEHO [NH3+]CCCN[C@H]1CCCCc2ccccc21 ZINC000037713151 181383826 /nfs/dbraw/zinc/38/38/26/181383826.db2.gz KJEAFQXHLCBUSW-AWEZNQCLSA-N 1 3 218.344 2.393 10 0 BEAEHO C[C@H](NCCOc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000574308207 365033010 /nfs/dbraw/zinc/03/30/10/365033010.db2.gz SGGKFFULWKQPAG-UONOGXRCSA-N 1 3 248.370 2.043 10 0 BEAEHO CCOCC(C)(C)C[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000574747850 365133447 /nfs/dbraw/zinc/13/34/47/365133447.db2.gz RCHGQECTVDMDPO-OLZOCXBDSA-N 1 3 242.407 2.027 10 0 BEAEHO C[C@@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@@H](N)C2)C[C@H](C)O1 ZINC000579613595 366908450 /nfs/dbraw/zinc/90/84/50/366908450.db2.gz VLFJVNQUGBMRPU-XVIXHAIJSA-N 1 3 240.391 2.050 10 0 BEAEHO C[C@@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@H](N)C2)C[C@H](C)O1 ZINC000579613596 366909273 /nfs/dbraw/zinc/90/92/73/366909273.db2.gz VLFJVNQUGBMRPU-ZUWCUPBKSA-N 1 3 240.391 2.050 10 0 BEAEHO NC[C@@H]1CCC[C@H]1[NH+]1CCCCCCC1 ZINC000037158792 181431903 /nfs/dbraw/zinc/43/19/03/181431903.db2.gz NKULTPYSWJDVAE-QWHCGFSZSA-N 1 3 210.365 2.380 10 0 BEAEHO CC[C@H](CC(F)F)C[N@@H+]1C[C@@H](C)[C@@H](CN)C1 ZINC000631837123 372627803 /nfs/dbraw/zinc/62/78/03/372627803.db2.gz NBLOHWQOODGQFJ-MXWKQRLJSA-N 1 3 234.334 2.194 10 0 BEAEHO CC[C@H](CC(F)F)C[N@H+]1C[C@@H](C)[C@@H](CN)C1 ZINC000631837123 372627805 /nfs/dbraw/zinc/62/78/05/372627805.db2.gz NBLOHWQOODGQFJ-MXWKQRLJSA-N 1 3 234.334 2.194 10 0 BEAEHO CC(C)C[C@@H](N)C[NH2+]Cc1cccs1 ZINC000040397568 373219915 /nfs/dbraw/zinc/21/99/15/373219915.db2.gz DXHKHZDEPZBIJT-SNVBAGLBSA-N 1 3 212.362 2.211 10 0 BEAEHO CCCN1CC[C@@H]([NH2+]CC(C)C)[C@H](C)C1 ZINC000073654045 169206240 /nfs/dbraw/zinc/20/62/40/169206240.db2.gz RRNQJHWAOWCJDL-CHWSQXEVSA-N 1 3 212.381 2.352 10 0 BEAEHO CCC[NH2+]CCCCCN1CCO[C@H](CC)C1 ZINC000052477294 169257368 /nfs/dbraw/zinc/25/73/68/169257368.db2.gz XCNAEOWFPHCINA-CQSZACIVSA-N 1 3 242.407 2.267 10 0 BEAEHO CCCNCC[C@H](C)[N@H+](C)CC1CCOCC1 ZINC000104195011 169261174 /nfs/dbraw/zinc/26/11/74/169261174.db2.gz CZTOXMKKGBONCT-ZDUSSCGKSA-N 1 3 242.407 2.123 10 0 BEAEHO CCCNCC[C@H](C)[N@@H+](C)CC1CCOCC1 ZINC000104195011 169261176 /nfs/dbraw/zinc/26/11/76/169261176.db2.gz CZTOXMKKGBONCT-ZDUSSCGKSA-N 1 3 242.407 2.123 10 0 BEAEHO CCC[NH2+]CC[C@H](C)N(C)CC1CCOCC1 ZINC000104195011 169261178 /nfs/dbraw/zinc/26/11/78/169261178.db2.gz CZTOXMKKGBONCT-ZDUSSCGKSA-N 1 3 242.407 2.123 10 0 BEAEHO CCC[NH2+]C[C@H](CC)OCCN1CCCCC1 ZINC000052670692 169263830 /nfs/dbraw/zinc/26/38/30/169263830.db2.gz QGDWJEXZGRGPGU-AWEZNQCLSA-N 1 3 242.407 2.267 10 0 BEAEHO CCC[NH2+][C@@H]1CCN(CC(C)C)C[C@@H]1C ZINC000049709012 169281991 /nfs/dbraw/zinc/28/19/91/169281991.db2.gz JLZDNMLZVHZDLZ-QWHCGFSZSA-N 1 3 212.381 2.352 10 0 BEAEHO CCCCN1CC[C@H]([NH2+]C(C)C)[C@@H](C)C1 ZINC000226858543 134370448 /nfs/dbraw/zinc/37/04/48/134370448.db2.gz GZFFYQUFKQSBIG-STQMWFEESA-N 1 3 212.381 2.495 10 0 BEAEHO C[C@H]1[C@@H]([NH3+])CCN(Cc2ccccc2)[C@H]1C ZINC000068592790 384002316 /nfs/dbraw/zinc/00/23/16/384002316.db2.gz NWKPWPVTPIKZQR-DYEKYZERSA-N 1 3 218.344 2.244 10 0 BEAEHO C[C@@H]1C[NH2+][C@H](c2ccc(OCCN(C)C)cc2)C1 ZINC000003705116 384022951 /nfs/dbraw/zinc/02/29/51/384022951.db2.gz NUAMEKJUQIMRNT-WFASDCNBSA-N 1 3 248.370 2.298 10 0 BEAEHO C[N@H+](Cc1ccccc1)[C@H]1CCCC[C@H]1N ZINC000072233352 384086536 /nfs/dbraw/zinc/08/65/36/384086536.db2.gz FTAQCJUQTAEZTC-KGLIPLIRSA-N 1 3 218.344 2.388 10 0 BEAEHO C[N@@H+](Cc1ccccc1)[C@H]1CCCC[C@H]1N ZINC000072233352 384086542 /nfs/dbraw/zinc/08/65/42/384086542.db2.gz FTAQCJUQTAEZTC-KGLIPLIRSA-N 1 3 218.344 2.388 10 0 BEAEHO [NH3+]C[C@@H]1CC[C@@H](Nc2ccnc3ccccc32)C1 ZINC000335581075 384343395 /nfs/dbraw/zinc/34/33/95/384343395.db2.gz MQDWTFHPOPOASL-VXGBXAGGSA-N 1 3 241.338 2.196 10 0 BEAEHO CN(C)[C@H]1CC[C@@H]([NH2+]C2CC(C)(C)C2)C1 ZINC000309038340 384393490 /nfs/dbraw/zinc/39/34/90/384393490.db2.gz JOSLALXYAPVKEH-PWSUYJOCSA-N 1 3 210.365 2.247 10 0 BEAEHO CN(C)[C@H]1CC[C@H]([NH2+]C2CC(C)(C)C2)C1 ZINC000309038339 384394246 /nfs/dbraw/zinc/39/42/46/384394246.db2.gz JOSLALXYAPVKEH-JQWIXIFHSA-N 1 3 210.365 2.247 10 0 BEAEHO Cn1cc(CNCCC[NH+](C)C)c2ccccc21 ZINC000045946160 384414996 /nfs/dbraw/zinc/41/49/96/384414996.db2.gz SXAPYCIGIXXMTN-UHFFFAOYSA-N 1 3 245.370 2.220 10 0 BEAEHO C[C@H]([NH2+]CCc1cccs1)[C@@H]1CCCNC1 ZINC000560966881 384430283 /nfs/dbraw/zinc/43/02/83/384430283.db2.gz XZASZKUNQJKKJF-NWDGAFQWSA-N 1 3 238.400 2.268 10 0 BEAEHO C[C@H](NCCc1cccs1)[C@@H]1CCC[NH2+]C1 ZINC000560966881 384430287 /nfs/dbraw/zinc/43/02/87/384430287.db2.gz XZASZKUNQJKKJF-NWDGAFQWSA-N 1 3 238.400 2.268 10 0 BEAEHO FC1(F)CCC[C@H]1CN[C@H]1CCC[NH2+]CC1 ZINC000335661255 384465432 /nfs/dbraw/zinc/46/54/32/384465432.db2.gz FUDIYVZUMPXCEA-QWRGUYRKSA-N 1 3 232.318 2.154 10 0 BEAEHO FC1(F)CCC[C@H]1C[NH2+][C@H]1CCCNCC1 ZINC000335661255 384465439 /nfs/dbraw/zinc/46/54/39/384465439.db2.gz FUDIYVZUMPXCEA-QWRGUYRKSA-N 1 3 232.318 2.154 10 0 BEAEHO Cc1ccc([C@H](C)NCCC[NH3+])cc1C ZINC000037713396 384513609 /nfs/dbraw/zinc/51/36/09/384513609.db2.gz WSKCMBQDHNUXCM-LBPRGKRZSA-N 1 3 206.333 2.303 10 0 BEAEHO C1[C@H](N[C@@H]2CCC[NH2+]CC2)C12CCCC2 ZINC000334591088 384519700 /nfs/dbraw/zinc/51/97/00/384519700.db2.gz KEEGRIMIBOKAII-NEPJUHHUSA-N 1 3 208.349 2.051 10 0 BEAEHO C1[C@H]([NH2+][C@@H]2CCCNCC2)C12CCCC2 ZINC000334591088 384519705 /nfs/dbraw/zinc/51/97/05/384519705.db2.gz KEEGRIMIBOKAII-NEPJUHHUSA-N 1 3 208.349 2.051 10 0 BEAEHO CC[C@H](CNC[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000398293964 384893688 /nfs/dbraw/zinc/89/36/88/384893688.db2.gz NDDFXINAVDENOT-ZIAGYGMSSA-N 1 3 232.371 2.379 10 0 BEAEHO CC(C)N(C)CCC[NH2+][C@H]1CCCSC1 ZINC000128242392 385015457 /nfs/dbraw/zinc/01/54/57/385015457.db2.gz IUENKTVUGKKMIU-LBPRGKRZSA-N 1 3 230.421 2.202 10 0 BEAEHO CC(C)[N@H+](C)CCCN[C@H]1CCCSC1 ZINC000128242392 385015458 /nfs/dbraw/zinc/01/54/58/385015458.db2.gz IUENKTVUGKKMIU-LBPRGKRZSA-N 1 3 230.421 2.202 10 0 BEAEHO CC(C)[N@@H+](C)CCCN[C@H]1CCCSC1 ZINC000128242392 385015459 /nfs/dbraw/zinc/01/54/59/385015459.db2.gz IUENKTVUGKKMIU-LBPRGKRZSA-N 1 3 230.421 2.202 10 0 BEAEHO C[C@H](Cc1ccc(Cl)cc1)[NH2+]CCCN ZINC000211682482 385745904 /nfs/dbraw/zinc/74/59/04/385745904.db2.gz ZDTNSAPHMKGVND-SNVBAGLBSA-N 1 3 226.751 2.209 10 0 BEAEHO C[C@H](Cc1ccc(Cl)cc1)NCCC[NH3+] ZINC000211682482 385745908 /nfs/dbraw/zinc/74/59/08/385745908.db2.gz ZDTNSAPHMKGVND-SNVBAGLBSA-N 1 3 226.751 2.209 10 0 BEAEHO C[C@H](C[NH2+][C@H]1CCCNCC1)CC(F)F ZINC000647801460 385811936 /nfs/dbraw/zinc/81/19/36/385811936.db2.gz WIPGMHICPNIOQZ-UWVGGRQHSA-N 1 3 220.307 2.009 10 0 BEAEHO CC(C)CCN(C[C@@]1(C)CC[NH2+]C1)C1CC1 ZINC000112530911 385845541 /nfs/dbraw/zinc/84/55/41/385845541.db2.gz KCPMZTNSVSAICQ-AWEZNQCLSA-N 1 3 224.392 2.497 10 0 BEAEHO C([NH2+][C@@H]1CCCNCC1)C12CCC(CC1)C2 ZINC000335023869 385985590 /nfs/dbraw/zinc/98/55/90/385985590.db2.gz JPZUTESWRDPQTN-ROKHWSDSSA-N 1 3 222.376 2.298 10 0 BEAEHO COc1ccc(Cl)cc1[C@H](N)CCCC[NH3+] ZINC000575439370 387124169 /nfs/dbraw/zinc/12/41/69/387124169.db2.gz SXNNJZPHVXZDHE-LLVKDONJSA-N 1 3 242.750 2.477 10 0 BEAEHO C(CN1CCCC1)C[N@@H+]1CCCC2(CC2)C1 ZINC000186955932 387155318 /nfs/dbraw/zinc/15/53/18/387155318.db2.gz APKVRWDYSZQSHB-UHFFFAOYSA-N 1 3 222.376 2.348 10 0 BEAEHO C(CN1CCCC1)C[N@H+]1CCCC2(CC2)C1 ZINC000186955932 387155321 /nfs/dbraw/zinc/15/53/21/387155321.db2.gz APKVRWDYSZQSHB-UHFFFAOYSA-N 1 3 222.376 2.348 10 0 BEAEHO C[C@@H]1[NH2+]CCC[C@H]1N[C@@H]1CCC12CCCC2 ZINC000423371592 387225764 /nfs/dbraw/zinc/22/57/64/387225764.db2.gz HPRSOVNVWSVBKG-YNEHKIRRSA-N 1 3 222.376 2.439 10 0 BEAEHO C[C@@H]1[NH2+]CCC[C@@H]1N[C@@H]1CCC12CCCC2 ZINC000423371590 387227200 /nfs/dbraw/zinc/22/72/00/387227200.db2.gz HPRSOVNVWSVBKG-RWMBFGLXSA-N 1 3 222.376 2.439 10 0 BEAEHO C[C@@H]([NH2+]C[C@@H](C)C1CC1)[C@@H]1CCCNC1 ZINC000643468321 387418158 /nfs/dbraw/zinc/41/81/58/387418158.db2.gz QBALEEIXAUISHF-NQBHXWOUSA-N 1 3 210.365 2.010 10 0 BEAEHO C[C@@H](C[NH2+][C@H]1CCCNCC1)CC(F)(F)F ZINC000396897899 387509758 /nfs/dbraw/zinc/50/97/58/387509758.db2.gz AISHFZSFLKIGMW-ZJUUUORDSA-N 1 3 238.297 2.307 10 0 BEAEHO C[C@H](NC[C@H]1CCCC1(F)F)[C@@H]1CC[NH2+]C1 ZINC000400509561 387986552 /nfs/dbraw/zinc/98/65/52/387986552.db2.gz FDUFLECIJQYQFP-HBNTYKKESA-N 1 3 232.318 2.009 10 0 BEAEHO NC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCC12CCCC2 ZINC000423274868 388055054 /nfs/dbraw/zinc/05/50/54/388055054.db2.gz MQWAYNSTNBLOMJ-YNEHKIRRSA-N 1 3 222.376 2.426 10 0 BEAEHO CCC[C@@H]1C[C@H]1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000393943848 388447357 /nfs/dbraw/zinc/44/73/57/388447357.db2.gz CKUZDPSZJNLYIS-YIYPIFLZSA-N 1 3 222.376 2.391 10 0 BEAEHO CCC[C@@H]1C[C@H]1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000393943848 388447358 /nfs/dbraw/zinc/44/73/58/388447358.db2.gz CKUZDPSZJNLYIS-YIYPIFLZSA-N 1 3 222.376 2.391 10 0 BEAEHO C[C@H]([NH2+][C@@H]1CCC[C@@H]1CN)[C@H]1CC1(C)C ZINC000397606926 388483162 /nfs/dbraw/zinc/48/31/62/388483162.db2.gz ALFFDRXXRKHJGE-IRCOFANPSA-N 1 3 210.365 2.138 10 0 BEAEHO C[C@H]([NH2+][C@@H]1CCC[C@@H]1CN)[C@@H]1CC1(C)C ZINC000397606932 388483368 /nfs/dbraw/zinc/48/33/68/388483368.db2.gz ALFFDRXXRKHJGE-WHOHXGKFSA-N 1 3 210.365 2.138 10 0 BEAEHO [NH3+]CC1CCN(c2ccnc3ccccc32)CC1 ZINC000044514898 132298234 /nfs/dbraw/zinc/29/82/34/132298234.db2.gz ORVRWSLADAPRRF-UHFFFAOYSA-N 1 3 241.338 2.410 10 0 BEAEHO Cc1ccc2nccc(N3CCC([NH3+])CC3)c2c1 ZINC000073738614 132303324 /nfs/dbraw/zinc/30/33/24/132303324.db2.gz LSRAWHDTAYPPMK-UHFFFAOYSA-N 1 3 241.338 2.471 10 0 BEAEHO C([C@H]1CCN(C2CCC2)C1)[NH+]1CCCCC1 ZINC000178996715 134313924 /nfs/dbraw/zinc/31/39/24/134313924.db2.gz AOVURXQPVBVZKA-CYBMUJFWSA-N 1 3 222.376 2.347 10 0 BEAEHO C([C@H]1CC[N@@H+](C2CCC2)C1)N1CCCCC1 ZINC000178996715 134313925 /nfs/dbraw/zinc/31/39/25/134313925.db2.gz AOVURXQPVBVZKA-CYBMUJFWSA-N 1 3 222.376 2.347 10 0 BEAEHO C([C@H]1CC[N@H+](C2CCC2)C1)N1CCCCC1 ZINC000178996715 134313926 /nfs/dbraw/zinc/31/39/26/134313926.db2.gz AOVURXQPVBVZKA-CYBMUJFWSA-N 1 3 222.376 2.347 10 0 BEAEHO [NH3+]C1CCN(C[C@@H]2CCCC(F)(F)C2)CC1 ZINC000261533105 135164516 /nfs/dbraw/zinc/16/45/16/135164516.db2.gz QHKINQZWZUBZAM-SNVBAGLBSA-N 1 3 232.318 2.235 10 0 BEAEHO C[C@@H]1[C@H]([NH3+])CCN1CC1CCC(C)CC1 ZINC000261536980 135173307 /nfs/dbraw/zinc/17/33/07/135173307.db2.gz ULIUWVVUIDXIOR-POOIEITISA-N 1 3 210.365 2.234 10 0 BEAEHO C[NH2+]C[C@H]1CCN(C[C@H]2CCCC(F)(F)C2)C1 ZINC000261538279 135175870 /nfs/dbraw/zinc/17/58/70/135175870.db2.gz VCIOJOMDSVQUED-NWDGAFQWSA-N 1 3 246.345 2.353 10 0 BEAEHO C[NH2+]C[C@H]1CCN(C[C@@H]2CCCC(F)(F)C2)C1 ZINC000261538283 135175902 /nfs/dbraw/zinc/17/59/02/135175902.db2.gz VCIOJOMDSVQUED-VXGBXAGGSA-N 1 3 246.345 2.353 10 0 BEAEHO CC1CCC(C[N@@H+]2C[C@H]3CCCN[C@H]3C2)CC1 ZINC000299918631 135382416 /nfs/dbraw/zinc/38/24/16/135382416.db2.gz KKYAMEVBVGJCDL-CVSAEHQPSA-N 1 3 236.403 2.497 10 0 BEAEHO CC1CCC(C[N@H+]2C[C@H]3CCCN[C@H]3C2)CC1 ZINC000299918631 135382418 /nfs/dbraw/zinc/38/24/18/135382418.db2.gz KKYAMEVBVGJCDL-CVSAEHQPSA-N 1 3 236.403 2.497 10 0 BEAEHO C[C@@H]([NH2+]CCCC1CC1)[C@@H]1CCCNC1 ZINC000564826236 398045645 /nfs/dbraw/zinc/04/56/45/398045645.db2.gz HPDUFYKOJLAGFN-DGCLKSJQSA-N 1 3 210.365 2.154 10 0 BEAEHO CC(C)C[NH2+]C[C@H]1CCCN1c1ccncc1 ZINC000053697269 167008281 /nfs/dbraw/zinc/00/82/81/167008281.db2.gz MMJQGYWLONNUBG-CQSZACIVSA-N 1 3 233.359 2.296 10 0 BEAEHO CC(C)[NH2+]Cc1ccc(CN(C)C)s1 ZINC000045206484 167119705 /nfs/dbraw/zinc/11/97/05/167119705.db2.gz XKGBKGNDMTXMNQ-UHFFFAOYSA-N 1 3 212.362 2.308 10 0 BEAEHO CC(C)OCCN(C)Cc1cccc(C[NH3+])c1 ZINC000049259240 167229645 /nfs/dbraw/zinc/22/96/45/167229645.db2.gz LZNONJKINBDMFU-UHFFFAOYSA-N 1 3 236.359 2.002 10 0 BEAEHO CC1CC[NH+](C[C@H]2CCCC[C@@H]2N)CC1 ZINC000058081650 168182635 /nfs/dbraw/zinc/18/26/35/168182635.db2.gz VEBBQEWMYSTPOY-OLZOCXBDSA-N 1 3 210.365 2.236 10 0 BEAEHO CC1CC[NH+](C[C@@H]2CCCC[C@H]2N)CC1 ZINC000058081656 168183153 /nfs/dbraw/zinc/18/31/53/168183153.db2.gz VEBBQEWMYSTPOY-QWHCGFSZSA-N 1 3 210.365 2.236 10 0 BEAEHO CCC(C)(C)[NH+]1C[C@H](C)CNC[C@@H](C)C1 ZINC000049665006 168288308 /nfs/dbraw/zinc/28/83/08/168288308.db2.gz SRKGHOKKZMUNGC-VXGBXAGGSA-N 1 3 212.381 2.352 10 0 BEAEHO CC[NH2+]C[C@H](C)CN1CCC(CC)CC1 ZINC000052346932 170122302 /nfs/dbraw/zinc/12/23/02/170122302.db2.gz MFAVTOZNMVAEEH-LBPRGKRZSA-N 1 3 212.381 2.354 10 0 BEAEHO CC[NH2+]C[C@H](OCCN1CCCCC1)C(C)C ZINC000052670617 170122653 /nfs/dbraw/zinc/12/26/53/170122653.db2.gz GALHMWZZGZMGPZ-AWEZNQCLSA-N 1 3 242.407 2.123 10 0 BEAEHO CC[NH2+]Cc1ccoc1CN(CC)CC ZINC000052378174 170129526 /nfs/dbraw/zinc/12/95/26/170129526.db2.gz GABOABNPPASAET-UHFFFAOYSA-N 1 3 210.321 2.231 10 0 BEAEHO CC[NH2+][C@H]1CCC[C@@H]1CN1CCCSCC1 ZINC000053879671 170166451 /nfs/dbraw/zinc/16/64/51/170166451.db2.gz ODULMMFCECUKQI-OLZOCXBDSA-N 1 3 242.432 2.204 10 0 BEAEHO CCOC1CCN(C[C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000053858546 170331977 /nfs/dbraw/zinc/33/19/77/170331977.db2.gz PFARLFLLUMGDNY-JSGCOSHPSA-N 1 3 240.391 2.005 10 0 BEAEHO CC[C@@H]1CC[N@@H+](C2CCCC2)CCCN1 ZINC000049664878 171009138 /nfs/dbraw/zinc/00/91/38/171009138.db2.gz SRRBKDVUDSFVCC-GFCCVEGCSA-N 1 3 210.365 2.393 10 0 BEAEHO CC[C@@H]1CC[N@H+](C2CCCC2)CCCN1 ZINC000049664878 171009140 /nfs/dbraw/zinc/00/91/40/171009140.db2.gz SRRBKDVUDSFVCC-GFCCVEGCSA-N 1 3 210.365 2.393 10 0 BEAEHO CC[C@H](C)[N@H+](CC)CC1(CNC)CCOCC1 ZINC000052181404 171311708 /nfs/dbraw/zinc/31/17/08/171311708.db2.gz MJUBQVDFXWSFQU-ZDUSSCGKSA-N 1 3 242.407 2.123 10 0 BEAEHO CC[C@H](C)[N@@H+](CC)CC1(CNC)CCOCC1 ZINC000052181404 171311709 /nfs/dbraw/zinc/31/17/09/171311709.db2.gz MJUBQVDFXWSFQU-ZDUSSCGKSA-N 1 3 242.407 2.123 10 0 BEAEHO CC[C@H](C)N(CCOC)CC(CC)(CC)C[NH3+] ZINC000051256508 171315376 /nfs/dbraw/zinc/31/53/76/171315376.db2.gz KWPNHWPRNUNKKP-ZDUSSCGKSA-N 1 3 244.423 2.498 10 0 BEAEHO CC[C@H](C)N(CCOC)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000042581342 171315842 /nfs/dbraw/zinc/31/58/42/171315842.db2.gz YNXWCWFAGZVZMH-MELADBBJSA-N 1 3 242.407 2.393 10 0 BEAEHO C[C@@H]([NH2+]CCC(C)(C)F)[C@H]1CCCNC1 ZINC000665261702 412204536 /nfs/dbraw/zinc/20/45/36/412204536.db2.gz JWQOWITXRZHGER-MNOVXSKESA-N 1 3 216.344 2.102 10 0 BEAEHO C[C@H]([NH2+]C[C@@]1(C)CC1(F)F)[C@H]1CCCNC1 ZINC000665265672 412209426 /nfs/dbraw/zinc/20/94/26/412209426.db2.gz ZAXVZOXMGIZBLA-GARJFASQSA-N 1 3 232.318 2.009 10 0 BEAEHO C[C@H](NC[C@@]1(C)CC1(F)F)[C@H]1CCC[NH2+]C1 ZINC000665265672 412209428 /nfs/dbraw/zinc/20/94/28/412209428.db2.gz ZAXVZOXMGIZBLA-GARJFASQSA-N 1 3 232.318 2.009 10 0 BEAEHO CNC[C@@H]1CC[N@@H+](C2CCCCCC2)C1 ZINC000011892089 173369803 /nfs/dbraw/zinc/36/98/03/173369803.db2.gz MYQDXFSIEQYJAO-LBPRGKRZSA-N 1 3 210.365 2.251 10 0 BEAEHO CNC[C@@H]1CC[N@H+](C2CCCCCC2)C1 ZINC000011892089 173369805 /nfs/dbraw/zinc/36/98/05/173369805.db2.gz MYQDXFSIEQYJAO-LBPRGKRZSA-N 1 3 210.365 2.251 10 0 BEAEHO C[NH2+]Cc1cc(CN2CCCCC2)oc1C ZINC000052421191 173387108 /nfs/dbraw/zinc/38/71/08/173387108.db2.gz SRUICRTXGUYEFI-UHFFFAOYSA-N 1 3 222.332 2.293 10 0 BEAEHO COCCN(CC(C)C)[C@@H]1C[C@@H](C)CC[C@H]1[NH3+] ZINC000042368732 174287184 /nfs/dbraw/zinc/28/71/84/174287184.db2.gz VUTXUBNYPNFXCQ-BFHYXJOUSA-N 1 3 242.407 2.107 10 0 BEAEHO COc1ccccc1[C@@H](CCC[NH3+])N(C)C ZINC000019673903 175346457 /nfs/dbraw/zinc/34/64/57/175346457.db2.gz QFGODFRTBNWTRY-GFCCVEGCSA-N 1 3 222.332 2.037 10 0 BEAEHO C[C@@H]1CC(C)(C)C[N@@H+]1C[C@@H]1CCCNC1 ZINC000334854426 176051096 /nfs/dbraw/zinc/05/10/96/176051096.db2.gz MXRGYIRBIBGOLL-VXGBXAGGSA-N 1 3 210.365 2.106 10 0 BEAEHO C[C@@H]1CC(C)(C)C[N@H+]1C[C@@H]1CCCNC1 ZINC000334854426 176051097 /nfs/dbraw/zinc/05/10/97/176051097.db2.gz MXRGYIRBIBGOLL-VXGBXAGGSA-N 1 3 210.365 2.106 10 0 BEAEHO C[C@@H]1CC[C@H](CN)C[N@@H+]1CCc1ccccc1 ZINC000042427368 176224122 /nfs/dbraw/zinc/22/41/22/176224122.db2.gz SHIOOIDCYVGEGV-UKRRQHHQSA-N 1 3 232.371 2.288 10 0 BEAEHO C[C@@H]1CC[C@H](CN)C[N@H+]1CCc1ccccc1 ZINC000042427368 176224124 /nfs/dbraw/zinc/22/41/24/176224124.db2.gz SHIOOIDCYVGEGV-UKRRQHHQSA-N 1 3 232.371 2.288 10 0 BEAEHO C[C@@H]1CC[C@H](C[NH3+])CN1CCc1ccccc1 ZINC000042427368 176224125 /nfs/dbraw/zinc/22/41/25/176224125.db2.gz SHIOOIDCYVGEGV-UKRRQHHQSA-N 1 3 232.371 2.288 10 0 BEAEHO C[C@@H]1C[NH2+][C@H](c2cccc(OCCN(C)C)c2)C1 ZINC000003705164 176331132 /nfs/dbraw/zinc/33/11/32/176331132.db2.gz CSDMOHBAUMDQQY-WFASDCNBSA-N 1 3 248.370 2.298 10 0 BEAEHO C[C@@H]1C[C@@H](C)C[NH+](C[C@@H]2CCC[C@@H]2N)C1 ZINC000053860471 176361755 /nfs/dbraw/zinc/36/17/55/176361755.db2.gz JCMILBPCTUUGHV-NDBYEHHHSA-N 1 3 210.365 2.092 10 0 BEAEHO C[C@@H]1C[C@@H](C)C[NH+](Cc2cc(CN)co2)C1 ZINC000052420759 176362116 /nfs/dbraw/zinc/36/21/16/176362116.db2.gz SXKUSLNGRVOAEM-GHMZBOCLSA-N 1 3 222.332 2.216 10 0 BEAEHO C[C@H]1CCCCN1Cc1ccc(C(N)=[NH2+])cc1F ZINC000019480605 177076114 /nfs/dbraw/zinc/07/61/14/177076114.db2.gz HFGQBOPDJPMFRX-JTQLQIEISA-N 1 3 249.333 2.484 10 0 BEAEHO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1cc(CN)co1 ZINC000052373393 177100514 /nfs/dbraw/zinc/10/05/14/177100514.db2.gz MNVKJJMTJIJLCW-WDEREUQCSA-N 1 3 222.332 2.359 10 0 BEAEHO C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1cc(CN)co1 ZINC000052373393 177100515 /nfs/dbraw/zinc/10/05/15/177100515.db2.gz MNVKJJMTJIJLCW-WDEREUQCSA-N 1 3 222.332 2.359 10 0 BEAEHO C[C@H]1CCCN(Cc2ccccc2C(N)=[NH2+])C1 ZINC000019482601 177102599 /nfs/dbraw/zinc/10/25/99/177102599.db2.gz PGAUOVSCCGOQKZ-NSHDSACASA-N 1 3 231.343 2.203 10 0 BEAEHO C[C@H]1CCC[C@H](C)C1[NH+]1CCC(N)CC1 ZINC000034958705 177129523 /nfs/dbraw/zinc/12/95/23/177129523.db2.gz TZUKKZHRDAMJLN-QWRGUYRKSA-N 1 3 210.365 2.234 10 0 BEAEHO C[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1occc1CN ZINC000052509995 177168808 /nfs/dbraw/zinc/16/88/08/177168808.db2.gz LYNDXDOLHBKPAN-WDEREUQCSA-N 1 3 222.332 2.359 10 0 BEAEHO C[C@@H]1C[C@@H](C)CC[N@H+]1Cc1occc1CN ZINC000052509995 177168811 /nfs/dbraw/zinc/16/88/11/177168811.db2.gz LYNDXDOLHBKPAN-WDEREUQCSA-N 1 3 222.332 2.359 10 0 BEAEHO C[C@H]1C[N@@H+](C2(C)CCCCC2)CC[C@@H]1N ZINC000045046028 177240777 /nfs/dbraw/zinc/24/07/77/177240777.db2.gz IENSCRYGFMSYRS-RYUDHWBXSA-N 1 3 210.365 2.378 10 0 BEAEHO C[C@H]1C[N@H+](C2(C)CCCCC2)CC[C@@H]1N ZINC000045046028 177240779 /nfs/dbraw/zinc/24/07/79/177240779.db2.gz IENSCRYGFMSYRS-RYUDHWBXSA-N 1 3 210.365 2.378 10 0 BEAEHO C[C@H]1CNCC[N@H+](CCCc2ccccc2)C1 ZINC000049662215 177282518 /nfs/dbraw/zinc/28/25/18/177282518.db2.gz TVIDWWTYUFPIQP-AWEZNQCLSA-N 1 3 232.371 2.161 10 0 BEAEHO C[C@H]1CNCC[N@@H+](CCCc2ccccc2)C1 ZINC000049662215 177282519 /nfs/dbraw/zinc/28/25/19/177282519.db2.gz TVIDWWTYUFPIQP-AWEZNQCLSA-N 1 3 232.371 2.161 10 0 BEAEHO C[C@H]1C[NH2+]C[C@H](C)CN(CCc2ccccc2)C1 ZINC000049664784 177285243 /nfs/dbraw/zinc/28/52/43/177285243.db2.gz ZLVXTJRIKIOLQQ-GJZGRUSLSA-N 1 3 246.398 2.407 10 0 BEAEHO C[C@H]1CNC[C@H](C)C[NH+](CCc2ccccc2)C1 ZINC000049664784 177285244 /nfs/dbraw/zinc/28/52/44/177285244.db2.gz ZLVXTJRIKIOLQQ-GJZGRUSLSA-N 1 3 246.398 2.407 10 0 BEAEHO C[C@H]1CNC[C@H](C)C[NH+](C2CCCC2)C1 ZINC000049664908 177285384 /nfs/dbraw/zinc/28/53/84/177285384.db2.gz WGLNXLUHZJMZDZ-RYUDHWBXSA-N 1 3 210.365 2.106 10 0 BEAEHO C[C@@H]1CN(Cc2ccccc2)[C@@H](C)C[C@H]1[NH3+] ZINC000068592727 177326975 /nfs/dbraw/zinc/32/69/75/177326975.db2.gz NJDHZADSNKQAJW-MBNYWOFBSA-N 1 3 218.344 2.244 10 0 BEAEHO Cc1[nH]c2ccccc2c1CN1CC[C@@H](C[NH3+])C1 ZINC000050245475 177514783 /nfs/dbraw/zinc/51/47/83/177514783.db2.gz DCNUYUVYONCGTN-LBPRGKRZSA-N 1 3 243.354 2.257 10 0 BEAEHO C[C@H](CCC1CC1)[NH2+][C@H]1CCC[C@H]1CN ZINC000398074226 262714212 /nfs/dbraw/zinc/71/42/12/262714212.db2.gz KKKPFGNLGQAELN-WXHSDQCUSA-N 1 3 210.365 2.282 10 0 BEAEHO C[C@H](Cc1cccs1)[NH2+][C@H]1CCC[C@H]1CN ZINC000251796049 487797871 /nfs/dbraw/zinc/79/78/71/487797871.db2.gz XEWVDQRFHJEKEU-MDZLAQPJSA-N 1 3 238.400 2.396 10 0 BEAEHO CC(C)CSCCN[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000562959591 323035297 /nfs/dbraw/zinc/03/52/97/323035297.db2.gz KUAHTPVJSGXZOO-QWHCGFSZSA-N 1 3 244.448 2.353 10 0 BEAEHO CC(C)CSCC[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000562959591 323035298 /nfs/dbraw/zinc/03/52/98/323035298.db2.gz KUAHTPVJSGXZOO-QWHCGFSZSA-N 1 3 244.448 2.353 10 0 BEAEHO CCSCCC[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000570624405 323064808 /nfs/dbraw/zinc/06/48/08/323064808.db2.gz LYDOXDGNPSHXNS-RYUDHWBXSA-N 1 3 230.421 2.107 10 0 BEAEHO C1=CC[C@@H](CC[NH2+][C@@H]2CCCNCC2)CC1 ZINC000530218259 324535776 /nfs/dbraw/zinc/53/57/76/324535776.db2.gz KYJILYARMYOTIU-ZIAGYGMSSA-N 1 3 222.376 2.465 10 0 BEAEHO COC[C@H](C)C[NH2+]CCCN1CCCC[C@H]1C ZINC000131682431 325177012 /nfs/dbraw/zinc/17/70/12/325177012.db2.gz NGGHXHZUPPIFAV-ZIAGYGMSSA-N 1 3 242.407 2.123 10 0 BEAEHO C[C@H]([NH2+]C[C@@H]1CC1(C)C)[C@@H]1CCCNC1 ZINC000567579841 326221749 /nfs/dbraw/zinc/22/17/49/326221749.db2.gz KLNKPRACJOQONU-TUAOUCFPSA-N 1 3 210.365 2.010 10 0 BEAEHO C[C@H]([NH2+]CCCC(F)(F)F)[C@@H]1CCCNC1 ZINC000567645828 326237937 /nfs/dbraw/zinc/23/79/37/326237937.db2.gz AUCGHNNWGBKXIZ-VHSXEESVSA-N 1 3 238.297 2.307 10 0 BEAEHO C[C@H](Cc1ccsc1)[NH2+][C@@H]1CCC[C@@H]1CN ZINC000084220734 488038863 /nfs/dbraw/zinc/03/88/63/488038863.db2.gz MUNGLKRJUGMNFX-RAIGVLPGSA-N 1 3 238.400 2.396 10 0 BEAEHO C[C@H]1CN(CCC(C)(C)C2CC2)C[C@H]1[NH3+] ZINC000405955619 487497589 /nfs/dbraw/zinc/49/75/89/487497589.db2.gz KGCOENBVLGRLOC-CMPLNLGQSA-N 1 3 210.365 2.092 10 0 BEAEHO C[C@@H]([NH3+])CCNCC(C)(C)c1ccccc1 ZINC000258840831 488138310 /nfs/dbraw/zinc/13/83/10/488138310.db2.gz WCYRLPRCKNYLLK-GFCCVEGCSA-N 1 3 220.360 2.291 10 0 BEAEHO C[C@@H](N)CC[NH2+]CC(C)(C)c1ccccc1 ZINC000258840831 488138314 /nfs/dbraw/zinc/13/83/14/488138314.db2.gz WCYRLPRCKNYLLK-GFCCVEGCSA-N 1 3 220.360 2.291 10 0 BEAEHO C[C@H](C[NH3+])CNc1ccnc2ccccc21 ZINC000083387598 490229567 /nfs/dbraw/zinc/22/95/67/490229567.db2.gz LZVCOJLKRDQWIC-SNVBAGLBSA-N 1 3 215.300 2.242 10 0 BEAEHO C[C@@H]1CC[N@H+](Cc2cccc3c2CCNC3)C1 ZINC000123915343 490269988 /nfs/dbraw/zinc/26/99/88/490269988.db2.gz GUIOVURNPKBSCV-GFCCVEGCSA-N 1 3 230.355 2.174 10 0 BEAEHO C[C@@H]1CC[N@@H+](Cc2cccc3c2CCNC3)C1 ZINC000123915343 490269997 /nfs/dbraw/zinc/26/99/97/490269997.db2.gz GUIOVURNPKBSCV-GFCCVEGCSA-N 1 3 230.355 2.174 10 0 BEAEHO CCC(CC)C[NH2+]CC[C@@H](N)C(C)C ZINC000130419477 490385064 /nfs/dbraw/zinc/38/50/64/490385064.db2.gz IAYFZZWJWRPWBU-GFCCVEGCSA-N 1 3 200.370 2.386 10 0 BEAEHO C[N@@H+](Cc1cccc2c1CCNC2)CC1CC1 ZINC000123910770 491121143 /nfs/dbraw/zinc/12/11/43/491121143.db2.gz ZSYGPKPZGFCUES-UHFFFAOYSA-N 1 3 230.355 2.174 10 0 BEAEHO C[N@H+](Cc1cccc2c1CCNC2)CC1CC1 ZINC000123910770 491121144 /nfs/dbraw/zinc/12/11/44/491121144.db2.gz ZSYGPKPZGFCUES-UHFFFAOYSA-N 1 3 230.355 2.174 10 0 BEAEHO C[C@H]1CCC[N@@H+]1Cc1cccc2c1CCNC2 ZINC000123910058 491121168 /nfs/dbraw/zinc/12/11/68/491121168.db2.gz KAPBVEGJVGKBKW-LBPRGKRZSA-N 1 3 230.355 2.317 10 0 BEAEHO C[C@H]1CCC[N@H+]1Cc1cccc2c1CCNC2 ZINC000123910058 491121169 /nfs/dbraw/zinc/12/11/69/491121169.db2.gz KAPBVEGJVGKBKW-LBPRGKRZSA-N 1 3 230.355 2.317 10 0 BEAEHO CCCCN1CCC[C@]12C[NH2+]C[C@H](C)C2 ZINC000757126541 582501308 /nfs/dbraw/zinc/50/13/08/582501308.db2.gz GCLUMCHJSSWNID-OLZOCXBDSA-N 1 3 210.365 2.251 10 0 BEAEHO CCCC[N@@H+]1CCC[C@]12CNC[C@H](C)C2 ZINC000757126541 582501309 /nfs/dbraw/zinc/50/13/09/582501309.db2.gz GCLUMCHJSSWNID-OLZOCXBDSA-N 1 3 210.365 2.251 10 0 BEAEHO CCCC[N@H+]1CCC[C@]12CNC[C@H](C)C2 ZINC000757126541 582501312 /nfs/dbraw/zinc/50/13/12/582501312.db2.gz GCLUMCHJSSWNID-OLZOCXBDSA-N 1 3 210.365 2.251 10 0 BEAEHO C[C@@H]1C[C@H](C)[C@@H](C[NH3+])[C@H](c2ccccc2)N1 ZINC000757218685 582563883 /nfs/dbraw/zinc/56/38/83/582563883.db2.gz WQSPSONBJHHWCN-UNJBNNCHSA-N 1 3 218.344 2.321 10 0 BEAEHO CCCCN1CC[C@H]([NH2+]C2CC2)C[C@H]1C ZINC000252475091 520597023 /nfs/dbraw/zinc/59/70/23/520597023.db2.gz SMBBDDCAEVIFFW-YPMHNXCESA-N 1 3 210.365 2.391 10 0 BEAEHO CCCC[N@@H+]1CC[C@H](NC2CC2)C[C@H]1C ZINC000252475091 520597029 /nfs/dbraw/zinc/59/70/29/520597029.db2.gz SMBBDDCAEVIFFW-YPMHNXCESA-N 1 3 210.365 2.391 10 0 BEAEHO CCCC[N@H+]1CC[C@H](NC2CC2)C[C@H]1C ZINC000252475091 520597035 /nfs/dbraw/zinc/59/70/35/520597035.db2.gz SMBBDDCAEVIFFW-YPMHNXCESA-N 1 3 210.365 2.391 10 0 BEAEHO C[C@@H]1[C@@H](N)[C@@H](C)[C@H](C)C[N@@H+]1Cc1ccccc1 ZINC000238854021 525663598 /nfs/dbraw/zinc/66/35/98/525663598.db2.gz MCYADVOUXKSBRH-COMQUAJESA-N 1 3 232.371 2.490 10 0 BEAEHO C[C@@H]1[C@@H](N)[C@@H](C)[C@H](C)C[N@H+]1Cc1ccccc1 ZINC000238854021 525663607 /nfs/dbraw/zinc/66/36/07/525663607.db2.gz MCYADVOUXKSBRH-COMQUAJESA-N 1 3 232.371 2.490 10 0 BEAEHO CCCCN1CCC[C@@]12C[NH2+]C[C@H](C)C2 ZINC000757126536 582501496 /nfs/dbraw/zinc/50/14/96/582501496.db2.gz GCLUMCHJSSWNID-CHWSQXEVSA-N 1 3 210.365 2.251 10 0 BEAEHO CCCC[N@@H+]1CCC[C@@]12CNC[C@H](C)C2 ZINC000757126536 582501498 /nfs/dbraw/zinc/50/14/98/582501498.db2.gz GCLUMCHJSSWNID-CHWSQXEVSA-N 1 3 210.365 2.251 10 0 BEAEHO CCCC[N@H+]1CCC[C@@]12CNC[C@H](C)C2 ZINC000757126536 582501500 /nfs/dbraw/zinc/50/15/00/582501500.db2.gz GCLUMCHJSSWNID-CHWSQXEVSA-N 1 3 210.365 2.251 10 0 BEAEHO C[C@@H]1C[NH2+]C[C@]2(CCCN2CCC2CC2)C1 ZINC000757128204 582503376 /nfs/dbraw/zinc/50/33/76/582503376.db2.gz JMVFACMNFOHGFJ-JSGCOSHPSA-N 1 3 222.376 2.251 10 0 BEAEHO C[C@@H]1CNC[C@]2(CCC[N@@H+]2CCC2CC2)C1 ZINC000757128204 582503377 /nfs/dbraw/zinc/50/33/77/582503377.db2.gz JMVFACMNFOHGFJ-JSGCOSHPSA-N 1 3 222.376 2.251 10 0 BEAEHO C[C@@H]1CNC[C@]2(CCC[N@H+]2CCC2CC2)C1 ZINC000757128204 582503378 /nfs/dbraw/zinc/50/33/78/582503378.db2.gz JMVFACMNFOHGFJ-JSGCOSHPSA-N 1 3 222.376 2.251 10 0 BEAEHO CC[C@H]1CC[NH2+]C2(CCN(CC(C)C)CC2)O1 ZINC000757138981 582518648 /nfs/dbraw/zinc/51/86/48/582518648.db2.gz DWKNFBGVOFRFOG-ZDUSSCGKSA-N 1 3 240.391 2.223 10 0 BEAEHO CN1CCC2(CC1)[NH2+]C1(CCCCC1)CCO2 ZINC000757151185 582535459 /nfs/dbraw/zinc/53/54/59/582535459.db2.gz QBMJSXOZHYIETH-UHFFFAOYSA-N 1 3 238.375 2.121 10 0 BEAEHO CCOCCC[N@@H+]1CCC[C@]12CCCN[C@@H]2C ZINC000757123990 586426055 /nfs/dbraw/zinc/42/60/55/586426055.db2.gz BELULRICDQELPM-KGLIPLIRSA-N 1 3 240.391 2.020 10 0 BEAEHO CCOCCC[N@H+]1CCC[C@]12CCCN[C@@H]2C ZINC000757123990 586426057 /nfs/dbraw/zinc/42/60/57/586426057.db2.gz BELULRICDQELPM-KGLIPLIRSA-N 1 3 240.391 2.020 10 0 BEAEHO C[C@@H](C1CCC1)[N@@H+]1CCCC12CCNCC2 ZINC000757134951 586427069 /nfs/dbraw/zinc/42/70/69/586427069.db2.gz XMVSXJASBRFZMI-LBPRGKRZSA-N 1 3 222.376 2.393 10 0 BEAEHO C[C@@H](C1CCC1)[N@H+]1CCCC12CCNCC2 ZINC000757134951 586427070 /nfs/dbraw/zinc/42/70/70/586427070.db2.gz XMVSXJASBRFZMI-LBPRGKRZSA-N 1 3 222.376 2.393 10 0 BEAEHO C[C@@H]1[NH2+][C@H](c2cccc3cc[nH]c32)CC[C@H]1N ZINC000757218273 586441571 /nfs/dbraw/zinc/44/15/71/586441571.db2.gz UUIAZCQENYZUNX-BIMULSAOSA-N 1 3 229.327 2.308 10 0 BEAEHO C[C@@H]1C[C@@H](N)C[NH2+][C@@H]1c1cccc2cc[nH]c21 ZINC000757218284 586441923 /nfs/dbraw/zinc/44/19/23/586441923.db2.gz UVPNDTQWTUYJTK-XWIASGKRSA-N 1 3 229.327 2.166 10 0 BEAEHO [NH3+]C[C@@H]1CC[C@H](c2cccc3cc[nH]c32)NC1 ZINC000757220392 586442358 /nfs/dbraw/zinc/44/23/58/586442358.db2.gz YYVNISUQRPKWES-GXFFZTMASA-N 1 3 229.327 2.167 10 0 BEAEHO [NH3+][C@@H]1CCNC[C@H]1c1cscc1C(F)F ZINC000757234730 586443038 /nfs/dbraw/zinc/44/30/38/586443038.db2.gz LUIPONUDDQMSTF-IMTBSYHQSA-N 1 3 232.299 2.090 10 0 BEAEHO N[C@@H]1CC[NH2+]C[C@H]1c1cscc1C(F)F ZINC000757234730 586443040 /nfs/dbraw/zinc/44/30/40/586443040.db2.gz LUIPONUDDQMSTF-IMTBSYHQSA-N 1 3 232.299 2.090 10 0 BEAEHO [NH3+]C[C@H]1CNC[C@H](c2cscc2C(F)F)C1 ZINC000757237015 586443841 /nfs/dbraw/zinc/44/38/41/586443841.db2.gz PCLCTBSNIHTMNJ-JGVFFNPUSA-N 1 3 246.326 2.338 10 0 BEAEHO NC[C@H]1C[NH2+]C[C@H](c2cscc2C(F)F)C1 ZINC000757237015 586443842 /nfs/dbraw/zinc/44/38/42/586443842.db2.gz PCLCTBSNIHTMNJ-JGVFFNPUSA-N 1 3 246.326 2.338 10 0 BEAEHO CSC1(C[NH2+]C2CCNCC2)CCCCC1 ZINC000235220877 635568687 /nfs/dbraw/zinc/56/86/87/635568687.db2.gz BAOSPAWFKONAEH-UHFFFAOYSA-N 1 3 242.432 2.394 10 0 BEAEHO CC[C@H](N[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)C(C)C ZINC000328572140 633778258 /nfs/dbraw/zinc/77/82/58/633778258.db2.gz UFFRBOJIUIGXHE-VZKILSJISA-N 1 3 222.376 2.007 10 0 BEAEHO CC[C@H](C)[N@@H+]1CCC[C@@]12CNC[C@@H](C)C2 ZINC000757132755 643257907 /nfs/dbraw/zinc/25/79/07/643257907.db2.gz RRODXZYTRSHGBL-RWMBFGLXSA-N 1 3 210.365 2.249 10 0 BEAEHO CC[C@H](C)[N@H+]1CCC[C@@]12CNC[C@@H](C)C2 ZINC000757132755 643257910 /nfs/dbraw/zinc/25/79/10/643257910.db2.gz RRODXZYTRSHGBL-RWMBFGLXSA-N 1 3 210.365 2.249 10 0 BEAEHO CC[C@H](C)N1CCC[C@@]12C[NH2+]C[C@@H](C)C2 ZINC000757132755 643257914 /nfs/dbraw/zinc/25/79/14/643257914.db2.gz RRODXZYTRSHGBL-RWMBFGLXSA-N 1 3 210.365 2.249 10 0 BEAEHO C[C@H](C1CCC1)N1CCC[C@@]12CC[NH2+]C2 ZINC000757135980 643277637 /nfs/dbraw/zinc/27/76/37/643277637.db2.gz XACUXOUIISFKRV-YPMHNXCESA-N 1 3 208.349 2.003 10 0 BEAEHO C[C@@H]1CCN(CCC[NH2+]C2CC2)[C@H](C)C1 ZINC000051746334 643325671 /nfs/dbraw/zinc/32/56/71/643325671.db2.gz KHIKIQKNWPXPSX-VXGBXAGGSA-N 1 3 210.365 2.249 10 0 BEAEHO C[C@@H]1CC[N@H+](CCCNC2CC2)[C@H](C)C1 ZINC000051746334 643325678 /nfs/dbraw/zinc/32/56/78/643325678.db2.gz KHIKIQKNWPXPSX-VXGBXAGGSA-N 1 3 210.365 2.249 10 0 BEAEHO C[C@@H]1CC[N@@H+](CCCNC2CC2)[C@H](C)C1 ZINC000051746334 643325682 /nfs/dbraw/zinc/32/56/82/643325682.db2.gz KHIKIQKNWPXPSX-VXGBXAGGSA-N 1 3 210.365 2.249 10 0 BEAEHO CCC[C@@H]1CCOC2(CC[NH+](C3CC3)CC2)N1 ZINC000757149687 643336571 /nfs/dbraw/zinc/33/65/71/643336571.db2.gz WSGHZVIRVSLDIS-GFCCVEGCSA-N 1 3 238.375 2.120 10 0 BEAEHO CCC[C@@H](C)C[NH2+]C[C@H]1CCN(CC)C1 ZINC000037484262 712650694 /nfs/dbraw/zinc/65/06/94/712650694.db2.gz VUNBDXXBGGGNBL-CHWSQXEVSA-N 1 3 212.381 2.354 10 0 BEAEHO CC(C)[C@H](C)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000709855609 712229739 /nfs/dbraw/zinc/22/97/39/712229739.db2.gz RMBZKCPFGUCQMB-IVZWLZJFSA-N 1 3 238.297 2.100 10 0 BEAEHO CSC1CCC(C[NH2+]C2CCNCC2)CC1 ZINC000720558306 712850712 /nfs/dbraw/zinc/85/07/12/712850712.db2.gz QSUKQQKTHPOUAX-UHFFFAOYSA-N 1 3 242.432 2.250 10 0 BEAEHO CCC(CC)(C[NH3+])CN(CCOC)CC(C)C ZINC000051251277 168323027 /nfs/dbraw/zinc/32/30/27/168323027.db2.gz ZYVZZLPWFZGJQV-UHFFFAOYSA-N 1 3 244.423 2.356 10 0 BEAEHO CCC(CC)(C[NH2+]C)CN(C)C1CCOCC1 ZINC000051218289 168325143 /nfs/dbraw/zinc/32/51/43/168325143.db2.gz AGKHSWNGGYKVRM-UHFFFAOYSA-N 1 3 242.407 2.123 10 0 BEAEHO CCC(CC)(CNC)C[N@H+](C)C1CCOCC1 ZINC000051218289 168325145 /nfs/dbraw/zinc/32/51/45/168325145.db2.gz AGKHSWNGGYKVRM-UHFFFAOYSA-N 1 3 242.407 2.123 10 0 BEAEHO CCC(CC)(CNC)C[N@@H+](C)C1CCOCC1 ZINC000051218289 168325147 /nfs/dbraw/zinc/32/51/47/168325147.db2.gz AGKHSWNGGYKVRM-UHFFFAOYSA-N 1 3 242.407 2.123 10 0 BEAEHO CCC(CC)(C[NH2+]C)CN1CCCO[C@@H](C)C1 ZINC000061934232 168325517 /nfs/dbraw/zinc/32/55/17/168325517.db2.gz MMLJKOXVEYPYSH-ZDUSSCGKSA-N 1 3 242.407 2.123 10 0 BEAEHO Cc1cc(C[NH2+]C[C@@H]2CCN(C)C2)c(C)s1 ZINC000049686694 178021877 /nfs/dbraw/zinc/02/18/77/178021877.db2.gz XIDDBEJZAZIJHQ-LBPRGKRZSA-N 1 3 238.400 2.406 10 0 BEAEHO [NH3+]Cc1cc(F)cc(CN2CCCCC2)c1 ZINC000162815360 538925105 /nfs/dbraw/zinc/92/51/05/538925105.db2.gz AQKIPJHEXZWDPM-UHFFFAOYSA-N 1 3 222.307 2.270 10 0 BEAEHO CCC(CC)C[N@H+]1[C@@H]2CC[C@H]1CC(N)C2 ZINC000040749295 168353828 /nfs/dbraw/zinc/35/38/28/168353828.db2.gz JCPPAAWYFVHPFN-YHWZYXNKSA-N 1 3 210.365 2.377 10 0 BEAEHO CCC(CC)C[N@@H+]1[C@@H]2CC[C@H]1CC(N)C2 ZINC000040749295 168353830 /nfs/dbraw/zinc/35/38/30/168353830.db2.gz JCPPAAWYFVHPFN-YHWZYXNKSA-N 1 3 210.365 2.377 10 0 BEAEHO C[NH2+]C[C@H]1CCN(C[C@@H]2CCCCC2(F)F)C1 ZINC000381596800 398265976 /nfs/dbraw/zinc/26/59/76/398265976.db2.gz FPLNFIPFJYBLPA-NEPJUHHUSA-N 1 3 246.345 2.353 10 0 BEAEHO C[N@H+](C[C@@H]1CCCCC1(F)F)C1CCNCC1 ZINC000381667195 398269272 /nfs/dbraw/zinc/26/92/72/398269272.db2.gz KPCPQYSMBQCZSQ-NSHDSACASA-N 1 3 246.345 2.496 10 0 BEAEHO C[N@@H+](C[C@@H]1CCCCC1(F)F)C1CCNCC1 ZINC000381667195 398269275 /nfs/dbraw/zinc/26/92/75/398269275.db2.gz KPCPQYSMBQCZSQ-NSHDSACASA-N 1 3 246.345 2.496 10 0 BEAEHO C[C@@]1(CN)CC[N@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000381690693 398269591 /nfs/dbraw/zinc/26/95/91/398269591.db2.gz NKWPOQMYGBDPDQ-NEPJUHHUSA-N 1 3 246.345 2.483 10 0 BEAEHO C[C@@]1(CN)CC[N@@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000381690693 398269593 /nfs/dbraw/zinc/26/95/93/398269593.db2.gz NKWPOQMYGBDPDQ-NEPJUHHUSA-N 1 3 246.345 2.483 10 0 BEAEHO CCC(CC)[NH+]1C[C@@H](C)CNC[C@H](C)C1 ZINC000049664939 168375721 /nfs/dbraw/zinc/37/57/21/168375721.db2.gz SZCNOSCRGHIBAZ-RYUDHWBXSA-N 1 3 212.381 2.352 10 0 BEAEHO CC[NH+](CC)[C@@H]1CCN[C@H]2CCCC[C@@H]12 ZINC000584881464 343082335 /nfs/dbraw/zinc/08/23/35/343082335.db2.gz JCGFRKQGIOOYFC-FRRDWIJNSA-N 1 3 210.365 2.249 10 0 BEAEHO CC(F)(F)C1CC[NH+](C2CCNCC2)CC1 ZINC000409429888 343806660 /nfs/dbraw/zinc/80/66/60/343806660.db2.gz PQUAMANBVGTRKV-UHFFFAOYSA-N 1 3 232.318 2.106 10 0 BEAEHO C[C@@H]1CN(C/C=C\c2ccccc2)C[C@@H]1C[NH3+] ZINC000634998230 345198117 /nfs/dbraw/zinc/19/81/17/345198117.db2.gz CITPPGOSINXVLR-DBVFPWQWSA-N 1 3 230.355 2.226 10 0 BEAEHO C[C@H]1C[N@H+](CC(C)(C)c2ccccc2)C[C@@H]1CN ZINC000634998955 345198940 /nfs/dbraw/zinc/19/89/40/345198940.db2.gz NMMOAAJGRCWMJB-KBPBESRZSA-N 1 3 246.398 2.491 10 0 BEAEHO C[C@H]1C[N@@H+](CC(C)(C)c2ccccc2)C[C@@H]1CN ZINC000634998955 345198943 /nfs/dbraw/zinc/19/89/43/345198943.db2.gz NMMOAAJGRCWMJB-KBPBESRZSA-N 1 3 246.398 2.491 10 0 BEAEHO C[C@H]1CN(CC(C)(C)c2ccccc2)C[C@@H]1C[NH3+] ZINC000634998955 345198946 /nfs/dbraw/zinc/19/89/46/345198946.db2.gz NMMOAAJGRCWMJB-KBPBESRZSA-N 1 3 246.398 2.491 10 0 BEAEHO C[C@@H]1C[N@H+](CC(C)(C)c2ccccc2)C[C@@H]1CN ZINC000634998956 345199491 /nfs/dbraw/zinc/19/94/91/345199491.db2.gz NMMOAAJGRCWMJB-KGLIPLIRSA-N 1 3 246.398 2.491 10 0 BEAEHO C[C@@H]1C[N@@H+](CC(C)(C)c2ccccc2)C[C@@H]1CN ZINC000634998956 345199494 /nfs/dbraw/zinc/19/94/94/345199494.db2.gz NMMOAAJGRCWMJB-KGLIPLIRSA-N 1 3 246.398 2.491 10 0 BEAEHO C[C@@H]1CN(CC(C)(C)c2ccccc2)C[C@@H]1C[NH3+] ZINC000634998956 345199495 /nfs/dbraw/zinc/19/94/95/345199495.db2.gz NMMOAAJGRCWMJB-KGLIPLIRSA-N 1 3 246.398 2.491 10 0 BEAEHO Cc1ccsc1CN1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000634999743 345200806 /nfs/dbraw/zinc/20/08/06/345200806.db2.gz YNWZGCQEXRIFHS-QWRGUYRKSA-N 1 3 224.373 2.083 10 0 BEAEHO Cc1ccsc1C[N@H+]1C[C@H](C)[C@@H](CN)C1 ZINC000634999743 345200809 /nfs/dbraw/zinc/20/08/09/345200809.db2.gz YNWZGCQEXRIFHS-QWRGUYRKSA-N 1 3 224.373 2.083 10 0 BEAEHO Cc1ccsc1C[N@@H+]1C[C@H](C)[C@@H](CN)C1 ZINC000634999743 345200811 /nfs/dbraw/zinc/20/08/11/345200811.db2.gz YNWZGCQEXRIFHS-QWRGUYRKSA-N 1 3 224.373 2.083 10 0 BEAEHO C[C@@H](N[C@H]1CC[C@H]([NH3+])CC1)c1ccco1 ZINC000257350889 345773238 /nfs/dbraw/zinc/77/32/38/345773238.db2.gz ATRGEZAPTSAXQR-GMTAPVOTSA-N 1 3 208.305 2.200 10 0 BEAEHO Cc1cccc(CN(C)[C@@H](C)CC[NH3+])c1 ZINC000042435694 179070588 /nfs/dbraw/zinc/07/05/88/179070588.db2.gz MNKQHHIXVUUWBW-LBPRGKRZSA-N 1 3 206.333 2.164 10 0 BEAEHO Cc1ccccc1C[N@H+]1CCNCC[C@H]1C ZINC000062609132 179273448 /nfs/dbraw/zinc/27/34/48/179273448.db2.gz VTYJGUZRDCWZLM-CYBMUJFWSA-N 1 3 218.344 2.179 10 0 BEAEHO Cc1ccccc1C[N@@H+]1CCNCC[C@H]1C ZINC000062609132 179273450 /nfs/dbraw/zinc/27/34/50/179273450.db2.gz VTYJGUZRDCWZLM-CYBMUJFWSA-N 1 3 218.344 2.179 10 0 BEAEHO Cc1ccccc1[C@@H](C)[N@@H+]1CCC[C@H](N)C1 ZINC000041027774 179318199 /nfs/dbraw/zinc/31/81/99/179318199.db2.gz MXQPEBRPOJXIHA-OLZOCXBDSA-N 1 3 218.344 2.479 10 0 BEAEHO Cc1ccccc1[C@@H](C)[N@H+]1CCC[C@H](N)C1 ZINC000041027774 179318200 /nfs/dbraw/zinc/31/82/00/179318200.db2.gz MXQPEBRPOJXIHA-OLZOCXBDSA-N 1 3 218.344 2.479 10 0 BEAEHO C[C@]1(c2ccccc2)C[C@H]2C[C@@H](N)CC[N@@H+]2C1 ZINC000256067621 349376278 /nfs/dbraw/zinc/37/62/78/349376278.db2.gz ZLFMATBIAZWSDB-ZNMIVQPWSA-N 1 3 230.355 2.140 10 0 BEAEHO C[C@]1(c2ccccc2)C[C@H]2C[C@@H](N)CC[N@H+]2C1 ZINC000256067621 349376282 /nfs/dbraw/zinc/37/62/82/349376282.db2.gz ZLFMATBIAZWSDB-ZNMIVQPWSA-N 1 3 230.355 2.140 10 0 BEAEHO CC(C)C[C@H](N)C[NH2+]Cc1cccs1 ZINC000040397566 191001521 /nfs/dbraw/zinc/00/15/21/191001521.db2.gz DXHKHZDEPZBIJT-JTQLQIEISA-N 1 3 212.362 2.211 10 0 BEAEHO C[C@]1(CN2CCC(C)(C)CC2)CC[NH2+]C1 ZINC000062912480 350562747 /nfs/dbraw/zinc/56/27/47/350562747.db2.gz QCZVPDVYKXEELL-ZDUSSCGKSA-N 1 3 210.365 2.108 10 0 BEAEHO CN1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000306824527 351132195 /nfs/dbraw/zinc/13/21/95/351132195.db2.gz USAALUUCCKLXMC-HUUCEWRRSA-N 1 3 230.355 2.070 10 0 BEAEHO CN1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000306824527 351132197 /nfs/dbraw/zinc/13/21/97/351132197.db2.gz USAALUUCCKLXMC-HUUCEWRRSA-N 1 3 230.355 2.070 10 0 BEAEHO C[NH2+]C[C@@H](CN)Cc1cccc2ccccc21 ZINC000725269310 538101451 /nfs/dbraw/zinc/10/14/51/538101451.db2.gz PRYJMKBMPWIGJT-GFCCVEGCSA-N 1 3 228.339 2.177 10 0 BEAEHO CNC[C@@H](C[NH3+])Cc1cccc2ccccc21 ZINC000725269310 538101453 /nfs/dbraw/zinc/10/14/53/538101453.db2.gz PRYJMKBMPWIGJT-GFCCVEGCSA-N 1 3 228.339 2.177 10 0 BEAEHO Cc1ccc(OCC[NH+](C)C)c(CNC2CC2)c1 ZINC000071407014 188130051 /nfs/dbraw/zinc/13/00/51/188130051.db2.gz YQOBULFZPKWYAQ-UHFFFAOYSA-N 1 3 248.370 2.187 10 0 BEAEHO NC(=[NH2+])CCCCN1CCc2ccccc2C1 ZINC000049579661 181187123 /nfs/dbraw/zinc/18/71/23/181187123.db2.gz NKGOJIABYIIOFZ-UHFFFAOYSA-N 1 3 231.343 2.151 10 0 BEAEHO CC(C)NC[C@@H]1C[NH2+]C[C@H]1C1CCCCC1 ZINC000675050918 538473282 /nfs/dbraw/zinc/47/32/82/538473282.db2.gz ALZNMCSUTJWXQE-KBPBESRZSA-N 1 3 224.392 2.400 10 0 BEAEHO CCNC[C@@H]1C[NH2+]C[C@@H]1C1CCCCC1 ZINC000675050971 538473356 /nfs/dbraw/zinc/47/33/56/538473356.db2.gz DTYKPKJKKKERNM-CHWSQXEVSA-N 1 3 210.365 2.012 10 0 BEAEHO C(NC1CC1)[C@@H]1C[NH2+]C[C@H]1C1CCCCC1 ZINC000675051645 538474727 /nfs/dbraw/zinc/47/47/27/538474727.db2.gz WEMYRRVHYCEVBU-JSGCOSHPSA-N 1 3 222.376 2.154 10 0 BEAEHO C[C@@H]1CNC[C@@H](C)C1[NH+]1CCC(C)(C)CC1 ZINC000685950806 538894512 /nfs/dbraw/zinc/89/45/12/538894512.db2.gz DJSOQFFOTXNLLN-VXGBXAGGSA-N 1 3 224.392 2.352 10 0 BEAEHO C[C@@H]1CNC[C@H](C)[C@H]1[N@@H+]1CCCC[C@H]1C ZINC000685951051 538894854 /nfs/dbraw/zinc/89/48/54/538894854.db2.gz MIQVNLQGAQUFAL-XQHKEYJVSA-N 1 3 210.365 2.105 10 0 BEAEHO C[C@@H]1CNC[C@H](C)[C@H]1[N@H+]1CCCC[C@H]1C ZINC000685951051 538894855 /nfs/dbraw/zinc/89/48/55/538894855.db2.gz MIQVNLQGAQUFAL-XQHKEYJVSA-N 1 3 210.365 2.105 10 0 BEAEHO Cc1c[nH+]ccc1N1CCCN(C2CC2)CC1 ZINC000192544633 357843644 /nfs/dbraw/zinc/84/36/44/357843644.db2.gz SFWNXKCYVUHTOY-UHFFFAOYSA-N 1 3 231.343 2.065 10 0 BEAEHO C[C@H]([NH2+][C@H]1CC12CCCC2)[C@@H]1CCCNC1 ZINC000584774181 358175077 /nfs/dbraw/zinc/17/50/77/358175077.db2.gz BOCWYSCPWRQOHD-XQQFMLRXSA-N 1 3 222.376 2.297 10 0 BEAEHO C[C@H](N[C@H]1CC12CCCC2)[C@@H]1CCC[NH2+]C1 ZINC000584774181 358175078 /nfs/dbraw/zinc/17/50/78/358175078.db2.gz BOCWYSCPWRQOHD-XQQFMLRXSA-N 1 3 222.376 2.297 10 0 BEAEHO CC[C@@H]1CC[C@@H](CC[N@H+](C)CC)N(C)C1 ZINC000584627574 358296980 /nfs/dbraw/zinc/29/69/80/358296980.db2.gz XWUGWNNMONIIBW-OLZOCXBDSA-N 1 3 212.381 2.449 10 0 BEAEHO CC[C@@H]1CC[C@@H](CC[N@@H+](C)CC)N(C)C1 ZINC000584627574 358296984 /nfs/dbraw/zinc/29/69/84/358296984.db2.gz XWUGWNNMONIIBW-OLZOCXBDSA-N 1 3 212.381 2.449 10 0 BEAEHO [NH3+][C@H]1CCN2C[C@@H](c3ccccc3F)C[C@H]2C1 ZINC000584640394 358326548 /nfs/dbraw/zinc/32/65/48/358326548.db2.gz ZHSZWBQWHWRPGN-SRVKXCTJSA-N 1 3 234.318 2.105 10 0 BEAEHO CC(C)C[C@H](CO)[NH2+][C@@H]1C[C@H](N)c2ccccc21 ZINC000132041123 358705898 /nfs/dbraw/zinc/70/58/98/358705898.db2.gz FJYHVTRNMJTIEA-BYCMXARLSA-N 1 3 248.370 2.128 10 0 BEAEHO CN1CCC[C@H]2C[N@H+](CC(C)(C)C)CC[C@H]21 ZINC000246445186 359089718 /nfs/dbraw/zinc/08/97/18/359089718.db2.gz NMUUSSWUGRSSTO-QWHCGFSZSA-N 1 3 224.392 2.449 10 0 BEAEHO CN1CCC[C@H]2C[N@@H+](CC(C)(C)C)CC[C@H]21 ZINC000246445186 359089721 /nfs/dbraw/zinc/08/97/21/359089721.db2.gz NMUUSSWUGRSSTO-QWHCGFSZSA-N 1 3 224.392 2.449 10 0 BEAEHO C[C@@H](Cc1ccccc1)[N@@H+]1CCC[C@@H](CN)C1 ZINC000257360556 359342040 /nfs/dbraw/zinc/34/20/40/359342040.db2.gz FTIJVWUYXLEMTG-ZFWWWQNUSA-N 1 3 232.371 2.288 10 0 BEAEHO C[C@@H](Cc1ccccc1)[N@H+]1CCC[C@@H](CN)C1 ZINC000257360556 359342044 /nfs/dbraw/zinc/34/20/44/359342044.db2.gz FTIJVWUYXLEMTG-ZFWWWQNUSA-N 1 3 232.371 2.288 10 0 BEAEHO C[C@@H](Cc1ccccc1)N1CCC[C@@H](C[NH3+])C1 ZINC000257360556 359342047 /nfs/dbraw/zinc/34/20/47/359342047.db2.gz FTIJVWUYXLEMTG-ZFWWWQNUSA-N 1 3 232.371 2.288 10 0 BEAEHO CC[C@H](CSC)[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000578518559 366587368 /nfs/dbraw/zinc/58/73/68/366587368.db2.gz UWEIJYYJOUKYGD-QJPTWQEYSA-N 1 3 230.421 2.106 10 0 BEAEHO CC(=[NH2+])N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000306571221 360458151 /nfs/dbraw/zinc/45/81/51/360458151.db2.gz GVHHBRRVHYGCAV-DOMZBBRYSA-N 1 3 245.370 2.484 10 0 BEAEHO CO[C@H]1CN(CC2CCCCC2)[C@](C)(C[NH3+])C1 ZINC000630362194 364082559 /nfs/dbraw/zinc/08/25/59/364082559.db2.gz OILDAAOGDVYHMR-KGLIPLIRSA-N 1 3 240.391 2.005 10 0 BEAEHO CC(C)CC[NH2+][C@@]12CCN[C@@H]1CCCC2 ZINC000725272955 541340661 /nfs/dbraw/zinc/34/06/61/541340661.db2.gz WDTFMLGJSGKQSU-OLZOCXBDSA-N 1 3 210.365 2.297 10 0 BEAEHO Cc1cc(N[C@@H]2CC[NH2+][C@H]2C)c2ccccc2n1 ZINC000630545303 364241197 /nfs/dbraw/zinc/24/11/97/364241197.db2.gz JXPXMGFVVBMIQL-WCQYABFASA-N 1 3 241.338 2.127 10 0 BEAEHO [NH3+]CCCN(Cc1cccnc1)C1CCCC1 ZINC000034960478 181379920 /nfs/dbraw/zinc/37/99/20/181379920.db2.gz FPGXUPJCXJBWTA-UHFFFAOYSA-N 1 3 233.359 2.175 10 0 BEAEHO [NH3+]CCCN[C@H]1CCc2cc(Cl)ccc21 ZINC000127405644 181383689 /nfs/dbraw/zinc/38/36/89/181383689.db2.gz UIZSDROUHDAPBK-LBPRGKRZSA-N 1 3 224.735 2.266 10 0 BEAEHO C[C@@H]1C[C@@H]([NH3+])CN1c1ccnc2ccccc21 ZINC000385175021 367805318 /nfs/dbraw/zinc/80/53/18/367805318.db2.gz GVSNNOBNBMVJQS-GHMZBOCLSA-N 1 3 227.311 2.161 10 0 BEAEHO C[C@H]1C[N@H+](CCCc2ccccc2)C[C@@H]1CN ZINC000631843099 369373133 /nfs/dbraw/zinc/37/31/33/369373133.db2.gz JGCWODWIDVAGJA-ZFWWWQNUSA-N 1 3 232.371 2.146 10 0 BEAEHO C[C@H]1C[N@@H+](CCCc2ccccc2)C[C@@H]1CN ZINC000631843099 369373134 /nfs/dbraw/zinc/37/31/34/369373134.db2.gz JGCWODWIDVAGJA-ZFWWWQNUSA-N 1 3 232.371 2.146 10 0 BEAEHO CC(C)([NH3+])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000004204176 372168199 /nfs/dbraw/zinc/16/81/99/372168199.db2.gz VKMDDONHDBJSAT-CYBMUJFWSA-N 1 3 218.344 2.246 10 0 BEAEHO Cc1ccccc1C[N@H+]1C[C@H](C)[C@@H](CN)C1 ZINC000631842689 372641492 /nfs/dbraw/zinc/64/14/92/372641492.db2.gz DNOHWCIEPPAUDF-JSGCOSHPSA-N 1 3 218.344 2.022 10 0 BEAEHO Cc1ccccc1C[N@@H+]1C[C@H](C)[C@@H](CN)C1 ZINC000631842689 372641495 /nfs/dbraw/zinc/64/14/95/372641495.db2.gz DNOHWCIEPPAUDF-JSGCOSHPSA-N 1 3 218.344 2.022 10 0 BEAEHO CCC[C@](C)(N)C[NH2+]Cc1ccccc1 ZINC000040409848 373241315 /nfs/dbraw/zinc/24/13/15/373241315.db2.gz LLKFQUGOKPIDRT-ZDUSSCGKSA-N 1 3 206.333 2.294 10 0 BEAEHO CCCN1CC[C@H]([NH2+]CC(C)C)C[C@@H]1C ZINC000073655942 169209004 /nfs/dbraw/zinc/20/90/04/169209004.db2.gz XQLAIQKDMNUQBO-STQMWFEESA-N 1 3 212.381 2.495 10 0 BEAEHO c1ccc(CN2CCC(C[NH2+]C3CC3)CC2)nc1 ZINC000053660106 183397329 /nfs/dbraw/zinc/39/73/29/183397329.db2.gz HGPTYAIKSNHWRA-UHFFFAOYSA-N 1 3 245.370 2.046 10 0 BEAEHO CCC[NH2+][C@@H]1CCN(C2CCOCC2)[C@H](C)C1 ZINC000049711434 169282322 /nfs/dbraw/zinc/28/23/22/169282322.db2.gz YWXVNLIRQVIMCJ-CHWSQXEVSA-N 1 3 240.391 2.018 10 0 BEAEHO CCCO[C@@H]1CCC[N@@H+]([C@@H]2CCCC[C@@H]2N)C1 ZINC000042421904 169312400 /nfs/dbraw/zinc/31/24/00/169312400.db2.gz FKTDTYVEWWPDFK-HZSPNIEDSA-N 1 3 240.391 2.147 10 0 BEAEHO CCCO[C@@H]1CCC[N@H+]([C@@H]2CCCC[C@@H]2N)C1 ZINC000042421904 169312401 /nfs/dbraw/zinc/31/24/01/169312401.db2.gz FKTDTYVEWWPDFK-HZSPNIEDSA-N 1 3 240.391 2.147 10 0 BEAEHO CCC[NH2+][C@H]1CCN(CC(C)C)C[C@@H]1C ZINC000049709014 169291452 /nfs/dbraw/zinc/29/14/52/169291452.db2.gz JLZDNMLZVHZDLZ-STQMWFEESA-N 1 3 212.381 2.352 10 0 BEAEHO CCCOc1ccc([C@H](C)NCCC[NH3+])cc1 ZINC000037713327 169321710 /nfs/dbraw/zinc/32/17/10/169321710.db2.gz BRJLWIICCWLYAW-LBPRGKRZSA-N 1 3 236.359 2.475 10 0 BEAEHO C[C@H]([NH2+][C@H]1CC[C@@H](N(C)C)C1)C1(C)CC1 ZINC000222736071 134334110 /nfs/dbraw/zinc/33/41/10/134334110.db2.gz IHZQTFVSGPGEBV-SDDRHHMPSA-N 1 3 210.365 2.247 10 0 BEAEHO [NH3+]C[C@H](Cc1ccc(F)cc1)[C@H]1CCCCN1 ZINC000068591159 384003267 /nfs/dbraw/zinc/00/32/67/384003267.db2.gz OCTFQZCEZPAXSY-GXTWGEPZSA-N 1 3 236.334 2.085 10 0 BEAEHO NC[C@H](Cc1ccc(F)cc1)[C@H]1CCCC[NH2+]1 ZINC000068591159 384003258 /nfs/dbraw/zinc/00/32/58/384003258.db2.gz OCTFQZCEZPAXSY-GXTWGEPZSA-N 1 3 236.334 2.085 10 0 BEAEHO C[C@H]1C[NH2+][C@@H](c2cccc(OCCN(C)C)c2)C1 ZINC000003705167 384023026 /nfs/dbraw/zinc/02/30/26/384023026.db2.gz CSDMOHBAUMDQQY-IUODEOHRSA-N 1 3 248.370 2.298 10 0 BEAEHO C[C@@H]([NH2+]CCc1cccs1)[C@H]1CCCNC1 ZINC000560966875 384429130 /nfs/dbraw/zinc/42/91/30/384429130.db2.gz XZASZKUNQJKKJF-NEPJUHHUSA-N 1 3 238.400 2.268 10 0 BEAEHO C[C@@H](NCCc1cccs1)[C@H]1CCC[NH2+]C1 ZINC000560966875 384429139 /nfs/dbraw/zinc/42/91/39/384429139.db2.gz XZASZKUNQJKKJF-NEPJUHHUSA-N 1 3 238.400 2.268 10 0 BEAEHO C[C@H](NC1CCC([NH3+])CC1)c1nccs1 ZINC000083143316 384744628 /nfs/dbraw/zinc/74/46/28/384744628.db2.gz CCEBVNAQRAWHIX-IDKOKCKLSA-N 1 3 225.361 2.064 10 0 BEAEHO C[C@@H]([NH3+])CCNCc1ccc(Cl)cc1 ZINC000258769846 384945067 /nfs/dbraw/zinc/94/50/67/384945067.db2.gz NYIAKMHSSQTVKW-SECBINFHSA-N 1 3 212.724 2.167 10 0 BEAEHO C[C@@H]1C[C@H]([NH2+][C@H]2CCNC2)CC(C)(C)C1 ZINC000414864998 385771783 /nfs/dbraw/zinc/77/17/83/385771783.db2.gz CKCDTTSOKDNWMP-WOPDTQHZSA-N 1 3 210.365 2.153 10 0 BEAEHO C[C@@H]([NH2+]C[C@@H](C)CC(F)F)[C@@H]1CCCNC1 ZINC000647801110 385810072 /nfs/dbraw/zinc/81/00/72/385810072.db2.gz OBUYLOOQRQVZKU-HBNTYKKESA-N 1 3 234.334 2.255 10 0 BEAEHO C[C@@H](C[NH2+][C@H]1CCCNCC1)CC(F)F ZINC000647801462 385811316 /nfs/dbraw/zinc/81/13/16/385811316.db2.gz WIPGMHICPNIOQZ-ZJUUUORDSA-N 1 3 220.307 2.009 10 0 BEAEHO C([NH2+][C@H]1CCCNCC1)C1(C2CC2)CCC1 ZINC000391444887 386269744 /nfs/dbraw/zinc/26/97/44/386269744.db2.gz CYOZFUWPIHWMEH-ZDUSSCGKSA-N 1 3 222.376 2.298 10 0 BEAEHO C[C@@]1(CN2CC[C@H](c3ccccc3)C2)CC[NH2+]C1 ZINC000062912330 386531970 /nfs/dbraw/zinc/53/19/70/386531970.db2.gz MNRPAPMXGASSBW-JKSUJKDBSA-N 1 3 244.382 2.476 10 0 BEAEHO CN(CC1CCCCC1)C[C@]1(C)CC[NH2+]C1 ZINC000062911742 386532620 /nfs/dbraw/zinc/53/26/20/386532620.db2.gz VANHTBOUHLOTGK-CQSZACIVSA-N 1 3 224.392 2.498 10 0 BEAEHO C[C@@H]([NH2+][C@@H](C)[C@H]1CCCNC1)C(C)(C)C ZINC000519815805 386559237 /nfs/dbraw/zinc/55/92/37/386559237.db2.gz BLXHUWNEDHVHMU-TUAOUCFPSA-N 1 3 212.381 2.399 10 0 BEAEHO C[C@@H]([NH2+]CC1CC(C)(C)C1)[C@H]1CCCNC1 ZINC000520216772 386601846 /nfs/dbraw/zinc/60/18/46/386601846.db2.gz DLYURNFPCJIEBM-YPMHNXCESA-N 1 3 224.392 2.400 10 0 BEAEHO CC[C@H]1CCCN(C[C@]2(C)CC[NH2+]C2)C1 ZINC000062911258 386654769 /nfs/dbraw/zinc/65/47/69/386654769.db2.gz JQYHFVFSXOIBRJ-QWHCGFSZSA-N 1 3 210.365 2.108 10 0 BEAEHO N[C@H](CCC[NH3+])c1c(F)cc(Cl)cc1F ZINC000575438200 387109577 /nfs/dbraw/zinc/10/95/77/387109577.db2.gz DUSSQCJOVVSHOV-SECBINFHSA-N 1 3 234.677 2.357 10 0 BEAEHO N[C@H](CCC[NH3+])c1c(F)ccc(Cl)c1F ZINC000575439064 387120978 /nfs/dbraw/zinc/12/09/78/387120978.db2.gz PDRDBSONOJJXHE-MRVPVSSYSA-N 1 3 234.677 2.357 10 0 BEAEHO Cc1ccc(F)c([C@H](N)CCC[NH3+])c1F ZINC000575439636 387125156 /nfs/dbraw/zinc/12/51/56/387125156.db2.gz SJJRFNIOUNPICB-SECBINFHSA-N 1 3 214.259 2.012 10 0 BEAEHO N[C@@H](CCCC[NH3+])c1ccc(F)c(F)c1F ZINC000575439683 387126528 /nfs/dbraw/zinc/12/65/28/387126528.db2.gz XDVODBSQHVWQQS-VIFPVBQESA-N 1 3 232.249 2.233 10 0 BEAEHO Cc1ccc(CCN[C@@H](C)[C@@H]2CCC[NH2+]C2)o1 ZINC000572474137 387188642 /nfs/dbraw/zinc/18/86/42/387188642.db2.gz WCTWXYMJIZIYDT-QWHCGFSZSA-N 1 3 236.359 2.108 10 0 BEAEHO Cc1ccc(CC[NH2+][C@@H](C)[C@@H]2CCCNC2)o1 ZINC000572474137 387188649 /nfs/dbraw/zinc/18/86/49/387188649.db2.gz WCTWXYMJIZIYDT-QWHCGFSZSA-N 1 3 236.359 2.108 10 0 BEAEHO C[C@@H](NCCC[NH3+])c1ccc(OC(F)F)cc1 ZINC000037713473 387565319 /nfs/dbraw/zinc/56/53/19/387565319.db2.gz DRTBXJAAXCIMED-SECBINFHSA-N 1 3 244.285 2.287 10 0 BEAEHO CC[C@@]1(N)CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000575562206 387700931 /nfs/dbraw/zinc/70/09/31/387700931.db2.gz ZHXPTTZXIIJRLF-TZMCWYRMSA-N 1 3 218.344 2.388 10 0 BEAEHO CC[C@@]1(N)CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000575562206 387700933 /nfs/dbraw/zinc/70/09/33/387700933.db2.gz ZHXPTTZXIIJRLF-TZMCWYRMSA-N 1 3 218.344 2.388 10 0 BEAEHO C[C@H]1[N@H+](Cc2ccccc2)CC[C@]1(N)C1CC1 ZINC000575568790 387730327 /nfs/dbraw/zinc/73/03/27/387730327.db2.gz OGUWHMQSYNAZPZ-IUODEOHRSA-N 1 3 230.355 2.388 10 0 BEAEHO C[C@H]1[N@@H+](Cc2ccccc2)CC[C@]1(N)C1CC1 ZINC000575568790 387730330 /nfs/dbraw/zinc/73/03/30/387730330.db2.gz OGUWHMQSYNAZPZ-IUODEOHRSA-N 1 3 230.355 2.388 10 0 BEAEHO C[C@H]([NH2+][C@@H]1CCN2CCC[C@@H]2C1)C1(C)CC1 ZINC000130218763 387779460 /nfs/dbraw/zinc/77/94/60/387779460.db2.gz XFXDIWCKFYAMSY-YNEHKIRRSA-N 1 3 222.376 2.391 10 0 BEAEHO CCC[C@@H]1C[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422959888 387812476 /nfs/dbraw/zinc/81/24/76/387812476.db2.gz AGZIZEOOKNUDMS-OCIKQUFWSA-N 1 3 208.349 2.048 10 0 BEAEHO C[C@H](CN[C@H](C)[C@@H]1CC[NH2+]C1)Oc1ccccc1 ZINC000422978137 387790171 /nfs/dbraw/zinc/79/01/71/387790171.db2.gz HAXGQRBKHSTUBN-MGPQQGTHSA-N 1 3 248.370 2.042 10 0 BEAEHO C[C@@H]1CN(Cc2ccccc2)[C@H](C)[C@@H](C)[C@@H]1[NH3+] ZINC000238850683 387936092 /nfs/dbraw/zinc/93/60/92/387936092.db2.gz CNGGMQNYSIBNDV-RGCMKSIDSA-N 1 3 232.371 2.490 10 0 BEAEHO Cc1cc(N[C@H](C)C[NH3+])c2ccccc2n1 ZINC000082575954 388037792 /nfs/dbraw/zinc/03/77/92/388037792.db2.gz KEGHYXOODDBYGU-SNVBAGLBSA-N 1 3 215.300 2.302 10 0 BEAEHO C[C@H]([NH2+][C@@H]1CCC[C@H]1CN)[C@@H]1CC1(C)C ZINC000397606922 388483222 /nfs/dbraw/zinc/48/32/22/388483222.db2.gz ALFFDRXXRKHJGE-FIQHERPVSA-N 1 3 210.365 2.138 10 0 BEAEHO Cc1cc(N[C@@H](C)C[NH3+])c2ccccc2n1 ZINC000082575952 388618133 /nfs/dbraw/zinc/61/81/33/388618133.db2.gz KEGHYXOODDBYGU-JTQLQIEISA-N 1 3 215.300 2.302 10 0 BEAEHO CC[NH2+][C@H](C)CNc1ccnc2ccccc21 ZINC000387441609 388581807 /nfs/dbraw/zinc/58/18/07/388581807.db2.gz KRNDWZQYIYZMBE-LLVKDONJSA-N 1 3 229.327 2.067 10 0 BEAEHO C[N@H+](CC1CC(C)(C)C1)[C@@H]1CCCNCC1 ZINC000530216678 388630652 /nfs/dbraw/zinc/63/06/52/388630652.db2.gz BUMSZMKIEFXEQN-CYBMUJFWSA-N 1 3 224.392 2.497 10 0 BEAEHO C[N@@H+](CC1CC(C)(C)C1)[C@@H]1CCCNCC1 ZINC000530216678 388630654 /nfs/dbraw/zinc/63/06/54/388630654.db2.gz BUMSZMKIEFXEQN-CYBMUJFWSA-N 1 3 224.392 2.497 10 0 BEAEHO C[C@H]([NH2+]C[C@@H]1CCCCS1)[C@@H]1CCCNC1 ZINC000566090833 388987029 /nfs/dbraw/zinc/98/70/29/388987029.db2.gz DIBQBMRSTNZAHA-XQQFMLRXSA-N 1 3 242.432 2.250 10 0 BEAEHO c1cc(N2CCC[C@H](C[NH2+]C3CC3)C2)ccn1 ZINC000053702270 132363105 /nfs/dbraw/zinc/36/31/05/132363105.db2.gz PDRZXTRYMTZXEZ-GFCCVEGCSA-N 1 3 231.343 2.050 10 0 BEAEHO CC(C)[NH2+]C[C@@H]1CCCN(c2ccncc2)C1 ZINC000053701841 132363134 /nfs/dbraw/zinc/36/31/34/132363134.db2.gz ORWBSKIDXLNUKW-ZDUSSCGKSA-N 1 3 233.359 2.296 10 0 BEAEHO c1cc(N2CCC([C@@H]3CCC[NH2+]3)CC2)ccn1 ZINC000063201271 132389164 /nfs/dbraw/zinc/38/91/64/132389164.db2.gz FENSUKNVABSAKQ-AWEZNQCLSA-N 1 3 231.343 2.050 10 0 BEAEHO CC[C@H]1CCCN(C[C@@]2(C)CC[NH2+]C2)C1 ZINC000219857288 134292317 /nfs/dbraw/zinc/29/23/17/134292317.db2.gz JQYHFVFSXOIBRJ-STQMWFEESA-N 1 3 210.365 2.108 10 0 BEAEHO CC(C)(C)CCN1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261534370 135166721 /nfs/dbraw/zinc/16/67/21/135166721.db2.gz MCTDZFXENUJIFH-NSHDSACASA-N 1 3 212.381 2.482 10 0 BEAEHO C[C@@H]1CN(C[C@@H]2CCCC(F)(F)C2)CC[C@@H]1[NH3+] ZINC000261538123 135175435 /nfs/dbraw/zinc/17/54/35/135175435.db2.gz DVEGQXYBGFGWDQ-UTUOFQBUSA-N 1 3 246.345 2.481 10 0 BEAEHO CCC(CC)(CC)C[N@@H+]1CC[C@@H](CN)C1 ZINC000261575481 135216815 /nfs/dbraw/zinc/21/68/15/135216815.db2.gz JUEUJWBRPMLVNJ-LBPRGKRZSA-N 1 3 212.381 2.483 10 0 BEAEHO CCC(CC)(CC)C[N@H+]1CC[C@@H](CN)C1 ZINC000261575481 135216816 /nfs/dbraw/zinc/21/68/16/135216816.db2.gz JUEUJWBRPMLVNJ-LBPRGKRZSA-N 1 3 212.381 2.483 10 0 BEAEHO C[C@H]1C[C@@H]([NH2+]CC2CNC2)CC(C)(C)C1 ZINC000335551106 136098111 /nfs/dbraw/zinc/09/81/11/136098111.db2.gz AJBKTLSBRMRLEW-CMPLNLGQSA-N 1 3 210.365 2.010 10 0 BEAEHO CC(C)[NH2+]CCCCN1CCO[C@H]2CCC[C@@H]21 ZINC000043427996 167102838 /nfs/dbraw/zinc/10/28/38/167102838.db2.gz QGFFJJQDFVWZAI-KBPBESRZSA-N 1 3 240.391 2.018 10 0 BEAEHO Cc1ccc(CNCC[C@H](C)[NH3+])c(C)c1 ZINC000258709724 322875297 /nfs/dbraw/zinc/87/52/97/322875297.db2.gz HQQLSNLMDVJGDN-LBPRGKRZSA-N 1 3 206.333 2.130 10 0 BEAEHO [NH3+]C1CCN(C[C@H]2CCCCC2(F)F)CC1 ZINC000394507955 410617747 /nfs/dbraw/zinc/61/77/47/410617747.db2.gz LVODVGKFEBNFIV-SNVBAGLBSA-N 1 3 232.318 2.235 10 0 BEAEHO CC(C)C[NH2+]CCCCN1CCOC(C)(C)C1 ZINC000052481724 167002699 /nfs/dbraw/zinc/00/26/99/167002699.db2.gz AQBDUGVIVUQFQB-UHFFFAOYSA-N 1 3 242.407 2.123 10 0 BEAEHO CC(C)[NH2+]CCCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000052380735 167102976 /nfs/dbraw/zinc/10/29/76/167102976.db2.gz XICPORMWPNJHJG-OKILXGFUSA-N 1 3 242.407 2.264 10 0 BEAEHO CC(C)[NH2+]C[C@H]1CCCN1c1ccncc1 ZINC000053694081 167115168 /nfs/dbraw/zinc/11/51/68/167115168.db2.gz FDOSSVJMJDOCIN-CYBMUJFWSA-N 1 3 219.332 2.048 10 0 BEAEHO [NH3+]C1(CNc2ccnc3ccccc32)CCCC1 ZINC000656610207 411308774 /nfs/dbraw/zinc/30/87/74/411308774.db2.gz NOMATLKHPDCFCJ-UHFFFAOYSA-N 1 3 241.338 2.340 10 0 BEAEHO CC1CCN(Cc2cccc(C(N)=[NH2+])c2)CC1 ZINC000019802731 168184621 /nfs/dbraw/zinc/18/46/21/168184621.db2.gz QUAAAIGYBTYHFH-UHFFFAOYSA-N 1 3 231.343 2.203 10 0 BEAEHO CC1CC[NH+]([C@H]2CCCC[C@H]2CN)CC1 ZINC000037156830 168188057 /nfs/dbraw/zinc/18/80/57/168188057.db2.gz IYJQXUBLPSMLQW-STQMWFEESA-N 1 3 210.365 2.236 10 0 BEAEHO CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C(C)(C)C ZINC000054627058 170109788 /nfs/dbraw/zinc/10/97/88/170109788.db2.gz NITMSZAKTSHYSX-YOGCLGLASA-N 1 3 210.365 2.390 10 0 BEAEHO CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C(C)(C)C ZINC000054627058 170109790 /nfs/dbraw/zinc/10/97/90/170109790.db2.gz NITMSZAKTSHYSX-YOGCLGLASA-N 1 3 210.365 2.390 10 0 BEAEHO CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(C)(C)C ZINC000054627058 170109791 /nfs/dbraw/zinc/10/97/91/170109791.db2.gz NITMSZAKTSHYSX-YOGCLGLASA-N 1 3 210.365 2.390 10 0 BEAEHO CC[NH2+]CCCCCN1C[C@H](C)OC(C)(C)C1 ZINC000052543571 170111681 /nfs/dbraw/zinc/11/16/81/170111681.db2.gz TUCAILRSXKUBFT-ZDUSSCGKSA-N 1 3 242.407 2.266 10 0 BEAEHO CC[NH2+]CCCCCN1C[C@@H](C)OC(C)(C)C1 ZINC000052543572 170112067 /nfs/dbraw/zinc/11/20/67/170112067.db2.gz TUCAILRSXKUBFT-CYBMUJFWSA-N 1 3 242.407 2.266 10 0 BEAEHO CC[NH2+]CCC[C@@H](C)N(C)Cc1ccncc1 ZINC000052480980 170112782 /nfs/dbraw/zinc/11/27/82/170112782.db2.gz OVNPALFRGOAMNO-CYBMUJFWSA-N 1 3 235.375 2.292 10 0 BEAEHO CC[NH2+][C@@H]1CCC[C@@H]1CN1CCCCC1 ZINC000053862420 170150256 /nfs/dbraw/zinc/15/02/56/170150256.db2.gz OSKPUASRNJYNGX-CHWSQXEVSA-N 1 3 210.365 2.251 10 0 BEAEHO CC[NH2+][C@H]1CCCC[C@@H]1CN1CCCC1 ZINC000060720683 170166020 /nfs/dbraw/zinc/16/60/20/170166020.db2.gz VBORMLQNBVKEGY-OLZOCXBDSA-N 1 3 210.365 2.251 10 0 BEAEHO CC[NH2+][C@H]1CCN(CC2CCCC2)C[C@@H]1C ZINC000049710669 170166710 /nfs/dbraw/zinc/16/67/10/170166710.db2.gz GEOYLNODKLZZGP-JSGCOSHPSA-N 1 3 224.392 2.497 10 0 BEAEHO CCOCCN(CC)C[C@H]1CCCC[C@@H]1[NH2+]C ZINC000104192043 170394692 /nfs/dbraw/zinc/39/46/92/170394692.db2.gz JVOAQMPVTZAWJQ-KGLIPLIRSA-N 1 3 242.407 2.123 10 0 BEAEHO CC[C@@H]1CC[NH2+][C@H]1CCN1CCCCC1 ZINC000003733136 171027839 /nfs/dbraw/zinc/02/78/39/171027839.db2.gz QGECHVVAUZNJDW-OLZOCXBDSA-N 1 3 210.365 2.251 10 0 BEAEHO CC[C@@H]1[C@@H](N)CCC[N@@H+]1Cc1ccccc1 ZINC000082367975 171157708 /nfs/dbraw/zinc/15/77/08/171157708.db2.gz QYIOHZIVSUBXIY-UONOGXRCSA-N 1 3 218.344 2.388 10 0 BEAEHO CC[C@@H]1[C@@H](N)CCC[N@H+]1Cc1ccccc1 ZINC000082367975 171157710 /nfs/dbraw/zinc/15/77/10/171157710.db2.gz QYIOHZIVSUBXIY-UONOGXRCSA-N 1 3 218.344 2.388 10 0 BEAEHO CC[C@H](C)C[C@@](CC)(C[NH3+])N(C)[C@@H](C)COC ZINC000042517712 171296082 /nfs/dbraw/zinc/29/60/82/171296082.db2.gz HUWMYJKSJPFJAB-IHRRRGAJSA-N 1 3 244.423 2.497 10 0 BEAEHO CC[C@H](C)[N@H+](CCOC)CC1(N)CCCCC1 ZINC000042593251 171315123 /nfs/dbraw/zinc/31/51/23/171315123.db2.gz KCICKODOYBQDQI-ZDUSSCGKSA-N 1 3 242.407 2.395 10 0 BEAEHO CC[C@H](C)[N@@H+](CCOC)CC1(N)CCCCC1 ZINC000042593251 171315124 /nfs/dbraw/zinc/31/51/24/171315124.db2.gz KCICKODOYBQDQI-ZDUSSCGKSA-N 1 3 242.407 2.395 10 0 BEAEHO C[C@H](NCC1=CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000665274537 412217193 /nfs/dbraw/zinc/21/71/93/412217193.db2.gz SDQKOSVGJNMSPO-WCQYABFASA-N 1 3 208.349 2.074 10 0 BEAEHO CCn1ccnc1NC[C@H]([NH3+])c1ccccc1 ZINC000062838663 172227677 /nfs/dbraw/zinc/22/76/77/172227677.db2.gz GWNNVGBRWIFNQH-LBPRGKRZSA-N 1 3 230.315 2.015 10 0 BEAEHO CN1CC[C@@H](C[NH2+]Cc2ccc(Cl)s2)C1 ZINC000037484773 173115749 /nfs/dbraw/zinc/11/57/49/173115749.db2.gz PQPSGOKKSTUZJN-VIFPVBQESA-N 1 3 244.791 2.443 10 0 BEAEHO CN(C)[C@@H]1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000216039997 173117413 /nfs/dbraw/zinc/11/74/13/173117413.db2.gz DUXQDTZEIPNHRZ-ZIAGYGMSSA-N 1 3 218.344 2.036 10 0 BEAEHO CN(C)[C@@H]1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000216039997 173117416 /nfs/dbraw/zinc/11/74/16/173117416.db2.gz DUXQDTZEIPNHRZ-ZIAGYGMSSA-N 1 3 218.344 2.036 10 0 BEAEHO CN1CC[C@H](C[NH2+]Cc2cccc(Cl)c2)C1 ZINC000037484680 173146558 /nfs/dbraw/zinc/14/65/58/173146558.db2.gz FZSXLTDQEVQDQN-GFCCVEGCSA-N 1 3 238.762 2.381 10 0 BEAEHO CNC1CC[NH+](C2CCCCCC2)CC1 ZINC000037242448 173322490 /nfs/dbraw/zinc/32/24/90/173322490.db2.gz ZZBRGBXQZBKJRR-UHFFFAOYSA-N 1 3 210.365 2.393 10 0 BEAEHO C[NH2+]C1CCN(C2CCCCCC2)CC1 ZINC000037242448 173322492 /nfs/dbraw/zinc/32/24/92/173322492.db2.gz ZZBRGBXQZBKJRR-UHFFFAOYSA-N 1 3 210.365 2.393 10 0 BEAEHO C[NH2+]C1CCN(CCC2CCCC2)CC1 ZINC000037741404 173322954 /nfs/dbraw/zinc/32/29/54/173322954.db2.gz AORNOPMCXQDMIB-UHFFFAOYSA-N 1 3 210.365 2.251 10 0 BEAEHO CNC1CC[NH+](CCC2CCCC2)CC1 ZINC000037741404 173322955 /nfs/dbraw/zinc/32/29/55/173322955.db2.gz AORNOPMCXQDMIB-UHFFFAOYSA-N 1 3 210.365 2.251 10 0 BEAEHO CNC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000037255830 173323590 /nfs/dbraw/zinc/32/35/90/173323590.db2.gz WGPKQIOLQSLSIN-DGCLKSJQSA-N 1 3 210.365 2.249 10 0 BEAEHO C[NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000037255830 173323592 /nfs/dbraw/zinc/32/35/92/173323592.db2.gz WGPKQIOLQSLSIN-DGCLKSJQSA-N 1 3 210.365 2.249 10 0 BEAEHO CNC1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000037255832 173324305 /nfs/dbraw/zinc/32/43/05/173324305.db2.gz WGPKQIOLQSLSIN-WCQYABFASA-N 1 3 210.365 2.249 10 0 BEAEHO C[NH2+]C1CCN([C@@H]2CCC[C@H](C)C2)CC1 ZINC000037255832 173324306 /nfs/dbraw/zinc/32/43/06/173324306.db2.gz WGPKQIOLQSLSIN-WCQYABFASA-N 1 3 210.365 2.249 10 0 BEAEHO C[NH2+]CCCCCN1CCOc2ccccc2C1 ZINC000063013751 173345544 /nfs/dbraw/zinc/34/55/44/173345544.db2.gz PUXJVZKDAGXPDV-UHFFFAOYSA-N 1 3 248.370 2.271 10 0 BEAEHO C[NH2+]C[C@@H]1CCN([C@@H]2CCc3ccccc3C2)C1 ZINC000053034946 173370305 /nfs/dbraw/zinc/37/03/05/173370305.db2.gz WSQPYFXMOIBRBU-XJKSGUPXSA-N 1 3 244.382 2.085 10 0 BEAEHO CNC[C@@H]1CC[N@@H+]([C@@H]2CCc3ccccc3C2)C1 ZINC000053034946 173370307 /nfs/dbraw/zinc/37/03/07/173370307.db2.gz WSQPYFXMOIBRBU-XJKSGUPXSA-N 1 3 244.382 2.085 10 0 BEAEHO CNC[C@@H]1CC[N@H+]([C@@H]2CCc3ccccc3C2)C1 ZINC000053034946 173370309 /nfs/dbraw/zinc/37/03/09/173370309.db2.gz WSQPYFXMOIBRBU-XJKSGUPXSA-N 1 3 244.382 2.085 10 0 BEAEHO C[NH2+][C@@H]1CCCCC[C@@H]1CN1CCCC1 ZINC000053861125 173431557 /nfs/dbraw/zinc/43/15/57/173431557.db2.gz HUXOVVVLOQTASU-CHWSQXEVSA-N 1 3 210.365 2.251 10 0 BEAEHO COC1CC[NH+]([C@H]2CCCCC[C@H]2CN)CC1 ZINC000037265714 174029554 /nfs/dbraw/zinc/02/95/54/174029554.db2.gz FIRASDISUBELDJ-JSGCOSHPSA-N 1 3 240.391 2.005 10 0 BEAEHO COCCCNCCC[N@H+](C)C1CCCCC1 ZINC000037901224 174246997 /nfs/dbraw/zinc/24/69/97/174246997.db2.gz LHVKTLMNYLHONL-UHFFFAOYSA-N 1 3 242.407 2.267 10 0 BEAEHO COCCCNCCC[N@@H+](C)C1CCCCC1 ZINC000037901224 174247000 /nfs/dbraw/zinc/24/70/00/174247000.db2.gz LHVKTLMNYLHONL-UHFFFAOYSA-N 1 3 242.407 2.267 10 0 BEAEHO COCCN(CC(C)C)[C@@H]1C[C@@H](C)CC[C@@H]1[NH3+] ZINC000042368726 174287821 /nfs/dbraw/zinc/28/78/21/174287821.db2.gz VUTXUBNYPNFXCQ-MELADBBJSA-N 1 3 242.407 2.107 10 0 BEAEHO COCCN(CC1([NH3+])CCCC1)[C@H](C)C1CC1 ZINC000042689302 174288303 /nfs/dbraw/zinc/28/83/03/174288303.db2.gz VRVQTBAYMABEAX-GFCCVEGCSA-N 1 3 240.391 2.005 10 0 BEAEHO COCC[N@H+](CC1(N)CCCC1)[C@H](C)C1CC1 ZINC000042689302 174288305 /nfs/dbraw/zinc/28/83/05/174288305.db2.gz VRVQTBAYMABEAX-GFCCVEGCSA-N 1 3 240.391 2.005 10 0 BEAEHO COCC[N@@H+](CC1(N)CCCC1)[C@H](C)C1CC1 ZINC000042689302 174288307 /nfs/dbraw/zinc/28/83/07/174288307.db2.gz VRVQTBAYMABEAX-GFCCVEGCSA-N 1 3 240.391 2.005 10 0 BEAEHO COCCN(CCC[NH2+]CC(C)C)CC(C)C ZINC000052508487 174291471 /nfs/dbraw/zinc/29/14/71/174291471.db2.gz XFLOTTHNGHNNAD-UHFFFAOYSA-N 1 3 244.423 2.227 10 0 BEAEHO C[C@@H](c1cccs1)N1CCC[C@@H](C[NH3+])C1 ZINC000100256841 176033850 /nfs/dbraw/zinc/03/38/50/176033850.db2.gz MIHDNGGEPCMZHF-QWRGUYRKSA-N 1 3 224.373 2.480 10 0 BEAEHO C[C@@H]1CCCCN1Cc1ccccc1C(N)=[NH2+] ZINC000019437763 176073566 /nfs/dbraw/zinc/07/35/66/176073566.db2.gz OGVXRKCJKAZMHG-LLVKDONJSA-N 1 3 231.343 2.345 10 0 BEAEHO C[C@@H]1CCCN(Cc2cccc(C(N)=[NH2+])c2)C1 ZINC000019479778 176101724 /nfs/dbraw/zinc/10/17/24/176101724.db2.gz JCGWXAHNHDWHOL-LLVKDONJSA-N 1 3 231.343 2.203 10 0 BEAEHO C[C@@H]1CC[N@@H+](C2CCCCC2)CCCN1 ZINC000049665012 176167316 /nfs/dbraw/zinc/16/73/16/176167316.db2.gz JUKNHGAMDLEYGO-GFCCVEGCSA-N 1 3 210.365 2.393 10 0 BEAEHO C[C@@H]1CC[N@H+](C2CCCCC2)CCCN1 ZINC000049665012 176167318 /nfs/dbraw/zinc/16/73/18/176167318.db2.gz JUKNHGAMDLEYGO-GFCCVEGCSA-N 1 3 210.365 2.393 10 0 BEAEHO C[C@@H]1CC[N@H+](Cc2occc2CNC2CC2)C1 ZINC000052484376 176178892 /nfs/dbraw/zinc/17/88/92/176178892.db2.gz MTWCQXHSZYEZQZ-LLVKDONJSA-N 1 3 234.343 2.373 10 0 BEAEHO C[C@@H]1CC[N@@H+](Cc2occc2CNC2CC2)C1 ZINC000052484376 176178893 /nfs/dbraw/zinc/17/88/93/176178893.db2.gz MTWCQXHSZYEZQZ-LLVKDONJSA-N 1 3 234.343 2.373 10 0 BEAEHO C[C@@H]1CC[C@H](CN)C[N@@H+]1CC1CCCC1 ZINC000042427487 176223972 /nfs/dbraw/zinc/22/39/72/176223972.db2.gz PPPDKNRTKUJMCH-DGCLKSJQSA-N 1 3 210.365 2.236 10 0 BEAEHO C[C@@H]1CC[C@H](CN)C[N@H+]1CC1CCCC1 ZINC000042427487 176223973 /nfs/dbraw/zinc/22/39/73/176223973.db2.gz PPPDKNRTKUJMCH-DGCLKSJQSA-N 1 3 210.365 2.236 10 0 BEAEHO C[C@@H]1CC[C@H](N)[C@@H](C)[N@H+]1Cc1ccccc1 ZINC000169616765 176228716 /nfs/dbraw/zinc/22/87/16/176228716.db2.gz ULXWOSFIBHNQLH-BZPMIXESSA-N 1 3 218.344 2.387 10 0 BEAEHO C[C@@H]1CC[C@H](N)[C@@H](C)[N@@H+]1Cc1ccccc1 ZINC000169616765 176228714 /nfs/dbraw/zinc/22/87/14/176228714.db2.gz ULXWOSFIBHNQLH-BZPMIXESSA-N 1 3 218.344 2.387 10 0 BEAEHO C[C@@H]1C[NH2+]CCCN(CCc2ccccc2)C1 ZINC000049664779 176323872 /nfs/dbraw/zinc/32/38/72/176323872.db2.gz CGPAJNUBNKCANU-CQSZACIVSA-N 1 3 232.371 2.161 10 0 BEAEHO C[C@@H]1CNCCC[N@H+](CCc2ccccc2)C1 ZINC000049664779 176323874 /nfs/dbraw/zinc/32/38/74/176323874.db2.gz CGPAJNUBNKCANU-CQSZACIVSA-N 1 3 232.371 2.161 10 0 BEAEHO C[C@@H]1CNCCC[N@@H+](CCc2ccccc2)C1 ZINC000049664779 176323875 /nfs/dbraw/zinc/32/38/75/176323875.db2.gz CGPAJNUBNKCANU-CQSZACIVSA-N 1 3 232.371 2.161 10 0 BEAEHO C[C@@H]1C[NH2+][C@@H](c2cccc(OCCN(C)C)c2)C1 ZINC000003705166 176330489 /nfs/dbraw/zinc/33/04/89/176330489.db2.gz CSDMOHBAUMDQQY-SWLSCSKDSA-N 1 3 248.370 2.298 10 0 BEAEHO C[C@@H]1C[NH2+][C@@H](c2ccc(OCCN(C)C)cc2)C1 ZINC000003705118 176330601 /nfs/dbraw/zinc/33/06/01/176330601.db2.gz NUAMEKJUQIMRNT-SWLSCSKDSA-N 1 3 248.370 2.298 10 0 BEAEHO C[C@H](c1cccs1)N1CC[C@H](C[NH3+])C1 ZINC000035737083 177048415 /nfs/dbraw/zinc/04/84/15/177048415.db2.gz XZDHMSCIVWBHAY-NXEZZACHSA-N 1 3 210.346 2.090 10 0 BEAEHO C[C@H]1CCCCN1CCC[NH2+]C1CCC1 ZINC000044480013 177075021 /nfs/dbraw/zinc/07/50/21/177075021.db2.gz FROZWIGFEPQNPG-LBPRGKRZSA-N 1 3 210.365 2.393 10 0 BEAEHO C[C@H]1CCCC[C@H]1C[NH+]1CCCNCCC1 ZINC000042867345 177085141 /nfs/dbraw/zinc/08/51/41/177085141.db2.gz CFOVPAXGHVIEDF-KBPBESRZSA-N 1 3 224.392 2.498 10 0 BEAEHO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1cccnc1C(=N)N ZINC000061657858 177117352 /nfs/dbraw/zinc/11/73/52/177117352.db2.gz CXIWKWIZBDVULW-PHIMTYICSA-N 1 3 246.358 2.129 10 0 BEAEHO C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1cccnc1C(=N)N ZINC000061657858 177117353 /nfs/dbraw/zinc/11/73/53/177117353.db2.gz CXIWKWIZBDVULW-PHIMTYICSA-N 1 3 246.358 2.129 10 0 BEAEHO C[C@@H]1CC[N@H+](C2CCCC2)CC[C@H](C)N1 ZINC000049664894 177157436 /nfs/dbraw/zinc/15/74/36/177157436.db2.gz CEESMZWRVLGDIL-TXEJJXNPSA-N 1 3 210.365 2.391 10 0 BEAEHO C[C@@H]1CC[N@@H+](C2CCCC2)CC[C@H](C)N1 ZINC000049664894 177157438 /nfs/dbraw/zinc/15/74/38/177157438.db2.gz CEESMZWRVLGDIL-TXEJJXNPSA-N 1 3 210.365 2.391 10 0 BEAEHO C[C@H]1C[N@H+](CC[C@@H]2CCCCN2C)CCS1 ZINC000336467905 177253862 /nfs/dbraw/zinc/25/38/62/177253862.db2.gz UKGXMDKELSLFON-STQMWFEESA-N 1 3 242.432 2.298 10 0 BEAEHO C[C@H]1C[N@@H+](CC[C@@H]2CCCCN2C)CCS1 ZINC000336467905 177253863 /nfs/dbraw/zinc/25/38/63/177253863.db2.gz UKGXMDKELSLFON-STQMWFEESA-N 1 3 242.432 2.298 10 0 BEAEHO C[C@@H](CCC[NH2+]C1CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000052380695 177274368 /nfs/dbraw/zinc/27/43/68/177274368.db2.gz HRDHGAZRFYAJFG-RWMBFGLXSA-N 1 3 240.391 2.016 10 0 BEAEHO C[C@@H]1C[N@H+]([C@]2(CN)CCCC[C@H]2C)C[C@H](C)O1 ZINC000034754805 177275988 /nfs/dbraw/zinc/27/59/88/177275988.db2.gz YYTZQACFASOKKM-MQYQWHSLSA-N 1 3 240.391 2.003 10 0 BEAEHO C[C@@H]1C[N@@H+]([C@]2(CN)CCCC[C@H]2C)C[C@H](C)O1 ZINC000034754805 177275990 /nfs/dbraw/zinc/27/59/90/177275990.db2.gz YYTZQACFASOKKM-MQYQWHSLSA-N 1 3 240.391 2.003 10 0 BEAEHO C[C@H]1CNCCC[N@H+](CC2CCCC2)C1 ZINC000049666021 177281205 /nfs/dbraw/zinc/28/12/05/177281205.db2.gz RBUMIXUHBORKJA-LBPRGKRZSA-N 1 3 210.365 2.108 10 0 BEAEHO C[C@H]1CNCCC[N@@H+](CC2CCCC2)C1 ZINC000049666021 177281206 /nfs/dbraw/zinc/28/12/06/177281206.db2.gz RBUMIXUHBORKJA-LBPRGKRZSA-N 1 3 210.365 2.108 10 0 BEAEHO C[C@H](N[C@@H](C)[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000400335427 226340977 /nfs/dbraw/zinc/34/09/77/226340977.db2.gz FFONLLMNIKRLNV-SGMGOOAPSA-N 1 3 218.344 2.335 10 0 BEAEHO CSCCCC[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000566908981 326092900 /nfs/dbraw/zinc/09/29/00/326092900.db2.gz RSTQICKOBVTMNR-VXGBXAGGSA-N 1 3 230.421 2.107 10 0 BEAEHO CC1(C)CC(C[NH2+][C@H]2CCCNCC2)C1 ZINC000567648388 326238742 /nfs/dbraw/zinc/23/87/42/326238742.db2.gz JSZPQYOVHDYFJP-LBPRGKRZSA-N 1 3 210.365 2.154 10 0 BEAEHO CC1(C)CC(C[NH2+][C@@H]2CCCNCC2)C1 ZINC000567648387 326238844 /nfs/dbraw/zinc/23/88/44/326238844.db2.gz JSZPQYOVHDYFJP-GFCCVEGCSA-N 1 3 210.365 2.154 10 0 BEAEHO CC(C)(CNC[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000258970424 488144689 /nfs/dbraw/zinc/14/46/89/488144689.db2.gz TXFZLFFAQXWIAY-ZDUSSCGKSA-N 1 3 232.371 2.163 10 0 BEAEHO C[C@@H]1CCC[N@@H+]1Cc1cccc2c1CCNC2 ZINC000123909803 491121160 /nfs/dbraw/zinc/12/11/60/491121160.db2.gz KAPBVEGJVGKBKW-GFCCVEGCSA-N 1 3 230.355 2.317 10 0 BEAEHO C[C@@H]1CCC[N@H+]1Cc1cccc2c1CCNC2 ZINC000123909803 491121162 /nfs/dbraw/zinc/12/11/62/491121162.db2.gz KAPBVEGJVGKBKW-GFCCVEGCSA-N 1 3 230.355 2.317 10 0 BEAEHO CC(C)CN1CCC[C@]12CC[C@H](C)[NH2+]C2 ZINC000757124092 582499236 /nfs/dbraw/zinc/49/92/36/582499236.db2.gz BUOKJDINPYODGE-QWHCGFSZSA-N 1 3 210.365 2.249 10 0 BEAEHO CC(C)C[N@@H+]1CCC[C@]12CC[C@H](C)NC2 ZINC000757124092 582499239 /nfs/dbraw/zinc/49/92/39/582499239.db2.gz BUOKJDINPYODGE-QWHCGFSZSA-N 1 3 210.365 2.249 10 0 BEAEHO CC(C)C[N@H+]1CCC[C@]12CC[C@H](C)NC2 ZINC000757124092 582499241 /nfs/dbraw/zinc/49/92/41/582499241.db2.gz BUOKJDINPYODGE-QWHCGFSZSA-N 1 3 210.365 2.249 10 0 BEAEHO C[C@H](C1CCC1)[N@@H+]1CCC[C@]12CCCNC2 ZINC000757126659 582501611 /nfs/dbraw/zinc/50/16/11/582501611.db2.gz GGLPYBCRSVCGPH-OCCSQVGLSA-N 1 3 222.376 2.393 10 0 BEAEHO C[C@H](C1CCC1)[N@H+]1CCC[C@]12CCCNC2 ZINC000757126659 582501612 /nfs/dbraw/zinc/50/16/12/582501612.db2.gz GGLPYBCRSVCGPH-OCCSQVGLSA-N 1 3 222.376 2.393 10 0 BEAEHO C[C@H](C1CCC1)N1CCC[C@]12CCC[NH2+]C2 ZINC000757126659 582501614 /nfs/dbraw/zinc/50/16/14/582501614.db2.gz GGLPYBCRSVCGPH-OCCSQVGLSA-N 1 3 222.376 2.393 10 0 BEAEHO CCC[N@H+]1CCCC[C@H]1[C@H]1CCCNC1 ZINC000238856334 519848365 /nfs/dbraw/zinc/84/83/65/519848365.db2.gz VQBZYKSDBIFFKV-STQMWFEESA-N 1 3 210.365 2.251 10 0 BEAEHO CCC[N@@H+]1CCCC[C@H]1[C@H]1CCCNC1 ZINC000238856334 519848364 /nfs/dbraw/zinc/84/83/64/519848364.db2.gz VQBZYKSDBIFFKV-STQMWFEESA-N 1 3 210.365 2.251 10 0 BEAEHO C[C@@H]1[C@H](C)C[N@H+](Cc2ccccc2)[C@H](C)[C@H]1N ZINC000238854020 525681076 /nfs/dbraw/zinc/68/10/76/525681076.db2.gz MCYADVOUXKSBRH-BHPKHCPMSA-N 1 3 232.371 2.490 10 0 BEAEHO C[C@@H]1[C@H](C)C[N@@H+](Cc2ccccc2)[C@H](C)[C@H]1N ZINC000238854020 525681081 /nfs/dbraw/zinc/68/10/81/525681081.db2.gz MCYADVOUXKSBRH-BHPKHCPMSA-N 1 3 232.371 2.490 10 0 BEAEHO CCCN1CCN(c2ccccc2[C@H](C)[NH3+])CC1 ZINC000019872677 534937348 /nfs/dbraw/zinc/93/73/48/534937348.db2.gz NZSFQPJYSCIPKP-ZDUSSCGKSA-N 1 3 247.386 2.238 10 0 BEAEHO CC[C@H](C)[C@H](C)[NH2+][C@H]1CC[C@H](N(C)C)C1 ZINC000252728145 535942628 /nfs/dbraw/zinc/94/26/28/535942628.db2.gz ABRHDYYCKVYWIL-CYDGBPFRSA-N 1 3 212.381 2.493 10 0 BEAEHO CC[C@H](C)[C@H](C)[NH2+][C@H]1CC[C@@H](N(C)C)C1 ZINC000252728146 535942749 /nfs/dbraw/zinc/94/27/49/535942749.db2.gz ABRHDYYCKVYWIL-ZDEQEGDKSA-N 1 3 212.381 2.493 10 0 BEAEHO C[C@H]1C[N@H+](Cc2cccc3c2CCNC3)C[C@H]1C ZINC000123997292 566284313 /nfs/dbraw/zinc/28/43/13/566284313.db2.gz CDTNBDWSYIWELP-BETUJISGSA-N 1 3 244.382 2.420 10 0 BEAEHO C[C@H]1C[N@@H+](Cc2cccc3c2CCNC3)C[C@H]1C ZINC000123997292 566284318 /nfs/dbraw/zinc/28/43/18/566284318.db2.gz CDTNBDWSYIWELP-BETUJISGSA-N 1 3 244.382 2.420 10 0 BEAEHO CC(C)C[N@@H+]1CCC[C@]12CCCN[C@@H]2C ZINC000757124302 582499547 /nfs/dbraw/zinc/49/95/47/582499547.db2.gz CFOLKHFBJXSDBV-OLZOCXBDSA-N 1 3 210.365 2.249 10 0 BEAEHO CC(C)C[N@H+]1CCC[C@]12CCCN[C@@H]2C ZINC000757124302 582499548 /nfs/dbraw/zinc/49/95/48/582499548.db2.gz CFOLKHFBJXSDBV-OLZOCXBDSA-N 1 3 210.365 2.249 10 0 BEAEHO CC(C)CN1CCC[C@]12CCC[NH2+][C@@H]2C ZINC000757124302 582499551 /nfs/dbraw/zinc/49/95/51/582499551.db2.gz CFOLKHFBJXSDBV-OLZOCXBDSA-N 1 3 210.365 2.249 10 0 BEAEHO C[C@H](C1CCC1)[N@@H+]1CCC[C@@]12CCCNC2 ZINC000757126662 582501160 /nfs/dbraw/zinc/50/11/60/582501160.db2.gz GGLPYBCRSVCGPH-TZMCWYRMSA-N 1 3 222.376 2.393 10 0 BEAEHO C[C@H](C1CCC1)[N@H+]1CCC[C@@]12CCCNC2 ZINC000757126662 582501161 /nfs/dbraw/zinc/50/11/61/582501161.db2.gz GGLPYBCRSVCGPH-TZMCWYRMSA-N 1 3 222.376 2.393 10 0 BEAEHO C[C@H](C1CCC1)N1CCC[C@@]12CCC[NH2+]C2 ZINC000757126662 582501163 /nfs/dbraw/zinc/50/11/63/582501163.db2.gz GGLPYBCRSVCGPH-TZMCWYRMSA-N 1 3 222.376 2.393 10 0 BEAEHO C[C@H](C1CC1)[N@@H+]1CCC[C@@]12CC[C@@H](C)NC2 ZINC000757126374 582501385 /nfs/dbraw/zinc/50/13/85/582501385.db2.gz FLJVLYOOVHKRJL-BZPMIXESSA-N 1 3 222.376 2.391 10 0 BEAEHO C[C@H](C1CC1)[N@H+]1CCC[C@@]12CC[C@@H](C)NC2 ZINC000757126374 582501386 /nfs/dbraw/zinc/50/13/86/582501386.db2.gz FLJVLYOOVHKRJL-BZPMIXESSA-N 1 3 222.376 2.391 10 0 BEAEHO C[C@H](C1CC1)N1CCC[C@@]12CC[C@@H](C)[NH2+]C2 ZINC000757126374 582501387 /nfs/dbraw/zinc/50/13/87/582501387.db2.gz FLJVLYOOVHKRJL-BZPMIXESSA-N 1 3 222.376 2.391 10 0 BEAEHO COCC[C@H](C)[N@@H+]1CCC[C@]12CC[C@H](C)NC2 ZINC000757129535 582504225 /nfs/dbraw/zinc/50/42/25/582504225.db2.gz LVPKSLOZKOSVLV-MELADBBJSA-N 1 3 240.391 2.018 10 0 BEAEHO COCC[C@H](C)[N@H+]1CCC[C@]12CC[C@H](C)NC2 ZINC000757129535 582504226 /nfs/dbraw/zinc/50/42/26/582504226.db2.gz LVPKSLOZKOSVLV-MELADBBJSA-N 1 3 240.391 2.018 10 0 BEAEHO C[C@@H]1C[C@H](C)[C@H](C[NH3+])[C@@H](c2ccccc2)N1 ZINC000757218697 582563189 /nfs/dbraw/zinc/56/31/89/582563189.db2.gz WQSPSONBJHHWCN-UZGDPCLZSA-N 1 3 218.344 2.321 10 0 BEAEHO CCOCCC[N@@H+]1CCC[C@]12CCCN[C@H]2C ZINC000757123983 586425976 /nfs/dbraw/zinc/42/59/76/586425976.db2.gz BELULRICDQELPM-KBPBESRZSA-N 1 3 240.391 2.020 10 0 BEAEHO CCOCCC[N@H+]1CCC[C@]12CCCN[C@H]2C ZINC000757123983 586425978 /nfs/dbraw/zinc/42/59/78/586425978.db2.gz BELULRICDQELPM-KBPBESRZSA-N 1 3 240.391 2.020 10 0 BEAEHO C[C@H]1CC[C@@]2(CCC[N@@H+]2CC2CC2)CN1 ZINC000757129704 586426200 /nfs/dbraw/zinc/42/62/00/586426200.db2.gz MUVWJIRIDRPGMR-AAEUAGOBSA-N 1 3 208.349 2.003 10 0 BEAEHO C[C@H]1CC[C@@]2(CCC[N@H+]2CC2CC2)CN1 ZINC000757129704 586426203 /nfs/dbraw/zinc/42/62/03/586426203.db2.gz MUVWJIRIDRPGMR-AAEUAGOBSA-N 1 3 208.349 2.003 10 0 BEAEHO C[C@@H]1C[C@H](C)[C@@H](C[NH3+])[C@@H](c2cccs2)N1 ZINC000757217129 586441300 /nfs/dbraw/zinc/44/13/00/586441300.db2.gz RFQVOEIUGANPQQ-XNDJQWLSSA-N 1 3 224.373 2.382 10 0 BEAEHO C[C@@H]1CC[C@H](C[NH3+])[C@H](c2ccccc2)N1 ZINC000757217415 586441620 /nfs/dbraw/zinc/44/16/20/586441620.db2.gz RTWUVJCFIAWECV-RTXFEEFZSA-N 1 3 204.317 2.075 10 0 BEAEHO C[C@@H]1C[C@H](C)[C@H](CN)[C@H](c2cccc(C=O)c2)[NH2+]1 ZINC000757217908 586441724 /nfs/dbraw/zinc/44/17/24/586441724.db2.gz TZJIIASWNBHJEX-JLUCKKNBSA-N 1 3 246.354 2.133 10 0 BEAEHO CC1(c2ccc([C@@H]3CNC[C@@H]([NH3+])C3)cc2)CC1 ZINC000757219340 586442405 /nfs/dbraw/zinc/44/24/05/586442405.db2.gz WXHSQQWXRJKALL-JSGCOSHPSA-N 1 3 230.355 2.142 10 0 BEAEHO C[C@@H]1C[NH2+]C[C@H]1CN1CCCc2ccccc2C1 ZINC000111273585 711803251 /nfs/dbraw/zinc/80/32/51/711803251.db2.gz XIBHCVOESWLMEB-CJNGLKHVSA-N 1 3 244.382 2.290 10 0 BEAEHO CC(C)[C@H](C)[N@@H+]1CC[C@@]2(C1)CCCNC2 ZINC000709867370 712230053 /nfs/dbraw/zinc/23/00/53/712230053.db2.gz JCTKZZCBSQGKTR-STQMWFEESA-N 1 3 210.365 2.106 10 0 BEAEHO CC(C)[C@H](C)[N@H+]1CC[C@@]2(C1)CCCNC2 ZINC000709867370 712230055 /nfs/dbraw/zinc/23/00/55/712230055.db2.gz JCTKZZCBSQGKTR-STQMWFEESA-N 1 3 210.365 2.106 10 0 BEAEHO C[C@@H](C[NH+]1CCCCC1)Nc1ccncc1 ZINC000049502225 1171702861 /nfs/dbraw/zinc/70/28/61/1171702861.db2.gz IIXCWAGIFABRNM-LBPRGKRZSA-N 1 3 219.332 2.368 10 0 BEAEHO c1cc(N[C@H]2CC[N@@H+]3CCCC[C@H]23)ccn1 ZINC000049568931 1171705635 /nfs/dbraw/zinc/70/56/35/1171705635.db2.gz OEWYGVRZCRTKIU-QWHCGFSZSA-N 1 3 217.316 2.120 10 0 BEAEHO c1cc(N[C@H]2CC[N@H+]3CCCC[C@H]23)ccn1 ZINC000049568931 1171705643 /nfs/dbraw/zinc/70/56/43/1171705643.db2.gz OEWYGVRZCRTKIU-QWHCGFSZSA-N 1 3 217.316 2.120 10 0 BEAEHO CSCCCCC[NH2+][C@H]1CCCNCC1 ZINC000235178708 136210763 /nfs/dbraw/zinc/21/07/63/136210763.db2.gz FVEWPZYPGZETRP-LBPRGKRZSA-N 1 3 230.421 2.251 10 0 BEAEHO CCC(CC)(C[NH2+]C)CN1CCCO[C@H](C)C1 ZINC000061934231 168325374 /nfs/dbraw/zinc/32/53/74/168325374.db2.gz MMLJKOXVEYPYSH-CYBMUJFWSA-N 1 3 242.407 2.123 10 0 BEAEHO C[C@@H]1C[C@H](CN)C[N@@H+]1C[C@H]1CCCCC1(F)F ZINC000381590219 398253956 /nfs/dbraw/zinc/25/39/56/398253956.db2.gz DIRSECRDHRRGFI-IJLUTSLNSA-N 1 3 246.345 2.481 10 0 BEAEHO C[C@@H]1C[C@H](CN)C[N@H+]1C[C@H]1CCCCC1(F)F ZINC000381590219 398253960 /nfs/dbraw/zinc/25/39/60/398253960.db2.gz DIRSECRDHRRGFI-IJLUTSLNSA-N 1 3 246.345 2.481 10 0 BEAEHO C[C@H](NCC1=CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000576742963 365672347 /nfs/dbraw/zinc/67/23/47/365672347.db2.gz MZGURPUZXBAUFC-JSGCOSHPSA-N 1 3 222.376 2.465 10 0 BEAEHO CCC(CC)N(CCOC)CC[C@@H]1CCC[NH2+]1 ZINC000042681745 168373466 /nfs/dbraw/zinc/37/34/66/168373466.db2.gz WYHAQCOTBIFSJF-ZDUSSCGKSA-N 1 3 242.407 2.266 10 0 BEAEHO CCC(CC)N(CCOC)[C@@H](CC)CC(N)=[NH2+] ZINC000042679990 168374142 /nfs/dbraw/zinc/37/41/42/168374142.db2.gz RRICVMAQMQYFQX-LBPRGKRZSA-N 1 3 243.395 2.228 10 0 BEAEHO C[C@]1(CN)CC[N@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000381690696 398269538 /nfs/dbraw/zinc/26/95/38/398269538.db2.gz NKWPOQMYGBDPDQ-VXGBXAGGSA-N 1 3 246.345 2.483 10 0 BEAEHO C[C@]1(CN)CC[N@@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000381690696 398269540 /nfs/dbraw/zinc/26/95/40/398269540.db2.gz NKWPOQMYGBDPDQ-VXGBXAGGSA-N 1 3 246.345 2.483 10 0 BEAEHO CCC(CC)[N@H+]1C[C@H](C)CNC[C@H](C)C1 ZINC000049664938 168376423 /nfs/dbraw/zinc/37/64/23/168376423.db2.gz SZCNOSCRGHIBAZ-TXEJJXNPSA-N 1 3 212.381 2.352 10 0 BEAEHO CCC(CC)[N@@H+]1C[C@H](C)CNC[C@H](C)C1 ZINC000049664938 168376424 /nfs/dbraw/zinc/37/64/24/168376424.db2.gz SZCNOSCRGHIBAZ-TXEJJXNPSA-N 1 3 212.381 2.352 10 0 BEAEHO C[C@H]1C[NH2+][C@H](c2cccc(OCCN(C)C)c2)C1 ZINC000003705165 342736964 /nfs/dbraw/zinc/73/69/64/342736964.db2.gz CSDMOHBAUMDQQY-DOMZBBRYSA-N 1 3 248.370 2.298 10 0 BEAEHO C[C@@H]1CCC[N@H+](CCCNC2CC2)[C@@H]1C ZINC000050566553 539011092 /nfs/dbraw/zinc/01/10/92/539011092.db2.gz OXFMRIAUDDFZDK-VXGBXAGGSA-N 1 3 210.365 2.249 10 0 BEAEHO C[C@@H]1CCC[N@@H+](CCCNC2CC2)[C@@H]1C ZINC000050566553 539011093 /nfs/dbraw/zinc/01/10/93/539011093.db2.gz OXFMRIAUDDFZDK-VXGBXAGGSA-N 1 3 210.365 2.249 10 0 BEAEHO C[C@@H]1CCCN(CCC[NH2+]C2CC2)[C@@H]1C ZINC000050566553 539011094 /nfs/dbraw/zinc/01/10/94/539011094.db2.gz OXFMRIAUDDFZDK-VXGBXAGGSA-N 1 3 210.365 2.249 10 0 BEAEHO CC(C)CN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000038000166 398335645 /nfs/dbraw/zinc/33/56/45/398335645.db2.gz XHWZSUKNMZALAZ-STQMWFEESA-N 1 3 210.365 2.106 10 0 BEAEHO CC[C@H]1CC[C@@H](CCN2CCCC2)[NH2+]C1 ZINC000238300893 343255435 /nfs/dbraw/zinc/25/54/35/343255435.db2.gz ZNHJTBIWSIYVQQ-STQMWFEESA-N 1 3 210.365 2.251 10 0 BEAEHO C[N@H+](CCC1CCC1)[C@H]1CCCNCC1 ZINC000398722612 488223846 /nfs/dbraw/zinc/22/38/46/488223846.db2.gz QEYVRZUVDWIHLR-ZDUSSCGKSA-N 1 3 210.365 2.251 10 0 BEAEHO C[N@@H+](CCC1CCC1)[C@H]1CCCNCC1 ZINC000398722612 488223848 /nfs/dbraw/zinc/22/38/48/488223848.db2.gz QEYVRZUVDWIHLR-ZDUSSCGKSA-N 1 3 210.365 2.251 10 0 BEAEHO CC[NH2+][C@H](C)CNc1cc(C)nc2ccccc21 ZINC000387624711 346968166 /nfs/dbraw/zinc/96/81/66/346968166.db2.gz CWZGYPQSZCLZTK-GFCCVEGCSA-N 1 3 243.354 2.375 10 0 BEAEHO C[C@@H]1[C@H]2C[N@H+](C)C[C@H]2CN1Cc1ccccc1 ZINC000409431596 343823854 /nfs/dbraw/zinc/82/38/54/343823854.db2.gz RJPWPILRMFONAL-VHDGCEQUSA-N 1 3 230.355 2.069 10 0 BEAEHO C[C@@H]1[C@H]2C[N@@H+](C)C[C@H]2CN1Cc1ccccc1 ZINC000409431596 343823855 /nfs/dbraw/zinc/82/38/55/343823855.db2.gz RJPWPILRMFONAL-VHDGCEQUSA-N 1 3 230.355 2.069 10 0 BEAEHO C[NH2+]Cc1ccc(CN2CCC[C@H](OC)C2)cc1 ZINC000117575466 344747622 /nfs/dbraw/zinc/74/76/22/344747622.db2.gz JNAGYJJPVVQTEO-HNNXBMFYSA-N 1 3 248.370 2.017 10 0 BEAEHO Cc1cc(F)ccc1CN1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000634999664 345200019 /nfs/dbraw/zinc/20/00/19/345200019.db2.gz XOCUEKZOXISMEW-AAEUAGOBSA-N 1 3 236.334 2.161 10 0 BEAEHO C[C@H]([NH2+][C@H]1CCCC12CC2)[C@H]1CCCNC1 ZINC000634998032 345202908 /nfs/dbraw/zinc/20/29/08/345202908.db2.gz ZHZYUFMZEFIQQX-AVGNSLFASA-N 1 3 222.376 2.297 10 0 BEAEHO [NH3+]CCCOc1cccc(CN2CC=CCC2)c1 ZINC000034224153 345819495 /nfs/dbraw/zinc/81/94/95/345819495.db2.gz KZHFWNYETNRKCY-UHFFFAOYSA-N 1 3 246.354 2.176 10 0 BEAEHO C[C@H](N[C@H]1CC[C@H]([NH3+])CC1)c1ccco1 ZINC000257350888 345773074 /nfs/dbraw/zinc/77/30/74/345773074.db2.gz ATRGEZAPTSAXQR-DCAQKATOSA-N 1 3 208.305 2.200 10 0 BEAEHO [NH3+][C@H]1CC[C@H](NCc2cnc(Cl)s2)CC1 ZINC000257351432 345773941 /nfs/dbraw/zinc/77/39/41/345773941.db2.gz FAVMBQGEOHMFTM-ZKCHVHJHSA-N 1 3 245.779 2.156 10 0 BEAEHO c1cc2c3c(ccc4c3c1CNC4)C[NH2+]C2 ZINC000034590600 345834393 /nfs/dbraw/zinc/83/43/93/345834393.db2.gz HITIEOYNGDBUDI-UHFFFAOYSA-N 1 3 210.280 2.046 10 0 BEAEHO Cc1cccc(OC[C@@H](CC[NH3+])N2CCCC2)c1 ZINC000020401964 179171329 /nfs/dbraw/zinc/17/13/29/179171329.db2.gz WKGJDCAIBFWEDU-CQSZACIVSA-N 1 3 248.370 2.187 10 0 BEAEHO [NH3+]CCCOc1cccc(CN2CCCC2)c1 ZINC000039292876 347188551 /nfs/dbraw/zinc/18/85/51/347188551.db2.gz QXKZJYVGGKDGHX-UHFFFAOYSA-N 1 3 234.343 2.010 10 0 BEAEHO Cc1cccc([C@@H]2[C@@H](C[NH3+])CCCN2C)c1 ZINC000069796290 179191895 /nfs/dbraw/zinc/19/18/95/179191895.db2.gz ZBVPUWCLZURXGD-ZIAGYGMSSA-N 1 3 218.344 2.337 10 0 BEAEHO [NH3+]Cc1cc(Cl)cc(CN2CCCC2)c1 ZINC000669380405 537989546 /nfs/dbraw/zinc/98/95/46/537989546.db2.gz YNLLUNJTCBNLIW-UHFFFAOYSA-N 1 3 224.735 2.395 10 0 BEAEHO Cc1ccccc1C[N@@H+]1CCCN[C@@H](C)C1 ZINC000062609093 179273392 /nfs/dbraw/zinc/27/33/92/179273392.db2.gz AJGMAEBBERGERR-ZDUSSCGKSA-N 1 3 218.344 2.179 10 0 BEAEHO Cc1ccccc1C[N@H+]1CCCN[C@@H](C)C1 ZINC000062609093 179273393 /nfs/dbraw/zinc/27/33/93/179273393.db2.gz AJGMAEBBERGERR-ZDUSSCGKSA-N 1 3 218.344 2.179 10 0 BEAEHO Cc1ccccc1CN1CCC[NH2+]C[C@@H](C)C1 ZINC000049666759 179274841 /nfs/dbraw/zinc/27/48/41/179274841.db2.gz RWKCPYUNAWJFMF-CYBMUJFWSA-N 1 3 232.371 2.426 10 0 BEAEHO C[C@H]([NH2+]CC1CCCC1)[C@H]1CCCNC1 ZINC000563796845 323177940 /nfs/dbraw/zinc/17/79/40/323177940.db2.gz OJHGGUUMYRUYDM-AAEUAGOBSA-N 1 3 210.365 2.154 10 0 BEAEHO CN(C)[C@@H]1CCCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000606304072 351560223 /nfs/dbraw/zinc/56/02/23/351560223.db2.gz NGMVPAQWEPDLCT-RWMBFGLXSA-N 1 3 210.365 2.249 10 0 BEAEHO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@]1(C)CN ZINC000307406149 352581303 /nfs/dbraw/zinc/58/13/03/352581303.db2.gz DCDLJOKASDKHAU-GXTWGEPZSA-N 1 3 218.344 2.103 10 0 BEAEHO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@]1(C)CN ZINC000307406149 352581307 /nfs/dbraw/zinc/58/13/07/352581307.db2.gz DCDLJOKASDKHAU-GXTWGEPZSA-N 1 3 218.344 2.103 10 0 BEAEHO C[C@H]1C[N@H+](Cc2ccccc2)C[C@]1(C)CN ZINC000307406150 352581322 /nfs/dbraw/zinc/58/13/22/352581322.db2.gz DCDLJOKASDKHAU-JSGCOSHPSA-N 1 3 218.344 2.103 10 0 BEAEHO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@]1(C)CN ZINC000307406150 352581325 /nfs/dbraw/zinc/58/13/25/352581325.db2.gz DCDLJOKASDKHAU-JSGCOSHPSA-N 1 3 218.344 2.103 10 0 BEAEHO CC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000059183088 353144102 /nfs/dbraw/zinc/14/41/02/353144102.db2.gz VPBGDQKEFJMKRI-UHFFFAOYSA-N 1 3 231.343 2.238 10 0 BEAEHO COc1ccc([C@@H](NCCC[NH3+])C2CC2)cc1 ZINC000037713781 188083110 /nfs/dbraw/zinc/08/31/10/188083110.db2.gz OJXCVURPTSUALQ-AWEZNQCLSA-N 1 3 234.343 2.085 10 0 BEAEHO COc1ccc(CN2CCCCC2)cc1C[NH3+] ZINC000016942201 188107072 /nfs/dbraw/zinc/10/70/72/188107072.db2.gz XVCXEXWNVKCKST-UHFFFAOYSA-N 1 3 234.343 2.140 10 0 BEAEHO COc1ccc(CN(C)CCCCC(N)=[NH2+])cc1 ZINC000049579782 188125349 /nfs/dbraw/zinc/12/53/49/188125349.db2.gz AMOOLOWSAVHGCO-UHFFFAOYSA-N 1 3 249.358 2.233 10 0 BEAEHO C1=CC[C@H](CC[NH2+]C2CCNCC2)CC1 ZINC000530217967 355899549 /nfs/dbraw/zinc/89/95/49/355899549.db2.gz DAZTTWKFZWFELW-LBPRGKRZSA-N 1 3 208.349 2.074 10 0 BEAEHO CCNC[C@H]1C[NH2+]C[C@@H]1C1CCCCC1 ZINC000675050973 538473395 /nfs/dbraw/zinc/47/33/95/538473395.db2.gz DTYKPKJKKKERNM-QWHCGFSZSA-N 1 3 210.365 2.012 10 0 BEAEHO CCN1CC[C@H]([NH3+])C[C@H]1c1cccc(C)c1 ZINC000675055565 538475739 /nfs/dbraw/zinc/47/57/39/538475739.db2.gz VEKJNMBFSFMXOD-KBPBESRZSA-N 1 3 218.344 2.479 10 0 BEAEHO C[C@H]([NH2+][C@@H]1CC=CCC1)[C@H]1CCCNC1 ZINC000582540708 357338577 /nfs/dbraw/zinc/33/85/77/357338577.db2.gz WVTAZOXEQXNWFF-RWMBFGLXSA-N 1 3 208.349 2.073 10 0 BEAEHO C[C@@H]1CNC[C@H](C)[C@H]1[NH+]1CCCCCC1 ZINC000685951732 538895543 /nfs/dbraw/zinc/89/55/43/538895543.db2.gz WNPYJZRQRMVBCI-ITGUQSILSA-N 1 3 210.365 2.106 10 0 BEAEHO CC(C)=CCC[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000584774312 358175097 /nfs/dbraw/zinc/17/50/97/358175097.db2.gz MXABFGWQYFWBQW-OLZOCXBDSA-N 1 3 210.365 2.320 10 0 BEAEHO CC[C@@H]1CCCN(C[C@@]2(C)CC[NH2+]C2)C1 ZINC000219857240 134292029 /nfs/dbraw/zinc/29/20/29/134292029.db2.gz JQYHFVFSXOIBRJ-OLZOCXBDSA-N 1 3 210.365 2.108 10 0 BEAEHO C[C@H](Cc1ccccc1)[N@@H+]1CCC[C@@H](CN)C1 ZINC000257360555 359342256 /nfs/dbraw/zinc/34/22/56/359342256.db2.gz FTIJVWUYXLEMTG-HIFRSBDPSA-N 1 3 232.371 2.288 10 0 BEAEHO C[C@H](Cc1ccccc1)[N@H+]1CCC[C@@H](CN)C1 ZINC000257360555 359342258 /nfs/dbraw/zinc/34/22/58/359342258.db2.gz FTIJVWUYXLEMTG-HIFRSBDPSA-N 1 3 232.371 2.288 10 0 BEAEHO C[C@H](Cc1ccccc1)N1CCC[C@@H](C[NH3+])C1 ZINC000257360555 359342261 /nfs/dbraw/zinc/34/22/61/359342261.db2.gz FTIJVWUYXLEMTG-HIFRSBDPSA-N 1 3 232.371 2.288 10 0 BEAEHO NC[C@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000306287048 359520286 /nfs/dbraw/zinc/52/02/86/359520286.db2.gz ZCCZVFYYURWFIW-CABCVRRESA-N 1 3 230.355 2.247 10 0 BEAEHO NC[C@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000306287048 359520288 /nfs/dbraw/zinc/52/02/88/359520288.db2.gz ZCCZVFYYURWFIW-CABCVRRESA-N 1 3 230.355 2.247 10 0 BEAEHO CC(=[NH2+])N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000306571224 360458062 /nfs/dbraw/zinc/45/80/62/360458062.db2.gz GVHHBRRVHYGCAV-IUODEOHRSA-N 1 3 245.370 2.484 10 0 BEAEHO Cc1ccsc1[C@H]1[C@H](C[NH3+])CCN1C ZINC000069796097 360557570 /nfs/dbraw/zinc/55/75/70/360557570.db2.gz TYFSIFPOEJGSAA-VHSXEESVSA-N 1 3 210.346 2.008 10 0 BEAEHO CCC[C@H](CN[C@H](C)[C@H]1CCC[NH2+]C1)OCC ZINC000629515047 361112489 /nfs/dbraw/zinc/11/24/89/361112489.db2.gz PUXIVXGGIWHSRQ-HZSPNIEDSA-N 1 3 242.407 2.169 10 0 BEAEHO C[C@H]([NH2+]CC[C@H]1CC1(F)F)[C@H]1CCCNC1 ZINC000622044089 370675682 /nfs/dbraw/zinc/67/56/82/370675682.db2.gz UMYWQASWHVYMRA-DCAQKATOSA-N 1 3 232.318 2.009 10 0 BEAEHO C([NH2+][C@@H]1CCCNCC1)[C@H]1CCCC12CC2 ZINC000629553922 361440022 /nfs/dbraw/zinc/44/00/22/361440022.db2.gz DSWCCZXQIILQSW-CHWSQXEVSA-N 1 3 222.376 2.298 10 0 BEAEHO C[C@H]1CC[C@H](Nc2ccnc3ccccc32)C[NH2+]1 ZINC000630535740 364231428 /nfs/dbraw/zinc/23/14/28/364231428.db2.gz ZMLXRFOZTCIYBW-RYUDHWBXSA-N 1 3 241.338 2.209 10 0 BEAEHO [NH3+]CCCN[C@H]1CCCc2sccc21 ZINC000061328167 181383102 /nfs/dbraw/zinc/38/31/02/181383102.db2.gz NYBHLCIENHYMCQ-JTQLQIEISA-N 1 3 210.346 2.064 10 0 BEAEHO [NH3+]CCCN[C@@H](c1ccccc1)C1CC1 ZINC000042373159 181383202 /nfs/dbraw/zinc/38/32/02/181383202.db2.gz NNMMOYHBBYWRAL-ZDUSSCGKSA-N 1 3 204.317 2.076 10 0 BEAEHO C[C@@H]1C[N@H+](C[C@H]2CCCCC2(F)F)C[C@@H]1CN ZINC000631837813 369103860 /nfs/dbraw/zinc/10/38/60/369103860.db2.gz XLUNVEKWODRWFX-GRYCIOLGSA-N 1 3 246.345 2.339 10 0 BEAEHO C[C@@H]1C[N@@H+](C[C@H]2CCCCC2(F)F)C[C@@H]1CN ZINC000631837813 369103862 /nfs/dbraw/zinc/10/38/62/369103862.db2.gz XLUNVEKWODRWFX-GRYCIOLGSA-N 1 3 246.345 2.339 10 0 BEAEHO C[C@@H]1C[N@H+](CCC2CCCC2)C[C@@H]1CN ZINC000631839949 369191390 /nfs/dbraw/zinc/19/13/90/369191390.db2.gz NEVFXQZDWVQKFL-YPMHNXCESA-N 1 3 210.365 2.093 10 0 BEAEHO C[C@@H]1C[N@@H+](CCC2CCCC2)C[C@@H]1CN ZINC000631839949 369191394 /nfs/dbraw/zinc/19/13/94/369191394.db2.gz NEVFXQZDWVQKFL-YPMHNXCESA-N 1 3 210.365 2.093 10 0 BEAEHO [NH3+][C@@H](CCNC[C@@H]1CCCCO1)c1ccccc1 ZINC000042825432 181544285 /nfs/dbraw/zinc/54/42/85/181544285.db2.gz ZVPUKZGBODGHEU-GJZGRUSLSA-N 1 3 248.370 2.235 10 0 BEAEHO [NH3+][C@H](CCN1CCCC1)c1cccc(F)c1 ZINC000053976253 181614673 /nfs/dbraw/zinc/61/46/73/181614673.db2.gz IIJPBSFRPQQBPJ-CYBMUJFWSA-N 1 3 222.307 2.311 10 0 BEAEHO CC[C@H](CC(F)F)C[N@@H+]1C[C@H](C)[C@@H](CN)C1 ZINC000631837120 372627880 /nfs/dbraw/zinc/62/78/80/372627880.db2.gz NBLOHWQOODGQFJ-AXFHLTTASA-N 1 3 234.334 2.194 10 0 BEAEHO CC[C@H](CC(F)F)C[N@H+]1C[C@H](C)[C@@H](CN)C1 ZINC000631837120 372627881 /nfs/dbraw/zinc/62/78/81/372627881.db2.gz NBLOHWQOODGQFJ-AXFHLTTASA-N 1 3 234.334 2.194 10 0 BEAEHO CCC(C)(C)CC[N@@H+]1C[C@@H](C)[C@@H](CN)C1 ZINC000631837981 372629389 /nfs/dbraw/zinc/62/93/89/372629389.db2.gz YLUVTZHTSBIQDK-NEPJUHHUSA-N 1 3 212.381 2.339 10 0 BEAEHO CCC(C)(C)CC[N@H+]1C[C@@H](C)[C@@H](CN)C1 ZINC000631837981 372629398 /nfs/dbraw/zinc/62/93/98/372629398.db2.gz YLUVTZHTSBIQDK-NEPJUHHUSA-N 1 3 212.381 2.339 10 0 BEAEHO Cc1cc(CN2C[C@@H](C)[C@@H](C[NH3+])C2)c(C)s1 ZINC000631838399 372630706 /nfs/dbraw/zinc/63/07/06/372630706.db2.gz NPRBZFSBAVAZSQ-RNCFNFMXSA-N 1 3 238.400 2.392 10 0 BEAEHO Cc1cc(CN2C[C@H](C)[C@@H](C[NH3+])C2)c(C)s1 ZINC000631838401 372631807 /nfs/dbraw/zinc/63/18/07/372631807.db2.gz NPRBZFSBAVAZSQ-ZANVPECISA-N 1 3 238.400 2.392 10 0 BEAEHO Cc1cccc(CN2C[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000631843882 372641820 /nfs/dbraw/zinc/64/18/20/372641820.db2.gz STYARPQHRUTRHL-OCCSQVGLSA-N 1 3 218.344 2.022 10 0 BEAEHO Cc1cccc(C[N@H+]2C[C@@H](C)[C@@H](CN)C2)c1 ZINC000631843882 372641823 /nfs/dbraw/zinc/64/18/23/372641823.db2.gz STYARPQHRUTRHL-OCCSQVGLSA-N 1 3 218.344 2.022 10 0 BEAEHO Cc1cccc(C[N@@H+]2C[C@@H](C)[C@@H](CN)C2)c1 ZINC000631843882 372641825 /nfs/dbraw/zinc/64/18/25/372641825.db2.gz STYARPQHRUTRHL-OCCSQVGLSA-N 1 3 218.344 2.022 10 0 BEAEHO CCCN(CC1CC1)C[C@@]1(C)CC[NH2+]C1 ZINC000062911718 169138965 /nfs/dbraw/zinc/13/89/65/169138965.db2.gz VEGUSYSBNVIBSL-ZDUSSCGKSA-N 1 3 210.365 2.108 10 0 BEAEHO CCC[NH+]1CCC(CNCc2ccco2)CC1 ZINC000105446429 169187282 /nfs/dbraw/zinc/18/72/82/169187282.db2.gz RONMKZWRFRDGAN-UHFFFAOYSA-N 1 3 236.359 2.491 10 0 BEAEHO CCC[NH2+]CC(C)(C)CN(CC)[C@@H](C)COC ZINC000051250776 169256144 /nfs/dbraw/zinc/25/61/44/169256144.db2.gz QRFJRFRCWSBUND-ZDUSSCGKSA-N 1 3 244.423 2.369 10 0 BEAEHO c1ccc(CN2CC3(C2)CCC[NH2+]CC3)cc1 ZINC000082346683 183397038 /nfs/dbraw/zinc/39/70/38/183397038.db2.gz LMEWUDKBHHOSFP-UHFFFAOYSA-N 1 3 230.355 2.262 10 0 BEAEHO Cc1ccc([C@H](C)NCCC[NH3+])c(C)c1 ZINC000037713296 384511102 /nfs/dbraw/zinc/51/11/02/384511102.db2.gz GEEUGWAFXUYASQ-LBPRGKRZSA-N 1 3 206.333 2.303 10 0 BEAEHO Cc1ccc(C)c([C@H](C)NCCC[NH3+])c1 ZINC000037713306 384513539 /nfs/dbraw/zinc/51/35/39/384513539.db2.gz SRGFUTIANPWYLV-LBPRGKRZSA-N 1 3 206.333 2.303 10 0 BEAEHO CC(C)C[C@H]([NH3+])CNCCc1ccccc1 ZINC000107770134 384782790 /nfs/dbraw/zinc/78/27/90/384782790.db2.gz TWRCTYNCDUNSNJ-AWEZNQCLSA-N 1 3 220.360 2.192 10 0 BEAEHO CSc1ccc(CNCC[C@H](C)[NH3+])cc1 ZINC000258857392 384947231 /nfs/dbraw/zinc/94/72/31/384947231.db2.gz YEMXYNGRIQFXBV-JTQLQIEISA-N 1 3 224.373 2.235 10 0 BEAEHO C[C@@H](Cc1ccccc1)N1CCC([NH3+])CC1 ZINC000062179810 384983490 /nfs/dbraw/zinc/98/34/90/384983490.db2.gz MDILHHANIRJVPD-LBPRGKRZSA-N 1 3 218.344 2.041 10 0 BEAEHO C[NH+](C)CC1CCC(NCc2ccco2)CC1 ZINC000119961391 385375106 /nfs/dbraw/zinc/37/51/06/385375106.db2.gz ROXOPEVZJPUZPD-UHFFFAOYSA-N 1 3 236.359 2.490 10 0 BEAEHO C[C@@H]1C[C@H](N)[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000169616759 385415595 /nfs/dbraw/zinc/41/55/95/385415595.db2.gz MPGWATXLKGPBOP-BZPMIXESSA-N 1 3 218.344 2.244 10 0 BEAEHO C[C@@H]1C[C@H](N)[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000169616759 385415600 /nfs/dbraw/zinc/41/56/00/385415600.db2.gz MPGWATXLKGPBOP-BZPMIXESSA-N 1 3 218.344 2.244 10 0 BEAEHO C[C@H]([NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1)[C@H]1CCCNC1 ZINC000647804252 385840238 /nfs/dbraw/zinc/84/02/38/385840238.db2.gz MRMNKIYOVUGXQB-MEBFFEOJSA-N 1 3 222.376 2.153 10 0 BEAEHO Fc1cccc(CCN[C@H]2CCC[NH2+]CC2)c1 ZINC000128952283 386019742 /nfs/dbraw/zinc/01/97/42/386019742.db2.gz IPEICPMUEFSFAO-AWEZNQCLSA-N 1 3 236.334 2.100 10 0 BEAEHO Fc1cccc(CC[NH2+][C@H]2CCCNCC2)c1 ZINC000128952283 386019751 /nfs/dbraw/zinc/01/97/51/386019751.db2.gz IPEICPMUEFSFAO-AWEZNQCLSA-N 1 3 236.334 2.100 10 0 BEAEHO CCC1CCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000062911611 386655478 /nfs/dbraw/zinc/65/54/78/386655478.db2.gz VZAOXMSZOPTONS-CYBMUJFWSA-N 1 3 210.365 2.108 10 0 BEAEHO C[C@H]1CC(C)(C)C[N@@H+]1C[C@@H]1CCCNC1 ZINC000334854424 386905600 /nfs/dbraw/zinc/90/56/00/386905600.db2.gz MXRGYIRBIBGOLL-NWDGAFQWSA-N 1 3 210.365 2.106 10 0 BEAEHO C[C@H]1CC(C)(C)C[N@H+]1C[C@@H]1CCCNC1 ZINC000334854424 386905604 /nfs/dbraw/zinc/90/56/04/386905604.db2.gz MXRGYIRBIBGOLL-NWDGAFQWSA-N 1 3 210.365 2.106 10 0 BEAEHO N[C@H](CCCC[NH3+])c1cc(F)cc(F)c1F ZINC000575439891 387125308 /nfs/dbraw/zinc/12/53/08/387125308.db2.gz NTANTNPWJGYNQJ-SNVBAGLBSA-N 1 3 232.249 2.233 10 0 BEAEHO C[C@@H]([NH2+]CCC1(C)CC1)[C@H]1CCCNC1 ZINC000643486549 387344087 /nfs/dbraw/zinc/34/40/87/387344087.db2.gz ZWLSGZKSJXQWEX-NEPJUHHUSA-N 1 3 210.365 2.154 10 0 BEAEHO CCC1CCC([NH2+][C@H](C)C2CNC2)CC1 ZINC000422724513 387633648 /nfs/dbraw/zinc/63/36/48/387633648.db2.gz VWNDXEFKXAORQQ-XSRFYTQQSA-N 1 3 210.365 2.153 10 0 BEAEHO C[C@H](CN[C@H]1CCC[NH2+]CC1)Oc1ccccc1 ZINC000422978074 387788595 /nfs/dbraw/zinc/78/85/95/387788595.db2.gz GTUZOBMPPPXSQV-KGLIPLIRSA-N 1 3 248.370 2.186 10 0 BEAEHO FC1(CC[NH2+][C@@H]2CCCNCC2)CCC1 ZINC000423125708 387904675 /nfs/dbraw/zinc/90/46/75/387904675.db2.gz OBEVSTZFXMVCAL-LLVKDONJSA-N 1 3 214.328 2.000 10 0 BEAEHO FC1(CCN[C@@H]2CCC[NH2+]CC2)CCC1 ZINC000423125708 387904678 /nfs/dbraw/zinc/90/46/78/387904678.db2.gz OBEVSTZFXMVCAL-LLVKDONJSA-N 1 3 214.328 2.000 10 0 BEAEHO Cc1cccnc1CCC[NH2+][C@@H]1CCCNCC1 ZINC000423149712 387928236 /nfs/dbraw/zinc/92/82/36/387928236.db2.gz HRRCOUFHJDOGJQ-CQSZACIVSA-N 1 3 247.386 2.054 10 0 BEAEHO Cc1cccnc1CCCN[C@@H]1CCC[NH2+]CC1 ZINC000423149712 387928242 /nfs/dbraw/zinc/92/82/42/387928242.db2.gz HRRCOUFHJDOGJQ-CQSZACIVSA-N 1 3 247.386 2.054 10 0 BEAEHO C[C@@H]([NH2+][C@@H](C)[C@@H]1CCCNC1)C(C)(C)C ZINC000519815798 256661183 /nfs/dbraw/zinc/66/11/83/256661183.db2.gz BLXHUWNEDHVHMU-QJPTWQEYSA-N 1 3 212.381 2.399 10 0 BEAEHO Cc1cc(N[C@@H](C)[C@@H](C)[NH3+])c2ccccc2n1 ZINC000336099542 388456634 /nfs/dbraw/zinc/45/66/34/388456634.db2.gz LIGWOJRSNFICBU-MNOVXSKESA-N 1 3 229.327 2.113 10 0 BEAEHO CSC1(C[NH2+][C@H](C)[C@H]2CCCNC2)CCC1 ZINC000517122840 388538905 /nfs/dbraw/zinc/53/89/05/388538905.db2.gz LBRFARMCBXBXEM-NEPJUHHUSA-N 1 3 242.432 2.250 10 0 BEAEHO C[C@@H](NCC1=CCCCC1)[C@H]1CC[NH2+]C1 ZINC000400697979 533364506 /nfs/dbraw/zinc/36/45/06/533364506.db2.gz JMJYFPGMEWBMPI-YPMHNXCESA-N 1 3 208.349 2.074 10 0 BEAEHO CC[C@H](C)N1CCN(c2ccccc2C[NH3+])CC1 ZINC000020266282 132330961 /nfs/dbraw/zinc/33/09/61/132330961.db2.gz LWRIRYTYTNUYQO-ZDUSSCGKSA-N 1 3 247.386 2.066 10 0 BEAEHO c1cc(N2CCC([C@H]3CCC[NH2+]3)CC2)ccn1 ZINC000063201273 132389266 /nfs/dbraw/zinc/38/92/66/132389266.db2.gz FENSUKNVABSAKQ-CQSZACIVSA-N 1 3 231.343 2.050 10 0 BEAEHO CC(C)[NH2+]CCC[C@@H](C)N1CCOCC1(C)C ZINC000052546158 167102948 /nfs/dbraw/zinc/10/29/48/167102948.db2.gz BISSCBIWGASXJY-CYBMUJFWSA-N 1 3 242.407 2.264 10 0 BEAEHO Cc1ccc(CNCC[C@H](C)[NH3+])cc1C ZINC000258654237 322875503 /nfs/dbraw/zinc/87/55/03/322875503.db2.gz AWIZQUJPLQALSU-LBPRGKRZSA-N 1 3 206.333 2.130 10 0 BEAEHO CC(C)NCC[C@H](C)[N@@H+](C)CC1CCOCC1 ZINC000104196197 167109210 /nfs/dbraw/zinc/10/92/10/167109210.db2.gz VQTFXKQFFBRDFO-ZDUSSCGKSA-N 1 3 242.407 2.121 10 0 BEAEHO CC(C)[NH2+]CC[C@H](C)N(C)CC1CCOCC1 ZINC000104196197 167109214 /nfs/dbraw/zinc/10/92/14/167109214.db2.gz VQTFXKQFFBRDFO-ZDUSSCGKSA-N 1 3 242.407 2.121 10 0 BEAEHO CC(C)(CC[NH3+])NCc1ccc(F)cc1 ZINC000258810113 322876311 /nfs/dbraw/zinc/87/63/11/322876311.db2.gz KRBAEASFZGVRLD-UHFFFAOYSA-N 1 3 210.296 2.043 10 0 BEAEHO Cc1cc(C)c(CNCC[C@H](C)[NH3+])c(C)c1 ZINC000258849381 322878799 /nfs/dbraw/zinc/87/87/99/322878799.db2.gz XEIVVVHXKVYWDN-ZDUSSCGKSA-N 1 3 220.360 2.439 10 0 BEAEHO Cc1cc(CNC(C)(C)CC[NH3+])ccc1F ZINC000258916374 322879675 /nfs/dbraw/zinc/87/96/75/322879675.db2.gz UCPCBVBZACWNOK-UHFFFAOYSA-N 1 3 224.323 2.351 10 0 BEAEHO CC(C)CN(C)CCC[NH2+]C1CCCC1 ZINC000053499079 410739030 /nfs/dbraw/zinc/73/90/30/410739030.db2.gz LMUVESWPOPDUEX-UHFFFAOYSA-N 1 3 212.381 2.497 10 0 BEAEHO CC(C)[NH2+]CCCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000052380739 167101393 /nfs/dbraw/zinc/10/13/93/167101393.db2.gz XICPORMWPNJHJG-ZIAGYGMSSA-N 1 3 242.407 2.264 10 0 BEAEHO CC(C)NCC[C@H](C)[N@H+](C)CC1CCOCC1 ZINC000104196197 167109207 /nfs/dbraw/zinc/10/92/07/167109207.db2.gz VQTFXKQFFBRDFO-ZDUSSCGKSA-N 1 3 242.407 2.121 10 0 BEAEHO CC(C)Oc1ccc([C@@H](C)NCCC[NH3+])cc1 ZINC000037713328 167299441 /nfs/dbraw/zinc/29/94/41/167299441.db2.gz XVAMSQNQPXWYHR-GFCCVEGCSA-N 1 3 236.359 2.473 10 0 BEAEHO CC1CCC([N@@H+]2CC[C@@H](N)C[C@@H]2C)CC1 ZINC000049709754 168159020 /nfs/dbraw/zinc/15/90/20/168159020.db2.gz SUIGBUCAFLGZNL-CMOBGSAGSA-N 1 3 210.365 2.377 10 0 BEAEHO CC1CCC([N@H+]2CC[C@@H](N)C[C@@H]2C)CC1 ZINC000049709754 168159021 /nfs/dbraw/zinc/15/90/21/168159021.db2.gz SUIGBUCAFLGZNL-CMOBGSAGSA-N 1 3 210.365 2.377 10 0 BEAEHO CC1CCC(N(C)C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000062911688 168160176 /nfs/dbraw/zinc/16/01/76/168160176.db2.gz PYDGKXIXTIBCPE-RUXDESIVSA-N 1 3 224.392 2.497 10 0 BEAEHO CC1CCN(Cc2ccccc2C(N)=[NH2+])CC1 ZINC000019512912 168184266 /nfs/dbraw/zinc/18/42/66/168184266.db2.gz GTBMZURDMTVBEH-UHFFFAOYSA-N 1 3 231.343 2.203 10 0 BEAEHO CC1CC[NH+]([C@@H]2CCCC[C@@H]2CN)CC1 ZINC000037156824 168186215 /nfs/dbraw/zinc/18/62/15/168186215.db2.gz IYJQXUBLPSMLQW-CHWSQXEVSA-N 1 3 210.365 2.236 10 0 BEAEHO CCC(C)(C)[N@H+]1C[C@H](C)CNC[C@H](C)C1 ZINC000049665002 168287887 /nfs/dbraw/zinc/28/78/87/168287887.db2.gz SRKGHOKKZMUNGC-TXEJJXNPSA-N 1 3 212.381 2.352 10 0 BEAEHO CCC(C)(C)[N@@H+]1C[C@H](C)CNC[C@H](C)C1 ZINC000049665002 168287889 /nfs/dbraw/zinc/28/78/89/168287889.db2.gz SRKGHOKKZMUNGC-TXEJJXNPSA-N 1 3 212.381 2.352 10 0 BEAEHO CC[NH2+]C[C@H]1CCCN(CCC(C)C)C1 ZINC000053653989 170122790 /nfs/dbraw/zinc/12/27/90/170122790.db2.gz ADSFUIOPBRBKFB-CYBMUJFWSA-N 1 3 212.381 2.354 10 0 BEAEHO CC[NH2+][C@@H]1CCC[C@@H]1CN1CCC(C)CC1 ZINC000053860877 170150626 /nfs/dbraw/zinc/15/06/26/170150626.db2.gz HORDZPUCDIFSBL-ZIAGYGMSSA-N 1 3 224.392 2.497 10 0 BEAEHO CC[NH2+][C@H]1CCC[C@H]1CN(CC)CCOCC ZINC000104190895 170166498 /nfs/dbraw/zinc/16/64/98/170166498.db2.gz KWPLJDWRAPAYKO-KBPBESRZSA-N 1 3 242.407 2.123 10 0 BEAEHO CC[NH2+][C@H]1CCC[C@@H]1CN(CC)[C@@H](C)COC ZINC000053871458 170166605 /nfs/dbraw/zinc/16/66/05/170166605.db2.gz GZCNVJYWNPIWAY-MJBXVCDLSA-N 1 3 242.407 2.121 10 0 BEAEHO CCN[C@H]1CC[N@@H+](C2CCCCCC2)C1 ZINC000037242438 170166981 /nfs/dbraw/zinc/16/69/81/170166981.db2.gz ARTKKILDPRMGOC-LBPRGKRZSA-N 1 3 210.365 2.393 10 0 BEAEHO CCN[C@H]1CC[N@H+](C2CCCCCC2)C1 ZINC000037242438 170166983 /nfs/dbraw/zinc/16/69/83/170166983.db2.gz ARTKKILDPRMGOC-LBPRGKRZSA-N 1 3 210.365 2.393 10 0 BEAEHO CCOCCCN1CC[C@@H](CC)[NH2+][C@@H](C)CC1 ZINC000049665157 170375489 /nfs/dbraw/zinc/37/54/89/170375489.db2.gz PKRLXDJHKBOGDA-UONOGXRCSA-N 1 3 242.407 2.266 10 0 BEAEHO CC[C@@H]1[C@H](N)CCC[N@@H+]1Cc1ccccc1 ZINC000082374890 171162653 /nfs/dbraw/zinc/16/26/53/171162653.db2.gz QYIOHZIVSUBXIY-ZIAGYGMSSA-N 1 3 218.344 2.388 10 0 BEAEHO CC[C@@H]1[C@H](N)CCC[N@H+]1Cc1ccccc1 ZINC000082374890 171162654 /nfs/dbraw/zinc/16/26/54/171162654.db2.gz QYIOHZIVSUBXIY-ZIAGYGMSSA-N 1 3 218.344 2.388 10 0 BEAEHO C[C@H]1CC(C[NH2+]C2CCNCC2)C[C@H](C)C1 ZINC000665239327 412176011 /nfs/dbraw/zinc/17/60/11/412176011.db2.gz QYMFOUPPPNBMEE-VXGBXAGGSA-N 1 3 224.392 2.400 10 0 BEAEHO CC[C@H](C)CC[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000665238113 412179008 /nfs/dbraw/zinc/17/90/08/412179008.db2.gz QXNHFVDSIFILJJ-XQQFMLRXSA-N 1 3 212.381 2.400 10 0 BEAEHO CN1CC[C@@H](C[NH2+]Cc2ccc(Cl)cc2)C1 ZINC000037484574 173114101 /nfs/dbraw/zinc/11/41/01/173114101.db2.gz IKVBNPRFNJYJAO-LBPRGKRZSA-N 1 3 238.762 2.381 10 0 BEAEHO CN1CC[C@H](C[NH2+]Cc2ccc(F)c(F)c2)C1 ZINC000037645876 173146372 /nfs/dbraw/zinc/14/63/72/173146372.db2.gz IEDLBGXIBBUQCM-LLVKDONJSA-N 1 3 240.297 2.006 10 0 BEAEHO CNC(C)(C)C[N@@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000061319616 173318970 /nfs/dbraw/zinc/31/89/70/173318970.db2.gz CAPGJTFJYQCBSH-CHWSQXEVSA-N 1 3 224.392 2.497 10 0 BEAEHO CNC(C)(C)C[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000061319616 173318972 /nfs/dbraw/zinc/31/89/72/173318972.db2.gz CAPGJTFJYQCBSH-CHWSQXEVSA-N 1 3 224.392 2.497 10 0 BEAEHO CNC[C@H]1CCC[N@@H+]([C@@H](C)C2CCCC2)C1 ZINC000054082008 173379225 /nfs/dbraw/zinc/37/92/25/173379225.db2.gz SPWYLWMRRJQOBD-QWHCGFSZSA-N 1 3 224.392 2.497 10 0 BEAEHO CNC[C@H]1CCC[N@H+]([C@@H](C)C2CCCC2)C1 ZINC000054082008 173379226 /nfs/dbraw/zinc/37/92/26/173379226.db2.gz SPWYLWMRRJQOBD-QWHCGFSZSA-N 1 3 224.392 2.497 10 0 BEAEHO CNCc1cc(C[N@@H+]2CCC[C@@H]2C)c(C)o1 ZINC000052376108 173387316 /nfs/dbraw/zinc/38/73/16/173387316.db2.gz WIWVOQVIFVKACA-JTQLQIEISA-N 1 3 222.332 2.292 10 0 BEAEHO CNCc1cc(C[N@H+]2CCC[C@@H]2C)c(C)o1 ZINC000052376108 173387317 /nfs/dbraw/zinc/38/73/17/173387317.db2.gz WIWVOQVIFVKACA-JTQLQIEISA-N 1 3 222.332 2.292 10 0 BEAEHO CNCc1ccccc1OCCC[NH+]1CCCC1 ZINC000049331798 173390416 /nfs/dbraw/zinc/39/04/16/173390416.db2.gz YVNBZUHEFQKOQF-UHFFFAOYSA-N 1 3 248.370 2.271 10 0 BEAEHO CN[C@@H]1CCC[C@@H]1C[NH+]1CCCCCC1 ZINC000053862031 173434804 /nfs/dbraw/zinc/43/48/04/173434804.db2.gz WLBGSDFVXSPKCI-CHWSQXEVSA-N 1 3 210.365 2.251 10 0 BEAEHO COCC[N@H+](C1CC1)[C@@H]1CCCCC[C@@H]1CN ZINC000042517604 174285142 /nfs/dbraw/zinc/28/51/42/174285142.db2.gz FPNIPWUXCYLYBP-TZMCWYRMSA-N 1 3 240.391 2.005 10 0 BEAEHO COCC[N@@H+](C1CC1)[C@@H]1CCCCC[C@@H]1CN ZINC000042517604 174285144 /nfs/dbraw/zinc/28/51/44/174285144.db2.gz FPNIPWUXCYLYBP-TZMCWYRMSA-N 1 3 240.391 2.005 10 0 BEAEHO COCCN(C1CC1)[C@]1(C[NH3+])CCCC[C@H]1C ZINC000042517897 174285239 /nfs/dbraw/zinc/28/52/39/174285239.db2.gz FEMBKSWMOJKWQO-OCCSQVGLSA-N 1 3 240.391 2.005 10 0 BEAEHO COCCN(CC(C)C)[C@@H]1C[C@H](C)CC[C@H]1[NH3+] ZINC000042368729 174286947 /nfs/dbraw/zinc/28/69/47/174286947.db2.gz VUTXUBNYPNFXCQ-MGPQQGTHSA-N 1 3 242.407 2.107 10 0 BEAEHO COCC[N@H+](CC(C)C)CC1(N)CCCCC1 ZINC000042370854 174287244 /nfs/dbraw/zinc/28/72/44/174287244.db2.gz LRWXVBWMEBANLS-UHFFFAOYSA-N 1 3 242.407 2.252 10 0 BEAEHO COCC[N@@H+](CC(C)C)CC1(N)CCCCC1 ZINC000042370854 174287245 /nfs/dbraw/zinc/28/72/45/174287245.db2.gz LRWXVBWMEBANLS-UHFFFAOYSA-N 1 3 242.407 2.252 10 0 BEAEHO COc1cccc([C@H](C)N2C[C@@H](C[NH3+])C[C@@H]2C)c1 ZINC000131455936 175292511 /nfs/dbraw/zinc/29/25/11/175292511.db2.gz MHULZIDFKNLKME-RWMBFGLXSA-N 1 3 248.370 2.425 10 0 BEAEHO COc1ccccc1CN(C)[C@@H](C)CCC[NH3+] ZINC000052542273 175325411 /nfs/dbraw/zinc/32/54/11/175325411.db2.gz QOCKSKHHRDOPCU-LBPRGKRZSA-N 1 3 236.359 2.254 10 0 BEAEHO C[C@@H](c1ccc(N)cc1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071187844 176015275 /nfs/dbraw/zinc/01/52/75/176015275.db2.gz CVCYWZXLXHMQST-QWHCGFSZSA-N 1 3 247.386 2.213 10 0 BEAEHO C[C@@H](c1ccc(N)cc1)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071187844 176015278 /nfs/dbraw/zinc/01/52/78/176015278.db2.gz CVCYWZXLXHMQST-QWHCGFSZSA-N 1 3 247.386 2.213 10 0 BEAEHO C[C@@H]1CCCC[N@@H+]1Cc1occc1CN ZINC000052378734 176074211 /nfs/dbraw/zinc/07/42/11/176074211.db2.gz MFIZNEJPRAFIIP-SNVBAGLBSA-N 1 3 208.305 2.113 10 0 BEAEHO C[C@@H]1CCCC[N@H+]1Cc1occc1CN ZINC000052378734 176074213 /nfs/dbraw/zinc/07/42/13/176074213.db2.gz MFIZNEJPRAFIIP-SNVBAGLBSA-N 1 3 208.305 2.113 10 0 BEAEHO C[C@@H]1CCC[N@H+](Cc2cc(CN)co2)[C@@H]1C ZINC000052373392 176099692 /nfs/dbraw/zinc/09/96/92/176099692.db2.gz MNVKJJMTJIJLCW-GHMZBOCLSA-N 1 3 222.332 2.359 10 0 BEAEHO C[C@@H]1CCC[N@@H+](Cc2cc(CN)co2)[C@@H]1C ZINC000052373392 176099693 /nfs/dbraw/zinc/09/96/93/176099693.db2.gz MNVKJJMTJIJLCW-GHMZBOCLSA-N 1 3 222.332 2.359 10 0 BEAEHO C[C@@H]1CCC[C@H](N(C)C[C@]2(C)CC[NH2+]C2)C1 ZINC000062911747 176140183 /nfs/dbraw/zinc/14/01/83/176140183.db2.gz OIVQKZLRNVMPBW-HZSPNIEDSA-N 1 3 224.392 2.497 10 0 BEAEHO C[C@@H]1C[N@@H+](C2CCCCCC2)CC[C@@H]1N ZINC000049710501 176282923 /nfs/dbraw/zinc/28/29/23/176282923.db2.gz ITVZDERBBYHQQN-YPMHNXCESA-N 1 3 210.365 2.378 10 0 BEAEHO C[C@@H]1C[N@H+](C2CCCCCC2)CC[C@@H]1N ZINC000049710501 176282925 /nfs/dbraw/zinc/28/29/25/176282925.db2.gz ITVZDERBBYHQQN-YPMHNXCESA-N 1 3 210.365 2.378 10 0 BEAEHO C[C@@H]1CN(CCCCCCC[NH3+])C[C@@H](C)O1 ZINC000020071872 176287425 /nfs/dbraw/zinc/28/74/25/176287425.db2.gz GOROZGHHSNVMQW-CHWSQXEVSA-N 1 3 228.380 2.005 10 0 BEAEHO C[C@@H]1CN([C@@H]2CCCCC[C@@H]2C[NH3+])[C@H](C)CO1 ZINC000035782905 176315083 /nfs/dbraw/zinc/31/50/83/176315083.db2.gz VVVZGZHVDRBCPR-AAVRWANBSA-N 1 3 240.391 2.003 10 0 BEAEHO C[C@H](C[NH2+][C@@H]1CCCSC1)CN1CCCC1 ZINC000062079011 176683447 /nfs/dbraw/zinc/68/34/47/176683447.db2.gz JRWFQDPMHWKQJJ-CHWSQXEVSA-N 1 3 242.432 2.204 10 0 BEAEHO C[C@H]1[C@H]([NH+]2CCC(N)CC2)CCC[C@@H]1C ZINC000019479427 177121658 /nfs/dbraw/zinc/12/16/58/177121658.db2.gz RWWYMGPURNNWNQ-DMDPSCGWSA-N 1 3 210.365 2.234 10 0 BEAEHO C[C@H]1CCC[C@H]([NH+]2CCCNCCC2)C1 ZINC000049665920 177135133 /nfs/dbraw/zinc/13/51/33/177135133.db2.gz YLBNJPUCWCPLDD-STQMWFEESA-N 1 3 210.365 2.251 10 0 BEAEHO C[C@@H]1C[NH2+]C[C@H](C)CN(Cc2ccccc2)C1 ZINC000049664210 177286104 /nfs/dbraw/zinc/28/61/04/177286104.db2.gz CPQBZFAVDHALIR-OKILXGFUSA-N 1 3 232.371 2.364 10 0 BEAEHO C[C@@H]1[C@@H](C)C[C@@H](N)C[N@@H+]1Cc1ccccc1 ZINC000068593187 177327955 /nfs/dbraw/zinc/32/79/55/177327955.db2.gz NVIRYIHNKWLTFW-OUCADQQQSA-N 1 3 218.344 2.244 10 0 BEAEHO C[C@@H]1[C@@H](C)C[C@@H](N)C[N@H+]1Cc1ccccc1 ZINC000068593187 177327957 /nfs/dbraw/zinc/32/79/57/177327957.db2.gz NVIRYIHNKWLTFW-OUCADQQQSA-N 1 3 218.344 2.244 10 0 BEAEHO C[C@H]1C[C@H](N)[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000068593042 177364673 /nfs/dbraw/zinc/36/46/73/177364673.db2.gz MPGWATXLKGPBOP-OBJOEFQTSA-N 1 3 218.344 2.244 10 0 BEAEHO C[C@H]1C[C@H](N)[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000068593042 177364674 /nfs/dbraw/zinc/36/46/74/177364674.db2.gz MPGWATXLKGPBOP-OBJOEFQTSA-N 1 3 218.344 2.244 10 0 BEAEHO C[C@H](CCc1ccco1)[NH2+][C@H]1CCC[C@H]1CN ZINC000251121969 487748611 /nfs/dbraw/zinc/74/86/11/487748611.db2.gz RHCJYCKPJRMLCA-DYEKYZERSA-N 1 3 236.359 2.318 10 0 BEAEHO C[C@H](CCc1ccco1)[NH2+][C@H]1CCC[C@@H]1CN ZINC000089147855 487763300 /nfs/dbraw/zinc/76/33/00/487763300.db2.gz RHCJYCKPJRMLCA-BZPMIXESSA-N 1 3 236.359 2.318 10 0 BEAEHO C[C@@H]([NH2+]CC1(C)CCC1)[C@H]1CCCNC1 ZINC000667023768 487931791 /nfs/dbraw/zinc/93/17/91/487931791.db2.gz ZRRIZFOWFGTILT-NEPJUHHUSA-N 1 3 210.365 2.154 10 0 BEAEHO Cc1ccc(CNC(C)(C)CC[NH3+])cc1 ZINC000258988959 322880787 /nfs/dbraw/zinc/88/07/87/322880787.db2.gz PDPJHGOBRGHPAO-UHFFFAOYSA-N 1 3 206.333 2.212 10 0 BEAEHO CSCCCCC[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000570441973 323059443 /nfs/dbraw/zinc/05/94/43/323059443.db2.gz IISIJEAWNHEBBA-QWHCGFSZSA-N 1 3 244.448 2.497 10 0 BEAEHO C[C@@H]([NH2+]CC1CCCC1)[C@H]1CCCNC1 ZINC000563796848 323178022 /nfs/dbraw/zinc/17/80/22/323178022.db2.gz OJHGGUUMYRUYDM-YPMHNXCESA-N 1 3 210.365 2.154 10 0 BEAEHO C[C@H]([NH2+]C[C@@H]1CCCSC1)[C@H]1CCCNC1 ZINC000566672541 326072397 /nfs/dbraw/zinc/07/23/97/326072397.db2.gz CXQCNJIMHAXBAS-AVGNSLFASA-N 1 3 242.432 2.107 10 0 BEAEHO CC(C)[C@@H](C)N1CCC([NH2+]CC2CC2)CC1 ZINC000168532992 487515877 /nfs/dbraw/zinc/51/58/77/487515877.db2.gz JOBZIPIAQZTREO-GFCCVEGCSA-N 1 3 224.392 2.495 10 0 BEAEHO C[N@H+](CCC1CCC1)[C@@H]1CCCNCC1 ZINC000398722609 488223475 /nfs/dbraw/zinc/22/34/75/488223475.db2.gz QEYVRZUVDWIHLR-CYBMUJFWSA-N 1 3 210.365 2.251 10 0 BEAEHO C[N@@H+](CCC1CCC1)[C@@H]1CCCNCC1 ZINC000398722609 488223479 /nfs/dbraw/zinc/22/34/79/488223479.db2.gz QEYVRZUVDWIHLR-CYBMUJFWSA-N 1 3 210.365 2.251 10 0 BEAEHO CCC[C@H](C)[N@@H+]1CCCC12CCNCC2 ZINC000757126771 582501620 /nfs/dbraw/zinc/50/16/20/582501620.db2.gz GZWIFCKGUNYTAK-LBPRGKRZSA-N 1 3 210.365 2.393 10 0 BEAEHO CCC[C@H](C)[N@H+]1CCCC12CCNCC2 ZINC000757126771 582501622 /nfs/dbraw/zinc/50/16/22/582501622.db2.gz GZWIFCKGUNYTAK-LBPRGKRZSA-N 1 3 210.365 2.393 10 0 BEAEHO CC(C)CN[C@@H]1c2ccccc2[C@@H]2C[NH2+]C[C@H]21 ZINC000503713213 528067901 /nfs/dbraw/zinc/06/79/01/528067901.db2.gz VFTINDXPLPKLQE-RRFJBIMHSA-N 1 3 230.355 2.290 10 0 BEAEHO CC(C)CN[C@@H]1c2ccccc2[C@H]2C[NH2+]C[C@@H]21 ZINC000503713207 528067920 /nfs/dbraw/zinc/06/79/20/528067920.db2.gz VFTINDXPLPKLQE-QLFBSQMISA-N 1 3 230.355 2.290 10 0 BEAEHO CCCN1CC[C@@H]([NH2+]CC(C)C)[C@@H](C)C1 ZINC000226858245 534949900 /nfs/dbraw/zinc/94/99/00/534949900.db2.gz RRNQJHWAOWCJDL-QWHCGFSZSA-N 1 3 212.381 2.352 10 0 BEAEHO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCCN ZINC000225140302 535252943 /nfs/dbraw/zinc/25/29/43/535252943.db2.gz VKULFCBPUSIAEE-AGIUHOORSA-N 1 3 212.381 2.386 10 0 BEAEHO CC(C)CN1CCC[C@@]12CC[C@@H](C)[NH2+]C2 ZINC000757124091 582499289 /nfs/dbraw/zinc/49/92/89/582499289.db2.gz BUOKJDINPYODGE-OLZOCXBDSA-N 1 3 210.365 2.249 10 0 BEAEHO CC(C)C[N@@H+]1CCC[C@@]12CC[C@@H](C)NC2 ZINC000757124091 582499290 /nfs/dbraw/zinc/49/92/90/582499290.db2.gz BUOKJDINPYODGE-OLZOCXBDSA-N 1 3 210.365 2.249 10 0 BEAEHO CC(C)C[N@H+]1CCC[C@@]12CC[C@@H](C)NC2 ZINC000757124091 582499292 /nfs/dbraw/zinc/49/92/92/582499292.db2.gz BUOKJDINPYODGE-OLZOCXBDSA-N 1 3 210.365 2.249 10 0 BEAEHO C[C@H](C1CC1)[N@@H+]1CCC[C@@]12CCCNC2 ZINC000757128036 582503231 /nfs/dbraw/zinc/50/32/31/582503231.db2.gz IOIBDOYHUDMPHC-DGCLKSJQSA-N 1 3 208.349 2.003 10 0 BEAEHO C[C@H](C1CC1)[N@H+]1CCC[C@@]12CCCNC2 ZINC000757128036 582503233 /nfs/dbraw/zinc/50/32/33/582503233.db2.gz IOIBDOYHUDMPHC-DGCLKSJQSA-N 1 3 208.349 2.003 10 0 BEAEHO C[C@H](C1CC1)N1CCC[C@@]12CCC[NH2+]C2 ZINC000757128036 582503234 /nfs/dbraw/zinc/50/32/34/582503234.db2.gz IOIBDOYHUDMPHC-DGCLKSJQSA-N 1 3 208.349 2.003 10 0 BEAEHO C[C@H](C1CC1)[N@@H+]1CCC[C@]12CCCN[C@@H]2C ZINC000757132969 582509212 /nfs/dbraw/zinc/50/92/12/582509212.db2.gz SHXNQGQFOJWUPZ-BZPMIXESSA-N 1 3 222.376 2.391 10 0 BEAEHO C[C@H](C1CC1)[N@H+]1CCC[C@]12CCCN[C@@H]2C ZINC000757132969 582509213 /nfs/dbraw/zinc/50/92/13/582509213.db2.gz SHXNQGQFOJWUPZ-BZPMIXESSA-N 1 3 222.376 2.391 10 0 BEAEHO C[C@@H]1[NH2+][C@@H](c2cccc3cc[nH]c32)CC[C@H]1N ZINC000757218276 586441883 /nfs/dbraw/zinc/44/18/83/586441883.db2.gz UUIAZCQENYZUNX-ZWKOPEQDSA-N 1 3 229.327 2.308 10 0 BEAEHO [NH3+][C@@H]1CCNC[C@@H]1c1cscc1C(F)F ZINC000757234727 586443315 /nfs/dbraw/zinc/44/33/15/586443315.db2.gz LUIPONUDDQMSTF-HZGVNTEJSA-N 1 3 232.299 2.090 10 0 BEAEHO N[C@@H]1CC[NH2+]C[C@@H]1c1cscc1C(F)F ZINC000757234727 586443316 /nfs/dbraw/zinc/44/33/16/586443316.db2.gz LUIPONUDDQMSTF-HZGVNTEJSA-N 1 3 232.299 2.090 10 0 BEAEHO C[C@H](C[NH2+]CCc1ccccc1)CN(C)C ZINC000309727252 632661895 /nfs/dbraw/zinc/66/18/95/632661895.db2.gz DKDFMODONAWRQF-CYBMUJFWSA-N 1 3 220.360 2.016 10 0 BEAEHO CC[C@H](N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)C(C)C ZINC000328572141 633779153 /nfs/dbraw/zinc/77/91/53/633779153.db2.gz UFFRBOJIUIGXHE-XNBXPENISA-N 1 3 222.376 2.007 10 0 BEAEHO CCC[N@H+](CCCNC1CC1)CC1CC1 ZINC000042491035 637273346 /nfs/dbraw/zinc/27/33/46/637273346.db2.gz XYZZPUFKWKVAGX-UHFFFAOYSA-N 1 3 210.365 2.251 10 0 BEAEHO CCC[N@@H+](CCCNC1CC1)CC1CC1 ZINC000042491035 637273351 /nfs/dbraw/zinc/27/33/51/637273351.db2.gz XYZZPUFKWKVAGX-UHFFFAOYSA-N 1 3 210.365 2.251 10 0 BEAEHO CCCC[N@H+](CCCNC1CC1)C1CC1 ZINC000042491060 637273692 /nfs/dbraw/zinc/27/36/92/637273692.db2.gz UXCADDUTBRHZCZ-UHFFFAOYSA-N 1 3 210.365 2.393 10 0 BEAEHO CCCC[N@@H+](CCCNC1CC1)C1CC1 ZINC000042491060 637273699 /nfs/dbraw/zinc/27/36/99/637273699.db2.gz UXCADDUTBRHZCZ-UHFFFAOYSA-N 1 3 210.365 2.393 10 0 BEAEHO CCCCN(CCC[NH2+]C1CC1)C1CC1 ZINC000042491060 637273707 /nfs/dbraw/zinc/27/37/07/637273707.db2.gz UXCADDUTBRHZCZ-UHFFFAOYSA-N 1 3 210.365 2.393 10 0 BEAEHO CC(C)[N@H+](CCCNC1CC1)CC1CC1 ZINC000042590338 641556156 /nfs/dbraw/zinc/55/61/56/641556156.db2.gz CCHLBNVOTDLKNU-UHFFFAOYSA-N 1 3 210.365 2.249 10 0 BEAEHO CC(C)[N@@H+](CCCNC1CC1)CC1CC1 ZINC000042590338 641556161 /nfs/dbraw/zinc/55/61/61/641556161.db2.gz CCHLBNVOTDLKNU-UHFFFAOYSA-N 1 3 210.365 2.249 10 0 BEAEHO