smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cnc(C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)c(C)c1 ZINC000724071873 710737069 /nfs/dbraw/zinc/73/70/69/710737069.db2.gz FBPYDDUBKYUGII-UONOGXRCSA-N 2 1 245.370 2.058 10 0 BEAEMP C[C@@H]1C[N@@H+](CC2CCCC2)CC[C@@H]1C[NH3+] ZINC000133086706 710968362 /nfs/dbraw/zinc/96/83/62/710968362.db2.gz PZPJIZOQRIANKW-DGCLKSJQSA-N 2 1 210.365 2.093 10 0 BEAEMP C[C@H]1C[N@@H+](CCC(C)(C)C)CC[C@@H]1C[NH3+] ZINC000133084249 711558889 /nfs/dbraw/zinc/55/88/89/711558889.db2.gz MNOXUMAHZZXGNV-NWDGAFQWSA-N 2 1 212.381 2.339 10 0 BEAEMP CCC1([NH3+])CCN(c2cccc(C)[nH+]2)CC1 ZINC000714752446 712497433 /nfs/dbraw/zinc/49/74/33/712497433.db2.gz RHHPZKJWAHAVKN-UHFFFAOYSA-N 2 1 219.332 2.098 10 0 BEAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC[C@@H]3C[C@H]3C3CC3)C[C@@H]12 ZINC000714847566 712502055 /nfs/dbraw/zinc/50/20/55/712502055.db2.gz CXNHTQZAIQPZMN-UXXRCYHCSA-N 2 1 234.387 2.092 10 0 BEAEMP [NH3+][C@H]1C[C@H](CNc2[nH+]ccc3ccccc32)C1 ZINC000715082083 712507210 /nfs/dbraw/zinc/50/72/10/712507210.db2.gz NWLIJPCNWLQKMN-UMSPYCQHSA-N 2 1 227.311 2.384 10 0 BEAEMP C[N@H+]1CCC[C@@H](C[NH2+]CCCC(F)(F)F)C1 ZINC000123592219 961365288 /nfs/dbraw/zinc/36/52/88/961365288.db2.gz KDWUBBSIAJCQIP-JTQLQIEISA-N 2 1 238.297 2.260 10 0 BEAEMP CC(C)[N@H+]1CC[C@H]([NH3+])C12CCC(C)CC2 ZINC000685954157 538899424 /nfs/dbraw/zinc/89/94/24/538899424.db2.gz LNZDWRJOCUOREM-CPCZMJQVSA-N 2 1 210.365 2.377 10 0 BEAEMP CC(C)[N@H+]1CC[C@H]([NH3+])[C@@]12CCCC[C@H]2C ZINC000685952772 538896834 /nfs/dbraw/zinc/89/68/34/538896834.db2.gz CUAIQZBKRPFHCF-AGIUHOORSA-N 2 1 210.365 2.377 10 0 BEAEMP CC(C)c1ccc([C@@H]2C[NH2+]C[C@]2(C)[NH3+])cc1 ZINC000685965885 538912470 /nfs/dbraw/zinc/91/24/70/538912470.db2.gz XXUKHTJOCHAUOP-KBPBESRZSA-N 2 1 218.344 2.214 10 0 BEAEMP Cc1cc(C[NH2+]C[C@H]2CC[N@H+](C)C2)c(C)s1 ZINC000049686696 178024217 /nfs/dbraw/zinc/02/42/17/178024217.db2.gz XIDDBEJZAZIJHQ-GFCCVEGCSA-N 2 1 238.400 2.406 10 0 BEAEMP Fc1ccc(C[NH2+]C[C@H]2CC[NH2+]C2)c(Cl)c1 ZINC000398342403 398339992 /nfs/dbraw/zinc/33/99/92/398339992.db2.gz HHXMPMYADWLJLW-VIFPVBQESA-N 2 1 242.725 2.178 10 0 BEAEMP C[C@@H]1CC[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000211941822 343017178 /nfs/dbraw/zinc/01/71/78/343017178.db2.gz VXNXCXPREGVHLD-GFCCVEGCSA-N 2 1 230.355 2.174 10 0 BEAEMP C[C@H]1CCC[N@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000211943736 343017328 /nfs/dbraw/zinc/01/73/28/343017328.db2.gz SKFLXHAZRNMENM-LBPRGKRZSA-N 2 1 230.355 2.317 10 0 BEAEMP CC[NH+]1CCC([NH2+][C@H](C)C2(C)CC2)CC1 ZINC000038098039 343063563 /nfs/dbraw/zinc/06/35/63/343063563.db2.gz AKNPVAMWWKDNGJ-LLVKDONJSA-N 2 1 210.365 2.249 10 0 BEAEMP Cc1ccoc1C[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000562957083 323035057 /nfs/dbraw/zinc/03/50/57/323035057.db2.gz UAYVBEQDKOTYBZ-NEPJUHHUSA-N 2 1 222.332 2.066 10 0 BEAEMP CC(C)[N@H+](C)CCc1[nH]c2ccc(N)cc2[nH+]1 ZINC000035659119 187258393 /nfs/dbraw/zinc/25/83/93/187258393.db2.gz GRHXCAROZOYVKM-UHFFFAOYSA-N 2 1 232.331 2.028 10 0 BEAEMP CC(C)[N@@H+](C)CCc1[nH]c2ccc(N)cc2[nH+]1 ZINC000035659119 187258394 /nfs/dbraw/zinc/25/83/94/187258394.db2.gz GRHXCAROZOYVKM-UHFFFAOYSA-N 2 1 232.331 2.028 10 0 BEAEMP COc1cccc(C[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)c1 ZINC000258727445 136373841 /nfs/dbraw/zinc/37/38/41/136373841.db2.gz ISIDZKAVJZXIRQ-AWEZNQCLSA-N 2 1 248.370 2.254 10 0 BEAEMP COc1cccc(C[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)c1 ZINC000258727445 136373842 /nfs/dbraw/zinc/37/38/42/136373842.db2.gz ISIDZKAVJZXIRQ-AWEZNQCLSA-N 2 1 248.370 2.254 10 0 BEAEMP C[NH2+]Cc1ccc(C[N@H+]2CCC[C@@H]2C)cc1 ZINC000052376052 187271706 /nfs/dbraw/zinc/27/17/06/187271706.db2.gz PDCDIDARNMGRGP-LBPRGKRZSA-N 2 1 218.344 2.390 10 0 BEAEMP CC(C)=CC[NH+]1CCC([NH2+][C@@H]2C[C@@H]2C)CC1 ZINC000052274475 187271406 /nfs/dbraw/zinc/27/14/06/187271406.db2.gz AHTNDRQGIWUOSE-GXTWGEPZSA-N 2 1 222.376 2.415 10 0 BEAEMP C[C@@H]1[C@H]2C[N@@H+](C)C[C@@H]2C[NH+]1Cc1ccccc1 ZINC000409431591 343824214 /nfs/dbraw/zinc/82/42/14/343824214.db2.gz RJPWPILRMFONAL-BPLDGKMQSA-N 2 1 230.355 2.069 10 0 BEAEMP C[C@@H]1[C@H]2C[NH+](C)C[C@@H]2C[N@@H+]1Cc1ccccc1 ZINC000409431591 343824216 /nfs/dbraw/zinc/82/42/16/343824216.db2.gz RJPWPILRMFONAL-BPLDGKMQSA-N 2 1 230.355 2.069 10 0 BEAEMP C[C@@H]1[C@H]2C[NH+](C)C[C@@H]2C[N@H+]1Cc1ccccc1 ZINC000409431591 343824218 /nfs/dbraw/zinc/82/42/18/343824218.db2.gz RJPWPILRMFONAL-BPLDGKMQSA-N 2 1 230.355 2.069 10 0 BEAEMP C[C@@H]1[C@@H]2C[N@@H+](C)C[C@H]2C[NH+]1Cc1ccccc1 ZINC000409431594 343824255 /nfs/dbraw/zinc/82/42/55/343824255.db2.gz RJPWPILRMFONAL-SNPRPXQTSA-N 2 1 230.355 2.069 10 0 BEAEMP C[C@@H]1[C@@H]2C[NH+](C)C[C@H]2C[N@@H+]1Cc1ccccc1 ZINC000409431594 343824257 /nfs/dbraw/zinc/82/42/57/343824257.db2.gz RJPWPILRMFONAL-SNPRPXQTSA-N 2 1 230.355 2.069 10 0 BEAEMP C[C@@H]1[C@@H]2C[NH+](C)C[C@H]2C[N@H+]1Cc1ccccc1 ZINC000409431594 343824259 /nfs/dbraw/zinc/82/42/59/343824259.db2.gz RJPWPILRMFONAL-SNPRPXQTSA-N 2 1 230.355 2.069 10 0 BEAEMP CC(F)(F)[C@@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 ZINC000409433743 343830401 /nfs/dbraw/zinc/83/04/01/343830401.db2.gz ZCLVLDDEXOKHAG-SNVBAGLBSA-N 2 1 232.318 2.106 10 0 BEAEMP c1cn2c([nH+]1)CC[C@H]([NH2+]Cc1ccsc1)C2 ZINC000309640941 343938969 /nfs/dbraw/zinc/93/89/69/343938969.db2.gz UNVWBRFMQSBFSR-NSHDSACASA-N 2 1 233.340 2.049 10 0 BEAEMP CCC[N@H+]1CC[C@H]([NH2+]CC(C)C)[C@@H](C)C1 ZINC000226858254 534958029 /nfs/dbraw/zinc/95/80/29/534958029.db2.gz RRNQJHWAOWCJDL-STQMWFEESA-N 2 1 212.381 2.352 10 0 BEAEMP CCc1[nH+]ccn1-c1ccc(C[C@H](C)[NH3+])cc1F ZINC000104295081 187292402 /nfs/dbraw/zinc/29/24/02/187292402.db2.gz BECRWDXGTIYTOX-JTQLQIEISA-N 2 1 247.317 2.464 10 0 BEAEMP CC[C@@H]([NH3+])CC[N@@H+](C)Cc1ccccc1 ZINC000127762622 344644539 /nfs/dbraw/zinc/64/45/39/344644539.db2.gz CZYNVWVBJARFSY-CYBMUJFWSA-N 2 1 206.333 2.246 10 0 BEAEMP C[C@H](c1ccc[nH]1)[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000248086863 345035843 /nfs/dbraw/zinc/03/58/43/345035843.db2.gz STGUCIUDWFWLNH-NEPJUHHUSA-N 2 1 221.348 2.007 10 0 BEAEMP C[C@H](c1ccc[nH]1)[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000248086863 345035844 /nfs/dbraw/zinc/03/58/44/345035844.db2.gz STGUCIUDWFWLNH-NEPJUHHUSA-N 2 1 221.348 2.007 10 0 BEAEMP CCOc1ccc(C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000634999848 345201352 /nfs/dbraw/zinc/20/13/52/345201352.db2.gz AQURBSVDWVUSQA-JSGCOSHPSA-N 2 1 248.370 2.112 10 0 BEAEMP CC[NH2+]CC[N@@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC000245225387 345222292 /nfs/dbraw/zinc/22/22/92/345222292.db2.gz UFUBHSPJVRCYBR-STQMWFEESA-N 2 1 210.365 2.108 10 0 BEAEMP CC[NH2+]CC[N@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC000245225387 345222294 /nfs/dbraw/zinc/22/22/94/345222294.db2.gz UFUBHSPJVRCYBR-STQMWFEESA-N 2 1 210.365 2.108 10 0 BEAEMP Cc1cccc([C@H](C)C[NH2+][C@H]2CC[NH2+]C2)c1 ZINC000215652184 345742587 /nfs/dbraw/zinc/74/25/87/345742587.db2.gz MXELIPCCEYLUOI-OCCSQVGLSA-N 2 1 218.344 2.050 10 0 BEAEMP C[N@H+](Cc1ccccc1)C[C@H]1CC[C@@H]([NH3+])C1 ZINC000227803581 346392033 /nfs/dbraw/zinc/39/20/33/346392033.db2.gz HVZGKJDOAKYJOV-UONOGXRCSA-N 2 1 218.344 2.246 10 0 BEAEMP C[N@H+](Cc1ccccc1)C[C@@H]1CCC[C@H]1C[NH3+] ZINC000250223771 362796503 /nfs/dbraw/zinc/79/65/03/362796503.db2.gz IPJQFSDRLAVHDQ-GJZGRUSLSA-N 2 1 232.371 2.493 10 0 BEAEMP CC[N@H+]1CC[C@H](C[NH3+])[C@H]1c1ccsc1 ZINC000250321182 362799523 /nfs/dbraw/zinc/79/95/23/362799523.db2.gz NELRLMCURWMTCL-KOLCDFICSA-N 2 1 210.346 2.090 10 0 BEAEMP CC[N@H+]1CC[C@@H](C[NH3+])[C@H]1c1cccs1 ZINC000250346048 362799571 /nfs/dbraw/zinc/79/95/71/362799571.db2.gz QLFKYTPQXNLPEE-ONGXEEELSA-N 2 1 210.346 2.090 10 0 BEAEMP C[N@H+]1CCC[C@@H](C[NH3+])[C@H]1c1ccsc1 ZINC000250566236 362810556 /nfs/dbraw/zinc/81/05/56/362810556.db2.gz DGYQZTOEKOLBBM-ONGXEEELSA-N 2 1 210.346 2.090 10 0 BEAEMP C[C@@H]1C[N@H+]([C@H]2CCCC[C@H]2C)C[C@@]1(C)C[NH3+] ZINC000380817254 347339648 /nfs/dbraw/zinc/33/96/48/347339648.db2.gz LMEIFBBFQPOTOP-YIYPIFLZSA-N 2 1 224.392 2.482 10 0 BEAEMP CC[C@H](C)C[NH2+]C[C@@H](C)[NH+](CC)CC ZINC000133521484 136750204 /nfs/dbraw/zinc/75/02/04/136750204.db2.gz WGTJHKIPXMENRT-NWDGAFQWSA-N 2 1 200.370 2.352 10 0 BEAEMP Cc1ccccc1[C@H](C)[N@H+]1CCC[NH2+]CC1 ZINC000022100908 179334353 /nfs/dbraw/zinc/33/43/53/179334353.db2.gz WJUIMHAJTSIFDX-ZDUSSCGKSA-N 2 1 218.344 2.351 10 0 BEAEMP Cc1ccccc1[C@H]([C@H](C)[NH3+])[NH+]1CCCC1 ZINC000043033264 179346688 /nfs/dbraw/zinc/34/66/88/179346688.db2.gz WAFPXFYLPSMKFY-JSGCOSHPSA-N 2 1 218.344 2.479 10 0 BEAEMP Cc1cccnc1C[N@H+]1CC[C@@H](C[NH2+]C(C)C)C1 ZINC000071344233 179374969 /nfs/dbraw/zinc/37/49/69/179374969.db2.gz GLGRXGVUWHBCIT-AWEZNQCLSA-N 2 1 247.386 2.210 10 0 BEAEMP Cc1cccnc1C[N@@H+]1CC[C@@H](C[NH2+]C(C)C)C1 ZINC000071344233 179374971 /nfs/dbraw/zinc/37/49/71/179374971.db2.gz GLGRXGVUWHBCIT-AWEZNQCLSA-N 2 1 247.386 2.210 10 0 BEAEMP Cc1cccnc1C[N@@H+]1CC[C@H](C)[NH2+]C[C@H](C)C1 ZINC000071345081 179377421 /nfs/dbraw/zinc/37/74/21/179377421.db2.gz KSHXTMXWOINATJ-JSGCOSHPSA-N 2 1 247.386 2.210 10 0 BEAEMP Cc1ccc[nH+]c1N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000051041289 179396521 /nfs/dbraw/zinc/39/65/21/179396521.db2.gz SANSQQDBIASHKE-NWDGAFQWSA-N 2 1 219.332 2.190 10 0 BEAEMP CC[NH2+][C@H]1CC[N@@H+]2CCc3ccccc3[C@H]2C1 ZINC000250633275 349177722 /nfs/dbraw/zinc/17/77/22/349177722.db2.gz LSNIROKWVXXRJK-DZGCQCFKSA-N 2 1 230.355 2.358 10 0 BEAEMP CC[NH2+][C@H]1CC[N@H+]2CCc3ccccc3[C@H]2C1 ZINC000250633275 349177726 /nfs/dbraw/zinc/17/77/26/349177726.db2.gz LSNIROKWVXXRJK-DZGCQCFKSA-N 2 1 230.355 2.358 10 0 BEAEMP C[N@H+]1CCC[C@@H](C[NH3+])[C@@H]1c1ccccc1 ZINC000068590139 191002512 /nfs/dbraw/zinc/00/25/12/191002512.db2.gz XORZBVQTSUNZOY-STQMWFEESA-N 2 1 204.317 2.028 10 0 BEAEMP Cc1[nH]c2ccc(N[C@@H]3CCC[N@H+](C)C3)cc2[nH+]1 ZINC000075184395 180095850 /nfs/dbraw/zinc/09/58/50/180095850.db2.gz STLXGWQEALCTGQ-GFCCVEGCSA-N 2 1 244.342 2.377 10 0 BEAEMP Cc1[nH+]ccn1-c1cc(C[NH2+]CC(C)C)ccn1 ZINC000051490998 180229314 /nfs/dbraw/zinc/22/93/14/180229314.db2.gz VQBMBIZKXWFTLA-UHFFFAOYSA-N 2 1 244.342 2.321 10 0 BEAEMP Cc1[nH+]ccn1[C@H](C)C[NH2+]C1CCCC1 ZINC000053500420 180272554 /nfs/dbraw/zinc/27/25/54/180272554.db2.gz QVEKGHHXZSSDIN-SNVBAGLBSA-N 2 1 207.321 2.285 10 0 BEAEMP Cc1[nH+]ccn1[C@H](C)[C@H]([NH3+])c1ccccc1 ZINC000023067763 180271680 /nfs/dbraw/zinc/27/16/80/180271680.db2.gz JKRGFVMYJNGOCQ-MFKMUULPSA-N 2 1 215.300 2.453 10 0 BEAEMP Cc1[nH+]ccn1[C@H](C[NH3+])c1cccc(Cl)c1 ZINC000043016621 180271866 /nfs/dbraw/zinc/27/18/66/180271866.db2.gz VJKBENFIQUIXNG-GFCCVEGCSA-N 2 1 235.718 2.393 10 0 BEAEMP Cc1[nH+]ccn1[C@H](c1cccc(F)c1)[C@H](C)[NH3+] ZINC000042973156 180272268 /nfs/dbraw/zinc/27/22/68/180272268.db2.gz MQCRFLSXJNETHD-ZANVPECISA-N 2 1 233.290 2.267 10 0 BEAEMP Cc1[nH+]cn([C@@H]([C@@H](C)[NH3+])C(C)(C)C)c1C ZINC000051925563 180289682 /nfs/dbraw/zinc/28/96/82/180289682.db2.gz DVYJMLBASGHKHK-KCJUWKMLSA-N 2 1 209.337 2.434 10 0 BEAEMP Cc1[nH+]cn([C@H](c2ccsc2)[C@H](C)[NH3+])c1C ZINC000051925926 180289844 /nfs/dbraw/zinc/28/98/44/180289844.db2.gz NFQIHXUGFQNRAE-UFBFGSQYSA-N 2 1 235.356 2.498 10 0 BEAEMP Cc1[nH+]cn([C@@H](c2ccco2)[C@H](C)[NH3+])c1C ZINC000051925857 180290115 /nfs/dbraw/zinc/29/01/15/180290115.db2.gz WDUPEBQEOUGWGX-QPUJVOFHSA-N 2 1 219.288 2.030 10 0 BEAEMP C[N@@H+](Cc1ccc(C[NH3+])o1)Cc1ccccc1 ZINC000052417454 350991892 /nfs/dbraw/zinc/99/18/92/350991892.db2.gz CSPSMFZXBLCINB-UHFFFAOYSA-N 2 1 230.311 2.370 10 0 BEAEMP COc1cccc([C@@H]2CCC[N@H+](CC[NH3+])CC2)c1 ZINC000616627308 351107545 /nfs/dbraw/zinc/10/75/45/351107545.db2.gz HREYBTMKITUZNG-CYBMUJFWSA-N 2 1 248.370 2.223 10 0 BEAEMP COc1cccc([C@@H]2CCC[N@@H+](CC[NH3+])CC2)c1 ZINC000616627308 351107547 /nfs/dbraw/zinc/10/75/47/351107547.db2.gz HREYBTMKITUZNG-CYBMUJFWSA-N 2 1 248.370 2.223 10 0 BEAEMP Nc1ccccc1[C@H]1CCCCC[N@@H+]1CC[NH3+] ZINC000616623140 351088624 /nfs/dbraw/zinc/08/86/24/351088624.db2.gz CAMAZQLUUNDJBE-CQSZACIVSA-N 2 1 233.359 2.145 10 0 BEAEMP Nc1ccccc1[C@H]1CCCCC[N@H+]1CC[NH3+] ZINC000616623140 351088626 /nfs/dbraw/zinc/08/86/26/351088626.db2.gz CAMAZQLUUNDJBE-CQSZACIVSA-N 2 1 233.359 2.145 10 0 BEAEMP [NH3+]CC[N@@H+]1CCCCC[C@@H]1c1ccc(CO)cc1 ZINC000616623880 351090098 /nfs/dbraw/zinc/09/00/98/351090098.db2.gz KXHLFIWSZDBWKG-OAHLLOKOSA-N 2 1 248.370 2.055 10 0 BEAEMP [NH3+]CC[N@H+]1CCCCC[C@@H]1c1ccc(CO)cc1 ZINC000616623880 351090100 /nfs/dbraw/zinc/09/01/00/351090100.db2.gz KXHLFIWSZDBWKG-OAHLLOKOSA-N 2 1 248.370 2.055 10 0 BEAEMP CNc1ccccc1[C@H]1CCC[N@H+](CC[NH3+])CC1 ZINC000616628600 351098321 /nfs/dbraw/zinc/09/83/21/351098321.db2.gz NLJLDFVBBVPHHP-ZDUSSCGKSA-N 2 1 247.386 2.257 10 0 BEAEMP CNc1ccccc1[C@H]1CCC[N@@H+](CC[NH3+])CC1 ZINC000616628600 351098323 /nfs/dbraw/zinc/09/83/23/351098323.db2.gz NLJLDFVBBVPHHP-ZDUSSCGKSA-N 2 1 247.386 2.257 10 0 BEAEMP [NH3+]CC[C@@H]([NH3+])c1c(Cl)ccc(Cl)c1F ZINC000306899307 351309633 /nfs/dbraw/zinc/30/96/33/351309633.db2.gz ZWYKWUDIKUEFDH-SSDOTTSWSA-N 2 1 237.105 2.481 10 0 BEAEMP CC(C)(C[NH3+])[N@H+](Cc1ccccc1)C1CC1 ZINC000168031747 351266373 /nfs/dbraw/zinc/26/63/73/351266373.db2.gz MAFFWGFWOHMYPT-UHFFFAOYSA-N 2 1 218.344 2.388 10 0 BEAEMP CC(C)(C[NH3+])[N@@H+](Cc1ccccc1)C1CC1 ZINC000168031747 351266379 /nfs/dbraw/zinc/26/63/79/351266379.db2.gz MAFFWGFWOHMYPT-UHFFFAOYSA-N 2 1 218.344 2.388 10 0 BEAEMP c1ccc(C[N@@H+]2CC[C@H](NC3=[NH+]CCC3)C2)cc1 ZINC000307040734 351443609 /nfs/dbraw/zinc/44/36/09/351443609.db2.gz MUOCRPACUKCCJN-AWEZNQCLSA-N 2 1 243.354 2.043 10 0 BEAEMP c1ccc(C[N@H+]2CC[C@H](NC3=[NH+]CCC3)C2)cc1 ZINC000307040734 351443612 /nfs/dbraw/zinc/44/36/12/351443612.db2.gz MUOCRPACUKCCJN-AWEZNQCLSA-N 2 1 243.354 2.043 10 0 BEAEMP CCCc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH3+])cc1 ZINC000725272756 538104462 /nfs/dbraw/zinc/10/44/62/538104462.db2.gz UXVXUJLMGUSDCS-KBPBESRZSA-N 2 1 218.344 2.043 10 0 BEAEMP CC(=[NH2+])N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000307520130 352633731 /nfs/dbraw/zinc/63/37/31/352633731.db2.gz PQQYOQSQTYORES-SMDDNHRTSA-N 2 1 231.343 2.236 10 0 BEAEMP Cc1[nH+]ccn1-c1ccc(C[NH3+])cc1Cl ZINC000062793206 188013674 /nfs/dbraw/zinc/01/36/74/188013674.db2.gz XBTDQLFQIVZDAB-UHFFFAOYSA-N 2 1 221.691 2.293 10 0 BEAEMP C[N@@H+](Cc1ccccc1)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000223109913 353136485 /nfs/dbraw/zinc/13/64/85/353136485.db2.gz RGEJNWVOHDUDKB-KGLIPLIRSA-N 2 1 218.344 2.388 10 0 BEAEMP C[N@@H+](Cc1cccs1)[C@H]1CC[C@@H]([NH3+])C1 ZINC000223120564 353138160 /nfs/dbraw/zinc/13/81/60/353138160.db2.gz AMYKHTIYIGHFRH-ZJUUUORDSA-N 2 1 210.346 2.060 10 0 BEAEMP C[N@@H+](Cc1ccsc1)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000223120746 353138197 /nfs/dbraw/zinc/13/81/97/353138197.db2.gz PPDSNSFPEZEQIL-GHMZBOCLSA-N 2 1 210.346 2.060 10 0 BEAEMP CC(C)c1c[nH+]cn1C[C@H]1CCC[NH2+]C1 ZINC000082656002 188294484 /nfs/dbraw/zinc/29/44/84/188294484.db2.gz BGJDFYCDTQOREW-NSHDSACASA-N 2 1 207.321 2.006 10 0 BEAEMP Cc1ccc(C)c(C[NH2+]C[C@H]2CC[N@H+](C)C2)c1 ZINC000049256740 188298337 /nfs/dbraw/zinc/29/83/37/188298337.db2.gz ZHUDNGYJPMRLQG-CQSZACIVSA-N 2 1 232.371 2.345 10 0 BEAEMP CC(C)[N@H+](C)CC[C@@H]([NH3+])c1ccccc1 ZINC000020073243 188351880 /nfs/dbraw/zinc/35/18/80/188351880.db2.gz VBBDPXPUDTVQKQ-CYBMUJFWSA-N 2 1 206.333 2.417 10 0 BEAEMP CC(C)[N@@H+](C)CC[C@@H]([NH3+])c1ccccc1 ZINC000020073243 188351881 /nfs/dbraw/zinc/35/18/81/188351881.db2.gz VBBDPXPUDTVQKQ-CYBMUJFWSA-N 2 1 206.333 2.417 10 0 BEAEMP CCCC[N@H+]1CC[C@@H]([NH2+]C(C)C)[C@H](C)C1 ZINC000073654114 188368124 /nfs/dbraw/zinc/36/81/24/188368124.db2.gz GZFFYQUFKQSBIG-CHWSQXEVSA-N 2 1 212.381 2.495 10 0 BEAEMP CC(=[NH2+])N[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000405968865 355461263 /nfs/dbraw/zinc/46/12/63/355461263.db2.gz SXJRTVFGBFCCCF-AWEZNQCLSA-N 2 1 231.343 2.238 10 0 BEAEMP [NH2+]=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)C1CCCC1 ZINC000062993327 181199583 /nfs/dbraw/zinc/19/95/83/181199583.db2.gz MAYMVDJYHZCYKB-QWHCGFSZSA-N 2 1 235.375 2.370 10 0 BEAEMP [NH2+]=C1c2ccccc2CN1[C@@H]1CC[N@H+]2CCC[C@H]12 ZINC000049568789 181207657 /nfs/dbraw/zinc/20/76/57/181207657.db2.gz LBVVYPBMGIKTEE-ZIAGYGMSSA-N 2 1 241.338 2.064 10 0 BEAEMP C[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000086573166 538558272 /nfs/dbraw/zinc/55/82/72/538558272.db2.gz KQUGSOAGTOWYQT-YOGCLGLASA-N 2 1 208.349 2.001 10 0 BEAEMP C[C@H]1C[NH2+]C[C@H](C)C1[NH+]1CCC2(CC2)CC1 ZINC000685951138 538894399 /nfs/dbraw/zinc/89/43/99/538894399.db2.gz NZTURPUDUVBTBR-RYUDHWBXSA-N 2 1 222.376 2.106 10 0 BEAEMP C[C@@H]1C[NH2+]C[C@@H](C)C1[N@H+]1CCCC[C@H]1C ZINC000685951046 538894785 /nfs/dbraw/zinc/89/47/85/538894785.db2.gz MIQVNLQGAQUFAL-IJLUTSLNSA-N 2 1 210.365 2.105 10 0 BEAEMP CO[C@@H]1C[N@@H+](C[C@@H](C)CC(C)C)[C@@](C)(C[NH3+])C1 ZINC000630370015 364088199 /nfs/dbraw/zinc/08/81/99/364088199.db2.gz YJAYDCHHHZHORS-MELADBBJSA-N 2 1 242.407 2.107 10 0 BEAEMP [NH3+]CC1([C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000083328857 181361338 /nfs/dbraw/zinc/36/13/38/181361338.db2.gz YOKRXLVIVZAHGM-AWEZNQCLSA-N 2 1 230.355 2.390 10 0 BEAEMP CC1CCC(C[N@@H+]2CCC[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000299922716 364821610 /nfs/dbraw/zinc/82/16/10/364821610.db2.gz UGGGXFLDQWDKHS-PFSRBDOWSA-N 2 1 236.403 2.497 10 0 BEAEMP CC1CCC(C[N@H+]2CCC[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000299922716 364821619 /nfs/dbraw/zinc/82/16/19/364821619.db2.gz UGGGXFLDQWDKHS-PFSRBDOWSA-N 2 1 236.403 2.497 10 0 BEAEMP CC[N@@H+](CC(C)C)[C@H]1CCC[C@@H](C[NH3+])C1 ZINC000675054242 541433723 /nfs/dbraw/zinc/43/37/23/541433723.db2.gz QSRQVWXHDYTODZ-OLZOCXBDSA-N 2 1 212.381 2.482 10 0 BEAEMP [NH3+]CC[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000037712829 181397011 /nfs/dbraw/zinc/39/70/11/181397011.db2.gz HOBNBQHRZFJZOQ-UHFFFAOYSA-N 2 1 224.735 2.134 10 0 BEAEMP C[N@@H+]1CC[C@@H](C[NH3+])[C@H]1c1cccc(Cl)c1 ZINC000101397915 368383464 /nfs/dbraw/zinc/38/34/64/368383464.db2.gz ZIENPKRHFNGHTN-CMPLNLGQSA-N 2 1 224.735 2.292 10 0 BEAEMP C[N@H+]1CC[C@@H](C[NH3+])[C@H]1c1cccc(Cl)c1 ZINC000101397915 368383472 /nfs/dbraw/zinc/38/34/72/368383472.db2.gz ZIENPKRHFNGHTN-CMPLNLGQSA-N 2 1 224.735 2.292 10 0 BEAEMP C[N@H+]1CCC[C@@H](C[NH3+])[C@H]1c1ccccc1 ZINC000101381545 368383708 /nfs/dbraw/zinc/38/37/08/368383708.db2.gz XORZBVQTSUNZOY-QWHCGFSZSA-N 2 1 204.317 2.028 10 0 BEAEMP C[N@@H+]1CC[C@H](C[NH3+])[C@H]1c1cccc(Cl)c1 ZINC000101397922 368384239 /nfs/dbraw/zinc/38/42/39/368384239.db2.gz ZIENPKRHFNGHTN-ZYHUDNBSSA-N 2 1 224.735 2.292 10 0 BEAEMP C[N@H+]1CC[C@H](C[NH3+])[C@H]1c1cccc(Cl)c1 ZINC000101397922 368384244 /nfs/dbraw/zinc/38/42/44/368384244.db2.gz ZIENPKRHFNGHTN-ZYHUDNBSSA-N 2 1 224.735 2.292 10 0 BEAEMP CC(C)(C)[C@@H]([NH3+])C[NH2+]Cc1ccccc1 ZINC000162653905 371740957 /nfs/dbraw/zinc/74/09/57/371740957.db2.gz JJWWNURPAGGVFU-LBPRGKRZSA-N 2 1 206.333 2.150 10 0 BEAEMP CCC[C@@](C)([NH3+])C[NH2+]Cc1ccccc1 ZINC000040409851 373241249 /nfs/dbraw/zinc/24/12/49/373241249.db2.gz LLKFQUGOKPIDRT-CYBMUJFWSA-N 2 1 206.333 2.294 10 0 BEAEMP c1cc2n(c1)[C@H]1CCCC[C@@H]1[NH2+]C21CC[NH2+]CC1 ZINC000144315510 374284073 /nfs/dbraw/zinc/28/40/73/374284073.db2.gz VIIBZNSRDLMKHQ-STQMWFEESA-N 2 1 245.370 2.154 10 0 BEAEMP CCC[N@H+](C)CCc1[nH]c2ccc(N)cc2[nH+]1 ZINC000035659166 169078557 /nfs/dbraw/zinc/07/85/57/169078557.db2.gz CXDYVQJFSKVXKR-UHFFFAOYSA-N 2 1 232.331 2.029 10 0 BEAEMP CCC[N@@H+](C)CCc1[nH]c2ccc(N)cc2[nH+]1 ZINC000035659166 169078559 /nfs/dbraw/zinc/07/85/59/169078559.db2.gz CXDYVQJFSKVXKR-UHFFFAOYSA-N 2 1 232.331 2.029 10 0 BEAEMP CCC[N@H+](CC)CCc1[nH]c2ccc(N)cc2[nH+]1 ZINC000035659163 169123580 /nfs/dbraw/zinc/12/35/80/169123580.db2.gz DRPXUYSGOJPEEN-UHFFFAOYSA-N 2 1 246.358 2.420 10 0 BEAEMP CCC[N@@H+](CC)CCc1[nH]c2ccc(N)cc2[nH+]1 ZINC000035659163 169123581 /nfs/dbraw/zinc/12/35/81/169123581.db2.gz DRPXUYSGOJPEEN-UHFFFAOYSA-N 2 1 246.358 2.420 10 0 BEAEMP CCC[N@@H+](CCCCC[NH2+]CC)CCN(C)C ZINC000052544244 169153865 /nfs/dbraw/zinc/15/38/65/169153865.db2.gz GOBYUQZIBGFLKJ-UHFFFAOYSA-N 2 1 243.439 2.040 10 0 BEAEMP CCC[N@H+]1CC[C@@H]([NH+](CC)CC)[C@H](C)C1 ZINC000073654068 169206276 /nfs/dbraw/zinc/20/62/76/169206276.db2.gz XFKDNNXXXRQXHS-CHWSQXEVSA-N 2 1 212.381 2.449 10 0 BEAEMP CCC[N@H+]1CC[C@H]([NH2+]C(C)(C)C)[C@H](C)C1 ZINC000073653963 169208840 /nfs/dbraw/zinc/20/88/40/169208840.db2.gz UQUJSJQFNFSMPR-NEPJUHHUSA-N 2 1 212.381 2.495 10 0 BEAEMP c1cc2c(cc[nH+]c2C[C@H]2CCC[NH2+]C2)[nH]1 ZINC000089220623 183363834 /nfs/dbraw/zinc/36/38/34/183363834.db2.gz YOTBTKLEMRUORY-SNVBAGLBSA-N 2 1 215.300 2.105 10 0 BEAEMP CCC[NH2+]C1CC[NH+](CCc2cccnc2)CC1 ZINC000037718536 169255292 /nfs/dbraw/zinc/25/52/92/169255292.db2.gz ONBKOHBQBNMGLM-UHFFFAOYSA-N 2 1 247.386 2.088 10 0 BEAEMP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000054627123 169255561 /nfs/dbraw/zinc/25/55/61/169255561.db2.gz NPNAWPPWCJUFFO-YHWZYXNKSA-N 2 1 210.365 2.390 10 0 BEAEMP CCC[NH2+]CC[C@@H](C)[N@@H+](CC)C[C@@H]1CCCO1 ZINC000052511164 169260378 /nfs/dbraw/zinc/26/03/78/169260378.db2.gz OPPAWWQIQVFXDU-KGLIPLIRSA-N 2 1 242.407 2.266 10 0 BEAEMP CCC[NH2+]C[C@@H](C)C[N@H+](C)Cc1ccncc1 ZINC000052480896 169261397 /nfs/dbraw/zinc/26/13/97/169261397.db2.gz RQZXPEVMIHHAFK-CYBMUJFWSA-N 2 1 235.375 2.149 10 0 BEAEMP CCC[NH2+]C[C@@H](C)C[N@@H+](C)Cc1ccncc1 ZINC000052480896 169261399 /nfs/dbraw/zinc/26/13/99/169261399.db2.gz RQZXPEVMIHHAFK-CYBMUJFWSA-N 2 1 235.375 2.149 10 0 BEAEMP CCC[NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000053654598 169262038 /nfs/dbraw/zinc/26/20/38/169262038.db2.gz SIRDCSHDTFKMJH-ZDUSSCGKSA-N 2 1 212.381 2.354 10 0 BEAEMP CCC[NH2+]C[C@@H]1CC[C@@H](C[N@@H+](C)CC(C)C)O1 ZINC000052452818 169262813 /nfs/dbraw/zinc/26/28/13/169262813.db2.gz LNPBERLHCJEFHU-KBPBESRZSA-N 2 1 242.407 2.121 10 0 BEAEMP CCC[NH2+]Cc1cccnc1-n1cc[nH+]c1C ZINC000051490904 169267589 /nfs/dbraw/zinc/26/75/89/169267589.db2.gz CCSBAIIERCXDSU-UHFFFAOYSA-N 2 1 230.315 2.075 10 0 BEAEMP CCC[NH2+][C@@H](CC)C[N@H+](C)C[C@@H]1CCCOC1 ZINC000104196038 169277663 /nfs/dbraw/zinc/27/76/63/169277663.db2.gz QNOCXUDKORTGPN-KBPBESRZSA-N 2 1 242.407 2.123 10 0 BEAEMP CCC[NH2+][C@@H](CC)C[N@@H+](C)C[C@@H]1CCCOC1 ZINC000104196038 169277664 /nfs/dbraw/zinc/27/76/64/169277664.db2.gz QNOCXUDKORTGPN-KBPBESRZSA-N 2 1 242.407 2.123 10 0 BEAEMP CS[C@H]1CCCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000336460626 383951969 /nfs/dbraw/zinc/95/19/69/383951969.db2.gz OMKRDNQHACRNCX-STQMWFEESA-N 2 1 242.432 2.204 10 0 BEAEMP [NH3+][C@H]1CCCC[C@H]1[NH2+]Cc1ccc(Cl)nc1 ZINC000095072271 384343126 /nfs/dbraw/zinc/34/31/26/384343126.db2.gz CFFROILXKPQEOQ-WDEREUQCSA-N 2 1 239.750 2.095 10 0 BEAEMP C[C@@H]([NH2+]CCC[NH3+])c1ccc(F)cc1Cl ZINC000037713797 384511764 /nfs/dbraw/zinc/51/17/64/384511764.db2.gz HMPKVEUBOSADFU-MRVPVSSYSA-N 2 1 230.714 2.479 10 0 BEAEMP Cc1cc[nH+]c(N[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC000100258633 384627901 /nfs/dbraw/zinc/62/79/01/384627901.db2.gz NLOWLXKVHYWZGM-PHIMTYICSA-N 2 1 205.305 2.072 10 0 BEAEMP CC[NH+](CC)C[C@H]1C[NH2+]Cc2ccccc21 ZINC000083643677 384787472 /nfs/dbraw/zinc/78/74/72/384787472.db2.gz YRDMQJZHYFBWHU-CYBMUJFWSA-N 2 1 218.344 2.215 10 0 BEAEMP CC[NH+](CC)[C@@H](C)C[NH2+][C@H](C)CC1CC1 ZINC000127600048 384905579 /nfs/dbraw/zinc/90/55/79/384905579.db2.gz KHCOFFRSYCWJOZ-NEPJUHHUSA-N 2 1 212.381 2.495 10 0 BEAEMP c1ccc(C[N@H+]2C[C@@H]3C[NH+](C4CC4)C[C@@H]3C2)cc1 ZINC000307381769 385319967 /nfs/dbraw/zinc/31/99/67/385319967.db2.gz ZKZHQJHIHJQXOJ-GASCZTMLSA-N 2 1 242.366 2.213 10 0 BEAEMP c1ccc(C[N@@H+]2C[C@@H]3C[NH+](C4CC4)C[C@@H]3C2)cc1 ZINC000307381769 385319968 /nfs/dbraw/zinc/31/99/68/385319968.db2.gz ZKZHQJHIHJQXOJ-GASCZTMLSA-N 2 1 242.366 2.213 10 0 BEAEMP c1ccc(C[NH+]2C[C@@H]3C[N@H+](C4CC4)C[C@@H]3C2)cc1 ZINC000307381769 385319971 /nfs/dbraw/zinc/31/99/71/385319971.db2.gz ZKZHQJHIHJQXOJ-GASCZTMLSA-N 2 1 242.366 2.213 10 0 BEAEMP c1ccc(C[NH+]2C[C@@H]3C[N@@H+](C4CC4)C[C@@H]3C2)cc1 ZINC000307381769 385319975 /nfs/dbraw/zinc/31/99/75/385319975.db2.gz ZKZHQJHIHJQXOJ-GASCZTMLSA-N 2 1 242.366 2.213 10 0 BEAEMP C[N@H+](Cc1ccccc1)[C@@H]1CCCC[C@H]1[NH3+] ZINC000040449156 386199497 /nfs/dbraw/zinc/19/94/97/386199497.db2.gz FTAQCJUQTAEZTC-ZIAGYGMSSA-N 2 1 218.344 2.388 10 0 BEAEMP C[N@@H+](Cc1ccccc1)[C@@H]1CCCC[C@H]1[NH3+] ZINC000040449156 386199504 /nfs/dbraw/zinc/19/95/04/386199504.db2.gz FTAQCJUQTAEZTC-ZIAGYGMSSA-N 2 1 218.344 2.388 10 0 BEAEMP C[N@@H+](Cc1ccccc1)C[C@]1(C)CC[NH2+]C1 ZINC000062910820 386531199 /nfs/dbraw/zinc/53/11/99/386531199.db2.gz MMDYFQJVKBGXPF-CQSZACIVSA-N 2 1 218.344 2.118 10 0 BEAEMP C[N@H+](Cc1ccc(F)cc1)C[C@]1(C)CC[NH2+]C1 ZINC000062911534 386533049 /nfs/dbraw/zinc/53/30/49/386533049.db2.gz XAUSFIGJHDOOQC-CQSZACIVSA-N 2 1 236.334 2.257 10 0 BEAEMP C[N@@H+](Cc1ccc(F)cc1)C[C@]1(C)CC[NH2+]C1 ZINC000062911534 386533053 /nfs/dbraw/zinc/53/30/53/386533053.db2.gz XAUSFIGJHDOOQC-CQSZACIVSA-N 2 1 236.334 2.257 10 0 BEAEMP C[N@H+](Cc1cccs1)C[C@@]1(C)CC[NH2+]C1 ZINC000062911173 386655250 /nfs/dbraw/zinc/65/52/50/386655250.db2.gz IKAFWKFDWVTRJE-LBPRGKRZSA-N 2 1 224.373 2.180 10 0 BEAEMP C[N@@H+](Cc1cccs1)C[C@@]1(C)CC[NH2+]C1 ZINC000062911173 386655251 /nfs/dbraw/zinc/65/52/51/386655251.db2.gz IKAFWKFDWVTRJE-LBPRGKRZSA-N 2 1 224.373 2.180 10 0 BEAEMP CC[C@@H](C)C[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000336743737 386780476 /nfs/dbraw/zinc/78/04/76/386780476.db2.gz UFJGLBIVKYYHCQ-VXGBXAGGSA-N 2 1 221.348 2.081 10 0 BEAEMP Fc1cc(Cl)ccc1C[NH2+]C[C@H]1CC[NH2+]C1 ZINC000398385467 386816287 /nfs/dbraw/zinc/81/62/87/386816287.db2.gz WMFHLYNKRBMYOW-VIFPVBQESA-N 2 1 242.725 2.178 10 0 BEAEMP CC(C)CC1([N@@H+](C)C(C)C)CC[NH2+]CC1 ZINC000536952983 387164920 /nfs/dbraw/zinc/16/49/20/387164920.db2.gz GIBCFHOGOVFUHJ-UHFFFAOYSA-N 2 1 212.381 2.495 10 0 BEAEMP CC(C)(CC[NH2+][C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000643463548 387350443 /nfs/dbraw/zinc/35/04/43/387350443.db2.gz CQFMRJXFISWVJJ-CQSZACIVSA-N 2 1 232.371 2.306 10 0 BEAEMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@@H]1CCC(C)(C)C1 ZINC000396694036 387485850 /nfs/dbraw/zinc/48/58/50/387485850.db2.gz IYBFKIZBJQQLPV-QJPTWQEYSA-N 2 1 210.365 2.295 10 0 BEAEMP C[C@H]1[N@H+](Cc2ccccc2)CC[C@@]1([NH3+])C1CC1 ZINC000575568788 387730712 /nfs/dbraw/zinc/73/07/12/387730712.db2.gz OGUWHMQSYNAZPZ-DOMZBBRYSA-N 2 1 230.355 2.388 10 0 BEAEMP C[C@H]1[N@@H+](Cc2ccccc2)CC[C@@]1([NH3+])C1CC1 ZINC000575568788 387730717 /nfs/dbraw/zinc/73/07/17/387730717.db2.gz OGUWHMQSYNAZPZ-DOMZBBRYSA-N 2 1 230.355 2.388 10 0 BEAEMP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccs1 ZINC000040749285 387794905 /nfs/dbraw/zinc/79/49/05/387794905.db2.gz AMPQSVNWFILAJD-FGWVZKOKSA-N 2 1 222.357 2.202 10 0 BEAEMP C[C@@H]([NH3+])CC[NH2+]Cc1ccsc1Cl ZINC000312742309 256528069 /nfs/dbraw/zinc/52/80/69/256528069.db2.gz HDWMBHOYEPULND-SSDOTTSWSA-N 2 1 218.753 2.228 10 0 BEAEMP Cc1ccc2cc[nH+]c(NCCC[NH3+])c2c1 ZINC000082765884 388587845 /nfs/dbraw/zinc/58/78/45/388587845.db2.gz PFDPTFNVDMQXBW-UHFFFAOYSA-N 2 1 215.300 2.304 10 0 BEAEMP Cc1ccc(C[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)o1 ZINC000328626510 388739470 /nfs/dbraw/zinc/73/94/70/388739470.db2.gz FDVYFNRCHALUMJ-LBPRGKRZSA-N 2 1 245.326 2.137 10 0 BEAEMP Cc1ccc(C[NH2+]C[C@H]2CCc3[nH+]ccn3C2)o1 ZINC000328626508 388739889 /nfs/dbraw/zinc/73/98/89/388739889.db2.gz FDVYFNRCHALUMJ-GFCCVEGCSA-N 2 1 245.326 2.137 10 0 BEAEMP C[NH+](C)C1CC[NH+](C[C@@H]2CCCC2(F)F)CC1 ZINC000336192235 134123865 /nfs/dbraw/zinc/12/38/65/134123865.db2.gz HOYXCIQAECRVHL-NSHDSACASA-N 2 1 246.345 2.448 10 0 BEAEMP Cc1nccn1C[C@@H]1CCC[N@H+]1C1CCC1 ZINC000179583376 134322164 /nfs/dbraw/zinc/32/21/64/134322164.db2.gz FXNXOJMQGIXXLD-ZDUSSCGKSA-N 2 1 219.332 2.208 10 0 BEAEMP CC1CCC(C[N@H+]2C[C@H]3CCC[NH2+][C@@H]3C2)CC1 ZINC000221432420 134324594 /nfs/dbraw/zinc/32/45/94/134324594.db2.gz KKYAMEVBVGJCDL-NEXFUWMNSA-N 2 1 236.403 2.497 10 0 BEAEMP CCC[C@@H]1C[C@@H]1[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000252732457 135104671 /nfs/dbraw/zinc/10/46/71/135104671.db2.gz VDUPWUSEVQNAQH-MQYQWHSLSA-N 2 1 224.392 2.495 10 0 BEAEMP [NH3+]C[C@H]1CCC[N@@H+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC000261538158 135175534 /nfs/dbraw/zinc/17/55/34/135175534.db2.gz JYNKNPGEKVJAPV-VXGBXAGGSA-N 2 1 246.345 2.483 10 0 BEAEMP C[C@H]([NH3+])[C@H]1CC[N@@H+](C[C@H]2CCCC(F)(F)C2)C1 ZINC000261538299 135175745 /nfs/dbraw/zinc/17/57/45/135175745.db2.gz XHEVUKUFKDFWSI-SRVKXCTJSA-N 2 1 246.345 2.481 10 0 BEAEMP [NH3+]C[C@H]1CCC[N@@H+](C[C@H]2CCCC(F)(F)C2)C1 ZINC000261538156 135175850 /nfs/dbraw/zinc/17/58/50/135175850.db2.gz JYNKNPGEKVJAPV-NWDGAFQWSA-N 2 1 246.345 2.483 10 0 BEAEMP C[C@H](c1ccccn1)[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261542717 135183250 /nfs/dbraw/zinc/18/32/50/135183250.db2.gz CJTHWMPULDOHPD-DGCLKSJQSA-N 2 1 233.359 2.202 10 0 BEAEMP C[C@H](c1ccccn1)[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261542717 135183252 /nfs/dbraw/zinc/18/32/52/135183252.db2.gz CJTHWMPULDOHPD-DGCLKSJQSA-N 2 1 233.359 2.202 10 0 BEAEMP CC1(C)C[N@@H+](CCOc2ccccc2)CC[C@@H]1[NH3+] ZINC000261591783 135232432 /nfs/dbraw/zinc/23/24/32/135232432.db2.gz XZNGWVIFBOUEIE-AWEZNQCLSA-N 2 1 248.370 2.125 10 0 BEAEMP CC1(C)C[N@@H+](CCOc2ccccc2)CC[C@H]1[NH3+] ZINC000261591784 135232803 /nfs/dbraw/zinc/23/28/03/135232803.db2.gz XZNGWVIFBOUEIE-CQSZACIVSA-N 2 1 248.370 2.125 10 0 BEAEMP CC1CCC(C[N@@H+]2C[C@@H]3[NH2+]CCC[C@H]3C2)CC1 ZINC000299918632 135381704 /nfs/dbraw/zinc/38/17/04/135381704.db2.gz KKYAMEVBVGJCDL-WUCCLRPBSA-N 2 1 236.403 2.497 10 0 BEAEMP CC(C)[NH2+]CC[N@H+](C)CC1CCCCC1 ZINC000042318270 167103165 /nfs/dbraw/zinc/10/31/65/167103165.db2.gz JIVSVSQCTGDRME-UHFFFAOYSA-N 2 1 212.381 2.497 10 0 BEAEMP CC(C)[NH2+]CC[N@@H+](C)CC1CCCCC1 ZINC000042318270 167103167 /nfs/dbraw/zinc/10/31/67/167103167.db2.gz JIVSVSQCTGDRME-UHFFFAOYSA-N 2 1 212.381 2.497 10 0 BEAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCCC3CCC3)C[C@@H]12 ZINC000662266472 409564224 /nfs/dbraw/zinc/56/42/24/409564224.db2.gz MDCDQXZFVRURQQ-MGPQQGTHSA-N 2 1 222.376 2.236 10 0 BEAEMP C[C@H](C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1)C(C)(C)C ZINC000309270010 410690084 /nfs/dbraw/zinc/69/00/84/410690084.db2.gz CYIAPCIJSFJGBQ-VOAKCMCISA-N 2 1 224.392 2.338 10 0 BEAEMP CC(C)C[NH2+]CCC[N@H+](C)CCc1ccccn1 ZINC000052423827 167003584 /nfs/dbraw/zinc/00/35/84/167003584.db2.gz FGYVXSCDJBQULZ-UHFFFAOYSA-N 2 1 249.402 2.192 10 0 BEAEMP CC(C)C[NH2+]CCC[N@@H+](C)CCc1ccccn1 ZINC000052423827 167003589 /nfs/dbraw/zinc/00/35/89/167003589.db2.gz FGYVXSCDJBQULZ-UHFFFAOYSA-N 2 1 249.402 2.192 10 0 BEAEMP CC(C)[NH2+]CCC[C@H](C)[N@@H+](C)CCC[NH+](C)C ZINC000104198360 167101697 /nfs/dbraw/zinc/10/16/97/167101697.db2.gz QSPPBBIUTUAJDS-AWEZNQCLSA-N 3 1 243.439 2.037 10 0 BEAEMP CC(C)[NH2+]CCC[C@H](C)[N@H+](C)CCCN(C)C ZINC000104198360 167101699 /nfs/dbraw/zinc/10/16/99/167101699.db2.gz QSPPBBIUTUAJDS-AWEZNQCLSA-N 2 1 243.439 2.037 10 0 BEAEMP CC(C)[NH2+]CCC[C@H](C)[N@@H+](C)CCCN(C)C ZINC000104198360 167101703 /nfs/dbraw/zinc/10/17/03/167101703.db2.gz QSPPBBIUTUAJDS-AWEZNQCLSA-N 2 1 243.439 2.037 10 0 BEAEMP CC(C)[NH2+]C[C@@H]1CC[N@H+](C(C2CC2)C2CC2)C1 ZINC000053031984 167113534 /nfs/dbraw/zinc/11/35/34/167113534.db2.gz CQQSVFBNSHXSDR-LBPRGKRZSA-N 2 1 236.403 2.495 10 0 BEAEMP CC(C)OCC[N@@H+](CCC[NH3+])C1CCCCC1 ZINC000049259236 167229194 /nfs/dbraw/zinc/22/91/94/167229194.db2.gz WAAKDQCJFGHCDJ-UHFFFAOYSA-N 2 1 242.407 2.395 10 0 BEAEMP CC(C)[C@@H](C)[NH2+]C[C@H]1CCn2cc[nH+]c2C1 ZINC000309676649 167382763 /nfs/dbraw/zinc/38/27/63/167382763.db2.gz LXRYRLNODVBXEC-NEPJUHHUSA-N 2 1 221.348 2.080 10 0 BEAEMP CC1CCC([N@H+]2CCC[NH2+]C[C@H](C)C2)CC1 ZINC000049665442 168159357 /nfs/dbraw/zinc/15/93/57/168159357.db2.gz YWIXDRFLWVOTHD-MOKVOYLWSA-N 2 1 224.392 2.497 10 0 BEAEMP CC[N@@H+]1CCc2nc([C@](C)([NH3+])CC)sc2C1 ZINC000041059529 170025820 /nfs/dbraw/zinc/02/58/20/170025820.db2.gz NYYBVURATATFMQ-GFCCVEGCSA-N 2 1 239.388 2.105 10 0 BEAEMP CC[N@H+]1CCc2nc([C@](C)([NH3+])CC)sc2C1 ZINC000041059529 170025821 /nfs/dbraw/zinc/02/58/21/170025821.db2.gz NYYBVURATATFMQ-GFCCVEGCSA-N 2 1 239.388 2.105 10 0 BEAEMP CC[NH2+]C[C@H](C)C[N@@H+](CCOC)C(CC)CC ZINC000052573306 170121800 /nfs/dbraw/zinc/12/18/00/170121800.db2.gz FSQPJVGYAHEPMC-ZDUSSCGKSA-N 2 1 244.423 2.369 10 0 BEAEMP CC[NH2+]C[C@](C)(CC)C[N@H+]1CCCO[C@H](C)C1 ZINC000061934179 170123341 /nfs/dbraw/zinc/12/33/41/170123341.db2.gz WJLLUEBBPWSAGC-KGLIPLIRSA-N 2 1 242.407 2.123 10 0 BEAEMP CC[NH2+]Cc1ccc(C[N@@H+]2CCO[C@@H](C)C2)cc1 ZINC000052382656 170126131 /nfs/dbraw/zinc/12/61/31/170126131.db2.gz XNSJPXPIPNTDKW-ZDUSSCGKSA-N 2 1 248.370 2.017 10 0 BEAEMP CC[NH2+]Cc1ccc(C[N@H+]2CCO[C@@H](C)C2)cc1 ZINC000052382656 170126132 /nfs/dbraw/zinc/12/61/32/170126132.db2.gz XNSJPXPIPNTDKW-ZDUSSCGKSA-N 2 1 248.370 2.017 10 0 BEAEMP CC[NH2+]Cc1cccc(C[N@@H+]2CCOC[C@@H]2C)c1 ZINC000052475773 170128412 /nfs/dbraw/zinc/12/84/12/170128412.db2.gz FISRQKKVXRBPDS-ZDUSSCGKSA-N 2 1 248.370 2.017 10 0 BEAEMP CC[NH2+]Cc1cccc(C[N@H+]2CCOC[C@@H]2C)c1 ZINC000052475773 170128415 /nfs/dbraw/zinc/12/84/15/170128415.db2.gz FISRQKKVXRBPDS-ZDUSSCGKSA-N 2 1 248.370 2.017 10 0 BEAEMP CC[NH2+][C@@H]1CCCC[C@H]1[N@H+](CC)CCOCC ZINC000104186839 170150856 /nfs/dbraw/zinc/15/08/56/170150856.db2.gz LHNZEZRVQBDBII-ZIAGYGMSSA-N 2 1 242.407 2.266 10 0 BEAEMP CC[NH2+][C@@H]1CCCC[C@H]1[N@@H+](CC)CCOCC ZINC000104186839 170150858 /nfs/dbraw/zinc/15/08/58/170150858.db2.gz LHNZEZRVQBDBII-ZIAGYGMSSA-N 2 1 242.407 2.266 10 0 BEAEMP CC[NH2+][C@@H]1CCC[C@H]1C[N@H+]1CCCSCC1 ZINC000053879673 170151684 /nfs/dbraw/zinc/15/16/84/170151684.db2.gz ODULMMFCECUKQI-QWHCGFSZSA-N 2 1 242.432 2.204 10 0 BEAEMP CC[NH2+][C@@H]1CCC[C@H]1C[N@@H+](CC)CCOCC ZINC000104190892 170151792 /nfs/dbraw/zinc/15/17/92/170151792.db2.gz KWPLJDWRAPAYKO-UONOGXRCSA-N 2 1 242.407 2.123 10 0 BEAEMP CC[NH2+][C@H]1CCC[C@@H]1C[N@@H+](CC)CCOCC ZINC000104190888 170166408 /nfs/dbraw/zinc/16/64/08/170166408.db2.gz KWPLJDWRAPAYKO-KGLIPLIRSA-N 2 1 242.407 2.123 10 0 BEAEMP CC[NH2+][C@H]1CCC[C@H]1C[N@@H+](CC)[C@@H](C)COC ZINC000053871462 170167306 /nfs/dbraw/zinc/16/73/06/170167306.db2.gz GZCNVJYWNPIWAY-IHRRRGAJSA-N 2 1 242.407 2.121 10 0 BEAEMP CCOCCC[NH2+]C[C@H](C)n1c[nH+]c(C)c1C ZINC000053535628 170380651 /nfs/dbraw/zinc/38/06/51/170380651.db2.gz KBSVVLNCVMWQKL-NSHDSACASA-N 2 1 239.363 2.077 10 0 BEAEMP CC[C@H](CC(F)F)C[N@@H+]1CCC[C@H]1C[NH3+] ZINC000662246339 412042977 /nfs/dbraw/zinc/04/29/77/412042977.db2.gz SNBQWSCNHOJCEY-ZJUUUORDSA-N 2 1 220.307 2.091 10 0 BEAEMP CC[C@H](CC(F)F)C[N@H+]1CCC[C@H]1C[NH3+] ZINC000662246339 412042980 /nfs/dbraw/zinc/04/29/80/412042980.db2.gz SNBQWSCNHOJCEY-ZJUUUORDSA-N 2 1 220.307 2.091 10 0 BEAEMP CC(C)=CCC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000662267119 412057402 /nfs/dbraw/zinc/05/74/02/412057402.db2.gz SDZVVDJHDWFSIV-RWMBFGLXSA-N 2 1 208.349 2.012 10 0 BEAEMP CC[C@@H]1CC[N@@H+](CC(C)(C)C)CCC[NH2+]1 ZINC000049667073 171008524 /nfs/dbraw/zinc/00/85/24/171008524.db2.gz SDVQWYSBBJDUJD-GFCCVEGCSA-N 2 1 212.381 2.497 10 0 BEAEMP CC[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H](C)C[NH2+]1 ZINC000049666514 171012567 /nfs/dbraw/zinc/01/25/67/171012567.db2.gz CYDIQGXCKJLDPA-ZIAGYGMSSA-N 2 1 247.386 2.292 10 0 BEAEMP CC[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H](C)C[NH2+]1 ZINC000049666514 171012568 /nfs/dbraw/zinc/01/25/68/171012568.db2.gz CYDIQGXCKJLDPA-ZIAGYGMSSA-N 2 1 247.386 2.292 10 0 BEAEMP CC[C@@H]1COCC[N@H+]1CCC[C@@H]1CCCC[NH2+]1 ZINC000050952759 171105497 /nfs/dbraw/zinc/10/54/97/171105497.db2.gz YJDRAMHRHKNLSR-UONOGXRCSA-N 2 1 240.391 2.020 10 0 BEAEMP CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccccc1C[NH3+] ZINC000036128040 171110331 /nfs/dbraw/zinc/11/03/31/171110331.db2.gz VQVFWUADTYGLOM-SWLSCSKDSA-N 2 1 248.370 2.145 10 0 BEAEMP CC[C@H](C)C[N@@H+](C)CCCOC1CC[NH2+]CC1 ZINC000104389260 171272300 /nfs/dbraw/zinc/27/23/00/171272300.db2.gz NLXHFMDYSUVXQS-ZDUSSCGKSA-N 2 1 242.407 2.123 10 0 BEAEMP CC[C@H](C)C[NH2+]C[C@@H]1CCn2cc[nH+]c2C1 ZINC000309611184 171285188 /nfs/dbraw/zinc/28/51/88/171285188.db2.gz AGLSQLBWXGSCFB-NWDGAFQWSA-N 2 1 221.348 2.081 10 0 BEAEMP CC[C@H](C)[NH2+]C[C@@H](C)[N@H+](C)C[C@@H]1CCCOC1 ZINC000104188387 171340933 /nfs/dbraw/zinc/34/09/33/171340933.db2.gz ZICYQNWMHLOBEN-MJBXVCDLSA-N 2 1 242.407 2.121 10 0 BEAEMP CC[C@H](C)[NH2+]C[C@@H](C)[N@@H+](C)C[C@@H]1CCCOC1 ZINC000104188387 171340935 /nfs/dbraw/zinc/34/09/35/171340935.db2.gz ZICYQNWMHLOBEN-MJBXVCDLSA-N 2 1 242.407 2.121 10 0 BEAEMP CCc1[nH+]ccn1C[C@H]([NH3+])c1ccccc1 ZINC000042419741 172026090 /nfs/dbraw/zinc/02/60/90/172026090.db2.gz FXBVTRZAUBZWNE-LBPRGKRZSA-N 2 1 215.300 2.146 10 0 BEAEMP CCc1[nH+]ccn1Cc1cc(C)c(C[NH2+]C)o1 ZINC000052593310 172028261 /nfs/dbraw/zinc/02/82/61/172028261.db2.gz JZWYCGKXTQBVKE-UHFFFAOYSA-N 2 1 233.315 2.115 10 0 BEAEMP CCc1[nH+]ccn1[C@H](CC[NH3+])c1ccccc1 ZINC000055018269 172028810 /nfs/dbraw/zinc/02/88/10/172028810.db2.gz FCRXEAJVZOOCKA-CYBMUJFWSA-N 2 1 229.327 2.384 10 0 BEAEMP CCc1[nH+]ccn1[C@@H](C[NH3+])c1ccc(C)cc1 ZINC000042906815 172028863 /nfs/dbraw/zinc/02/88/63/172028863.db2.gz WVGBPOIEURIYDL-ZDUSSCGKSA-N 2 1 229.327 2.302 10 0 BEAEMP CCc1[nH+]ccn1[C@@H]1CCCC[C@H]1C[NH3+] ZINC000042419622 172029008 /nfs/dbraw/zinc/02/90/08/172029008.db2.gz JVWZJRRXJXKBCM-WDEREUQCSA-N 2 1 207.321 2.136 10 0 BEAEMP CCc1[nH+]ccn1[C@@H](C[NH3+])c1cccc(OC)c1 ZINC000043029004 172029507 /nfs/dbraw/zinc/02/95/07/172029507.db2.gz ZSHDDEZHCZTNSL-ZDUSSCGKSA-N 2 1 245.326 2.002 10 0 BEAEMP CCc1[nH+]ccn1[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000042962434 172029550 /nfs/dbraw/zinc/02/95/50/172029550.db2.gz JGXHCJOBIRTSQZ-ZDUSSCGKSA-N 2 1 245.326 2.002 10 0 BEAEMP CCn1cccc1C[NH2+]CCC[NH+]1CCCCC1 ZINC000091022876 172207293 /nfs/dbraw/zinc/20/72/93/172207293.db2.gz HUCZLAMRJYRERL-UHFFFAOYSA-N 2 1 249.402 2.474 10 0 BEAEMP C[N@H+](Cc1ccc(Cl)cc1)C[C@@H]1CC[NH2+]C1 ZINC000051890043 172848608 /nfs/dbraw/zinc/84/86/08/172848608.db2.gz YOPLCGZZTYOFOK-GFCCVEGCSA-N 2 1 238.762 2.381 10 0 BEAEMP C[N@H+](Cc1ccc(C[NH3+])cc1)C[C@@H]1CCCOC1 ZINC000104204444 172849724 /nfs/dbraw/zinc/84/97/24/172849724.db2.gz ZPQXVFBFNUNQOG-HNNXBMFYSA-N 2 1 248.370 2.004 10 0 BEAEMP C[N@H+]1CCC[C@@H]([C@H]([NH3+])c2ccccc2)C1 ZINC000033882197 173022906 /nfs/dbraw/zinc/02/29/06/173022906.db2.gz BINAJLITODPBLY-CHWSQXEVSA-N 2 1 204.317 2.028 10 0 BEAEMP C[N@H+]1CCC[C@H](C[NH2+]CCc2ccccc2)C1 ZINC000044535227 173042410 /nfs/dbraw/zinc/04/24/10/173042410.db2.gz BVIBDNVSZMCKPK-OAHLLOKOSA-N 2 1 232.371 2.161 10 0 BEAEMP C[N@H+]1CC[C@@H]([NH3+])[C@@H](Cc2cccc(Cl)c2)C1 ZINC000257624428 173119193 /nfs/dbraw/zinc/11/91/93/173119193.db2.gz BKXPARMUWPCNJD-WCQYABFASA-N 2 1 238.762 2.162 10 0 BEAEMP C[N@@H+]1CC[C@H](C[NH2+]Cc2ccccc2Cl)C1 ZINC000037484567 173147868 /nfs/dbraw/zinc/14/78/68/173147868.db2.gz WXWXWTBUNOZDSG-LLVKDONJSA-N 2 1 238.762 2.381 10 0 BEAEMP C[N@H+]1CC[C@H](C[NH2+]Cc2ccccc2Cl)C1 ZINC000037484567 173147870 /nfs/dbraw/zinc/14/78/70/173147870.db2.gz WXWXWTBUNOZDSG-LLVKDONJSA-N 2 1 238.762 2.381 10 0 BEAEMP C[N@@H+]1[C@@H]2CC[C@H]1CC(C[NH2+]CC(C)(C)C)C2 ZINC000041051450 173206157 /nfs/dbraw/zinc/20/61/57/173206157.db2.gz DURSZYAYLMPXGX-YHWZYXNKSA-N 2 1 224.392 2.495 10 0 BEAEMP C[NH2+]CC1(C[N@H+]2CC[C@H](C)C2)CCCCC1 ZINC000051250003 173337417 /nfs/dbraw/zinc/33/74/17/173337417.db2.gz WBXUGYIJJRHJPF-ZDUSSCGKSA-N 2 1 224.392 2.498 10 0 BEAEMP C[NH2+]CCC[NH2+]Cc1cccc(C)c1Cl ZINC000083355110 173349745 /nfs/dbraw/zinc/34/97/45/173349745.db2.gz SEVWJKZENRIAFS-UHFFFAOYSA-N 2 1 226.751 2.348 10 0 BEAEMP C[NH2+]C[C@@H](C)[NH+]1CCC(C(C)(C)C)CC1 ZINC000052373555 173364878 /nfs/dbraw/zinc/36/48/78/173364878.db2.gz JKXNYYUQSRRWIG-LLVKDONJSA-N 2 1 212.381 2.352 10 0 BEAEMP C[NH2+]C[C@H]1CC[N@@H+]([C@H](C)c2ccc(C)o2)C1 ZINC000053031950 173381843 /nfs/dbraw/zinc/38/18/43/173381843.db2.gz KMVKCQPUNKXPNI-VXGBXAGGSA-N 2 1 222.332 2.190 10 0 BEAEMP C[NH2+]C[C@H]1CC[N@H+]([C@H](C)c2ccc(C)o2)C1 ZINC000053031950 173381845 /nfs/dbraw/zinc/38/18/45/173381845.db2.gz KMVKCQPUNKXPNI-VXGBXAGGSA-N 2 1 222.332 2.190 10 0 BEAEMP C[NH2+]C[C@](C)(C[N@H+](C)C1CC1)c1ccccc1 ZINC000051215174 173383369 /nfs/dbraw/zinc/38/33/69/173383369.db2.gz XCBJOVUIEXZWJE-OAHLLOKOSA-N 2 1 232.371 2.258 10 0 BEAEMP C[NH2+]C[C@](C)(C[N@@H+](C)C1CC1)c1ccccc1 ZINC000051215174 173383371 /nfs/dbraw/zinc/38/33/71/173383371.db2.gz XCBJOVUIEXZWJE-OAHLLOKOSA-N 2 1 232.371 2.258 10 0 BEAEMP C[NH2+]Cc1cc(C[N@H+]2CC[C@H](C)C2)oc1C ZINC000052484382 173386988 /nfs/dbraw/zinc/38/69/88/173386988.db2.gz QNOWPNUQGVRLLE-JTQLQIEISA-N 2 1 222.332 2.149 10 0 BEAEMP C[NH2+]Cc1nc(C[NH+]2CCCCCC2)cs1 ZINC000052381714 173395455 /nfs/dbraw/zinc/39/54/55/173395455.db2.gz OMYMQDYDYXXHFF-UHFFFAOYSA-N 2 1 239.388 2.239 10 0 BEAEMP C[NH2+]Cc1occc1C[N@H+]1CCC[C@@H](C)C1 ZINC000052381308 173399459 /nfs/dbraw/zinc/39/94/59/173399459.db2.gz ZKOCSICHICOTGO-LLVKDONJSA-N 2 1 222.332 2.231 10 0 BEAEMP COCC[N@H+](C)C1(C[NH3+])CCC(C(C)C)CC1 ZINC000054557093 174274605 /nfs/dbraw/zinc/27/46/05/174274605.db2.gz LEOAVNDINBEUFN-UHFFFAOYSA-N 2 1 242.407 2.108 10 0 BEAEMP COCC[N@@H+](C)C1(C[NH3+])CCC(C(C)C)CC1 ZINC000054557093 174274608 /nfs/dbraw/zinc/27/46/08/174274608.db2.gz LEOAVNDINBEUFN-UHFFFAOYSA-N 2 1 242.407 2.108 10 0 BEAEMP COCC[N@H+]([C@@H](C[NH3+])C1CCCCC1)C1CC1 ZINC000042517856 174285393 /nfs/dbraw/zinc/28/53/93/174285393.db2.gz OLRBCNZBYUBKLR-AWEZNQCLSA-N 2 1 240.391 2.005 10 0 BEAEMP COCC[N@@H+]([C@@H](C[NH3+])C1CCCCC1)C1CC1 ZINC000042517856 174285394 /nfs/dbraw/zinc/28/53/94/174285394.db2.gz OLRBCNZBYUBKLR-AWEZNQCLSA-N 2 1 240.391 2.005 10 0 BEAEMP COCC[N@@H+](CC(C)C)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000042368741 174287573 /nfs/dbraw/zinc/28/75/73/174287573.db2.gz IHASKAHCLWZDAA-UONOGXRCSA-N 2 1 242.407 2.251 10 0 BEAEMP COCC[N@@H+](CC(C)C)CC1(C[NH3+])CCCC1 ZINC000051251287 174287591 /nfs/dbraw/zinc/28/75/91/174287591.db2.gz GVWFFMRAMNECCO-UHFFFAOYSA-N 2 1 242.407 2.110 10 0 BEAEMP COCC[N@H+](C[C@H]([NH3+])C(C)(C)C)[C@H](C)C1CC1 ZINC000042616200 174297762 /nfs/dbraw/zinc/29/77/62/174297762.db2.gz QHZAAOJWXORWBW-YPMHNXCESA-N 2 1 242.407 2.107 10 0 BEAEMP COCC[N@@H+](C[C@H]([NH3+])C(C)(C)C)[C@H](C)C1CC1 ZINC000042616200 174297763 /nfs/dbraw/zinc/29/77/63/174297763.db2.gz QHZAAOJWXORWBW-YPMHNXCESA-N 2 1 242.407 2.107 10 0 BEAEMP COCC[N@@H+](C[C@@H](C)C[NH2+]C(C)(C)C)C1CC1 ZINC000052542390 174298033 /nfs/dbraw/zinc/29/80/33/174298033.db2.gz YWTRNRCAURVQGP-LBPRGKRZSA-N 2 1 242.407 2.121 10 0 BEAEMP COc1ccc(C[N@H+](CC[NH3+])C2CCCC2)cc1 ZINC000032103939 175097432 /nfs/dbraw/zinc/09/74/32/175097432.db2.gz NHBGZWAUQOWDQJ-UHFFFAOYSA-N 2 1 248.370 2.399 10 0 BEAEMP COc1ccc(C[N@@H+](CC[NH3+])C2CCCC2)cc1 ZINC000032103939 175097434 /nfs/dbraw/zinc/09/74/34/175097434.db2.gz NHBGZWAUQOWDQJ-UHFFFAOYSA-N 2 1 248.370 2.399 10 0 BEAEMP COc1ccc([C@@H]([C@H](C)[NH3+])n2cc[nH+]c2C)cc1 ZINC000042962255 175182191 /nfs/dbraw/zinc/18/21/91/175182191.db2.gz WFAXUOJDAOAUIG-IINYFYTJSA-N 2 1 245.326 2.137 10 0 BEAEMP COc1cccc(C[N@H+](C)C[C@]2(C)CC[NH2+]C2)c1 ZINC000062911582 175254671 /nfs/dbraw/zinc/25/46/71/175254671.db2.gz MNKXPHUOHUXXHC-OAHLLOKOSA-N 2 1 248.370 2.127 10 0 BEAEMP COc1cccc(C[N@@H+](C)C[C@]2(C)CC[NH2+]C2)c1 ZINC000062911582 175254673 /nfs/dbraw/zinc/25/46/73/175254673.db2.gz MNKXPHUOHUXXHC-OAHLLOKOSA-N 2 1 248.370 2.127 10 0 BEAEMP COc1cccc(C[N@H+]2CCC[C@@H]2CC[NH3+])c1 ZINC000082341618 175259130 /nfs/dbraw/zinc/25/91/30/175259130.db2.gz NGNPPCCBPSOYND-CYBMUJFWSA-N 2 1 234.343 2.008 10 0 BEAEMP COc1ccccc1C[N@@H+](C)CCCCC(N)=[NH2+] ZINC000049579784 175324292 /nfs/dbraw/zinc/32/42/92/175324292.db2.gz ZDNQJJQJXOFZMO-UHFFFAOYSA-N 2 1 249.358 2.233 10 0 BEAEMP COc1ccccc1C[N@@H+](C)CCCCC[NH3+] ZINC000049580772 175324655 /nfs/dbraw/zinc/32/46/55/175324655.db2.gz QKLOGTBZLWERFZ-UHFFFAOYSA-N 2 1 236.359 2.256 10 0 BEAEMP C[C@@H](c1ccc(N)cc1)[N@@H+](C)CCC[NH+](C)C ZINC000104196889 176015734 /nfs/dbraw/zinc/01/57/34/176015734.db2.gz SMHMOZBSNTVCIB-LBPRGKRZSA-N 2 1 235.375 2.213 10 0 BEAEMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C(N)=[NH2+])C1 ZINC000019482599 176101697 /nfs/dbraw/zinc/10/16/97/176101697.db2.gz PGAUOVSCCGOQKZ-LLVKDONJSA-N 2 1 231.343 2.203 10 0 BEAEMP C[C@@H]1CCC[N@H+]1CCCOc1ccccc1C[NH3+] ZINC000037910095 176108464 /nfs/dbraw/zinc/10/84/64/176108464.db2.gz HZMOAFRVKPFHNB-CYBMUJFWSA-N 2 1 248.370 2.399 10 0 BEAEMP C[C@@H]1CCC[N@@H+]1CCc1[nH]c2ccc(N)cc2[nH+]1 ZINC000037909997 176108947 /nfs/dbraw/zinc/10/89/47/176108947.db2.gz BVJLTWRCBHISCA-SNVBAGLBSA-N 2 1 244.342 2.172 10 0 BEAEMP C[C@@H]1CCC[N@H+]1CCc1[nH]c2ccc(N)cc2[nH+]1 ZINC000037909997 176108948 /nfs/dbraw/zinc/10/89/48/176108948.db2.gz BVJLTWRCBHISCA-SNVBAGLBSA-N 2 1 244.342 2.172 10 0 BEAEMP C[C@@H]1CC[N@@H+](Cc2cc(C[NH3+])ccc2F)C1 ZINC000040717024 176174066 /nfs/dbraw/zinc/17/40/66/176174066.db2.gz GXESIQLLABWTLC-SNVBAGLBSA-N 2 1 222.307 2.126 10 0 BEAEMP C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]([NH3+])C1 ZINC000038587391 176175725 /nfs/dbraw/zinc/17/57/25/176175725.db2.gz BXJFSICAWIZSFJ-TZMCWYRMSA-N 2 1 218.344 2.246 10 0 BEAEMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]([NH3+])C1 ZINC000038587391 176175726 /nfs/dbraw/zinc/17/57/26/176175726.db2.gz BXJFSICAWIZSFJ-TZMCWYRMSA-N 2 1 218.344 2.246 10 0 BEAEMP C[C@@H]1CC[C@@H](C[NH3+])[C@H]([N@@H+](C)Cc2ccco2)C1 ZINC000035700804 176202093 /nfs/dbraw/zinc/20/20/93/176202093.db2.gz FXBAKHCVUWVZLW-MBNYWOFBSA-N 2 1 236.359 2.475 10 0 BEAEMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1CCc1ccccc1 ZINC000042427370 176202527 /nfs/dbraw/zinc/20/25/27/176202527.db2.gz SHIOOIDCYVGEGV-HIFRSBDPSA-N 2 1 232.371 2.288 10 0 BEAEMP C[C@@H]1CC[C@@H]([NH3+])[C@H]([N@H+](C)CCc2ccccn2)C1 ZINC000034679443 176208136 /nfs/dbraw/zinc/20/81/36/176208136.db2.gz PWUAPXBRNYIAMH-BPLDGKMQSA-N 2 1 247.386 2.072 10 0 BEAEMP C[C@@H]1CC[C@@H]([NH3+])[C@H]([N@@H+](C)CCc2ccccn2)C1 ZINC000034679443 176208137 /nfs/dbraw/zinc/20/81/37/176208137.db2.gz PWUAPXBRNYIAMH-BPLDGKMQSA-N 2 1 247.386 2.072 10 0 BEAEMP C[C@@H]1CC[C@@H]([NH3+])[C@H](C[N@H+](C)Cc2ccoc2)C1 ZINC000053876501 176208284 /nfs/dbraw/zinc/20/82/84/176208284.db2.gz HLHCFQPHHRRWTO-KWCYVHTRSA-N 2 1 236.359 2.475 10 0 BEAEMP C[C@@H]1CC[C@@H]([NH3+])[C@H](C[N@@H+](C)Cc2ccoc2)C1 ZINC000053876501 176208286 /nfs/dbraw/zinc/20/82/86/176208286.db2.gz HLHCFQPHHRRWTO-KWCYVHTRSA-N 2 1 236.359 2.475 10 0 BEAEMP C[C@@H]1CC[C@H](C[NH3+])[C@H]([N@@H+](C)Cc2ccncc2)C1 ZINC000036771880 176224141 /nfs/dbraw/zinc/22/41/41/176224141.db2.gz VPNSYXMLKFAIHR-BPLDGKMQSA-N 2 1 247.386 2.277 10 0 BEAEMP C[C@@H]1C[N@@H+](CCC[C@@H]2CCC[NH2+]2)CC(C)(C)O1 ZINC000052764690 176289005 /nfs/dbraw/zinc/28/90/05/176289005.db2.gz ICTXULCUTMFDFH-OLZOCXBDSA-N 2 1 240.391 2.018 10 0 BEAEMP C[C@@H]1C[NH2+]CCC[N@@H+](CCC2CCCC2)C1 ZINC000049666898 176324027 /nfs/dbraw/zinc/32/40/27/176324027.db2.gz SRSXRLSTGHWAEB-CYBMUJFWSA-N 2 1 224.392 2.498 10 0 BEAEMP C[C@@H]1C[NH2+]CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000049665716 176324538 /nfs/dbraw/zinc/32/45/38/176324538.db2.gz NVQNKLBIYKTEBS-GFCCVEGCSA-N 2 1 236.334 2.257 10 0 BEAEMP C[C@@H]1C[NH2+]CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000049665716 176324539 /nfs/dbraw/zinc/32/45/39/176324539.db2.gz NVQNKLBIYKTEBS-GFCCVEGCSA-N 2 1 236.334 2.257 10 0 BEAEMP C[C@@H]1C[NH2+]CCC[N@@H+](Cc2ccccc2)C1 ZINC000049664207 176324565 /nfs/dbraw/zinc/32/45/65/176324565.db2.gz HXXXKABEVQNWHL-CYBMUJFWSA-N 2 1 218.344 2.118 10 0 BEAEMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCc1ccc(F)cc1 ZINC000049708198 176370550 /nfs/dbraw/zinc/37/05/50/176370550.db2.gz PVIKCEVEHRXVHA-RISCZKNCSA-N 2 1 236.334 2.180 10 0 BEAEMP C[C@@H]1C[C@@H]([NH3+])C[N@H+](Cc2ccccc2)[C@@H]1C ZINC000068593184 176371191 /nfs/dbraw/zinc/37/11/91/176371191.db2.gz NVIRYIHNKWLTFW-YRGRVCCFSA-N 2 1 218.344 2.244 10 0 BEAEMP C[C@@H]1C[C@@H]([NH3+])C[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000068593184 176371192 /nfs/dbraw/zinc/37/11/92/176371192.db2.gz NVIRYIHNKWLTFW-YRGRVCCFSA-N 2 1 218.344 2.244 10 0 BEAEMP C[C@@H]1C[C@@H]1C[N@@H+](C)Cc1ccc(F)cc1C[NH3+] ZINC000104417748 176391886 /nfs/dbraw/zinc/39/18/86/176391886.db2.gz QZRGMMZHJWNMSG-ZWNOBZJWSA-N 2 1 236.334 2.372 10 0 BEAEMP C[C@H]1CC(C)(C)C[C@](C[NH3+])([NH2+]C2CC2)C1 ZINC000050271075 177063638 /nfs/dbraw/zinc/06/36/38/177063638.db2.gz ZFEMCQQENHKGCO-GXFFZTMASA-N 2 1 210.365 2.282 10 0 BEAEMP C[C@H]1CCCC[N@H+]1Cc1cc(C[NH3+])co1 ZINC000052378903 177077391 /nfs/dbraw/zinc/07/73/91/177077391.db2.gz GUGTXAPYCDSAJB-JTQLQIEISA-N 2 1 208.305 2.113 10 0 BEAEMP C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1ccc(C[NH3+])o1 ZINC000052373315 177102353 /nfs/dbraw/zinc/10/23/53/177102353.db2.gz OMEXHCWLITZGBI-WDEREUQCSA-N 2 1 222.332 2.359 10 0 BEAEMP C[C@H]1CCC[N@H+]1C[C@@H](C[NH3+])c1ccccc1 ZINC000037910134 177109338 /nfs/dbraw/zinc/10/93/38/177109338.db2.gz GRGNXXPXOFCZLI-GXTWGEPZSA-N 2 1 218.344 2.213 10 0 BEAEMP C[C@H]1CC[N@H+](C2CCCCC2)CCC[NH2+]1 ZINC000049665014 177157895 /nfs/dbraw/zinc/15/78/95/177157895.db2.gz JUKNHGAMDLEYGO-LBPRGKRZSA-N 2 1 210.365 2.393 10 0 BEAEMP C[C@@H]1C[NH2+][C@@H](C)CC[N@H+](CCC(F)(F)F)C1 ZINC000063101194 177159369 /nfs/dbraw/zinc/15/93/69/177159369.db2.gz UVHFEUZJAZZGPH-ZJUUUORDSA-N 2 1 238.297 2.259 10 0 BEAEMP C[C@@H]1C[NH2+][C@@H](C)CC[N@@H+](CCC(F)(F)F)C1 ZINC000063101194 177159370 /nfs/dbraw/zinc/15/93/70/177159370.db2.gz UVHFEUZJAZZGPH-ZJUUUORDSA-N 2 1 238.297 2.259 10 0 BEAEMP C[C@H]1CC[NH+](Cc2ccncc2)CC[C@H](C)[NH2+]1 ZINC000049666613 177166698 /nfs/dbraw/zinc/16/66/98/177166698.db2.gz YSOGIQDBJVRFQZ-STQMWFEESA-N 2 1 233.359 2.044 10 0 BEAEMP C[C@@H](c1cccnc1)[N@H+]1CC[C@H](C)[NH2+]C[C@@H](C)C1 ZINC000049666650 177169736 /nfs/dbraw/zinc/16/97/36/177169736.db2.gz IZEDBLFTOCXBSI-RDBSUJKOSA-N 2 1 247.386 2.463 10 0 BEAEMP C[C@H]1CC[C@@]2(CC[N@@H+](CCC[NH+](C)C)C2)C1 ZINC000039110726 177196295 /nfs/dbraw/zinc/19/62/95/177196295.db2.gz CRHBAGGSKRHZQC-UONOGXRCSA-N 2 1 224.392 2.450 10 0 BEAEMP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1CCc1ccccc1 ZINC000042427369 177200975 /nfs/dbraw/zinc/20/09/75/177200975.db2.gz SHIOOIDCYVGEGV-DZGCQCFKSA-N 2 1 232.371 2.288 10 0 BEAEMP C[C@H]1CC[C@H]([NH3+])[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000068593072 177203928 /nfs/dbraw/zinc/20/39/28/177203928.db2.gz ULXWOSFIBHNQLH-OBJOEFQTSA-N 2 1 218.344 2.387 10 0 BEAEMP C[C@H]1CC[C@H]([NH3+])[C@H](C)[N@H+]1Cc1ccccc1 ZINC000068593072 177203930 /nfs/dbraw/zinc/20/39/30/177203930.db2.gz ULXWOSFIBHNQLH-OBJOEFQTSA-N 2 1 218.344 2.387 10 0 BEAEMP C[C@H]1C[N@@H+](CCC[C@@H]2CCC[NH2+]2)CC(C)(C)O1 ZINC000052764691 177250302 /nfs/dbraw/zinc/25/03/02/177250302.db2.gz ICTXULCUTMFDFH-STQMWFEESA-N 2 1 240.391 2.018 10 0 BEAEMP C[C@H]1C[N@@H+](CCc2ccccc2F)CC[C@@H]1[NH3+] ZINC000049708293 177254636 /nfs/dbraw/zinc/25/46/36/177254636.db2.gz FBMJLPXAUYOKQV-FZMZJTMJSA-N 2 1 236.334 2.037 10 0 BEAEMP C[C@H]1C[N@H+](Cc2ccccc2)[C@H](C)[C@H]([NH3+])[C@@H]1C ZINC000068592991 177266440 /nfs/dbraw/zinc/26/64/40/177266440.db2.gz MCYADVOUXKSBRH-KYEXWDHISA-N 2 1 232.371 2.490 10 0 BEAEMP C[C@H]1C[N@@H+](Cc2ccccc2)[C@H](C)[C@H]([NH3+])[C@@H]1C ZINC000068592991 177266442 /nfs/dbraw/zinc/26/64/42/177266442.db2.gz MCYADVOUXKSBRH-KYEXWDHISA-N 2 1 232.371 2.490 10 0 BEAEMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)C1[NH3+] ZINC000034268760 177267081 /nfs/dbraw/zinc/26/70/81/177267081.db2.gz RIEQIRVXRYJFPZ-ONXXMXGDSA-N 2 1 218.344 2.102 10 0 BEAEMP C[C@H]1C[NH2+]CCC[N@@H+](CCc2ccccc2)C1 ZINC000049664781 177281945 /nfs/dbraw/zinc/28/19/45/177281945.db2.gz CGPAJNUBNKCANU-AWEZNQCLSA-N 2 1 232.371 2.161 10 0 BEAEMP C[C@@H]1C[NH2+]C[C@H](C)C[N@@H+](C2CCCCC2)C1 ZINC000049665033 177284703 /nfs/dbraw/zinc/28/47/03/177284703.db2.gz KOGHYQOULZTQSE-BETUJISGSA-N 2 1 224.392 2.497 10 0 BEAEMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCc1cccc(F)c1 ZINC000049711365 177327064 /nfs/dbraw/zinc/32/70/64/177327064.db2.gz XGKLTGZLTJZDDX-FZMZJTMJSA-N 2 1 236.334 2.180 10 0 BEAEMP C[C@H]1C[C@@H]1C[N@@H+](C)Cc1ccc(C(N)=[NH2+])cc1 ZINC000104417806 177342368 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ZINC000666887471 487898210 /nfs/dbraw/zinc/89/82/10/487898210.db2.gz QWKBORHGOVMIBX-NQBHXWOUSA-N 2 1 210.365 2.295 10 0 BEAEMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@H]1CCC(C)(C)C1 ZINC000396694037 323653506 /nfs/dbraw/zinc/65/35/06/323653506.db2.gz IYBFKIZBJQQLPV-SDDRHHMPSA-N 2 1 210.365 2.295 10 0 BEAEMP Cc1cccc(N[C@@H]2CCC[C@@H]([NH3+])C2)[nH+]1 ZINC000257656762 488075797 /nfs/dbraw/zinc/07/57/97/488075797.db2.gz QVWKNRQHPJPTFD-GHMZBOCLSA-N 2 1 205.305 2.072 10 0 BEAEMP C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000396709921 487532089 /nfs/dbraw/zinc/53/20/89/487532089.db2.gz OXJMJALYXUSVLY-NDBYEHHHSA-N 2 1 210.365 2.295 10 0 BEAEMP C[C@H](CC[NH3+])Nc1[nH+]ccc2ccccc21 ZINC000134269263 487976748 /nfs/dbraw/zinc/97/67/48/487976748.db2.gz ZCEYSAAZDGBBRE-SNVBAGLBSA-N 2 1 215.300 2.384 10 0 BEAEMP CC(C)(C)OCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000127826553 490561544 /nfs/dbraw/zinc/56/15/44/490561544.db2.gz XHJKFHXMYOGRDK-QWHCGFSZSA-N 2 1 240.391 2.018 10 0 BEAEMP CC1CCC(C[NH2+]CCc2c[nH+]cn2C)CC1 ZINC000401888896 490588265 /nfs/dbraw/zinc/58/82/65/490588265.db2.gz VZQXGINTDOSGEQ-UHFFFAOYSA-N 2 1 235.375 2.379 10 0 BEAEMP C[C@H](CC1CCC1)[NH2+]C1CC[NH+](C)CC1 ZINC000132240274 491134854 /nfs/dbraw/zinc/13/48/54/491134854.db2.gz QULQTGHRZDPXCN-LLVKDONJSA-N 2 1 210.365 2.249 10 0 BEAEMP COCC[C@H](C)[N@H+]1CCC[C@@]12CCC[NH2+][C@H]2C ZINC000757124082 582499572 /nfs/dbraw/zinc/49/95/72/582499572.db2.gz BOEAKVHLOUNOML-MELADBBJSA-N 2 1 240.391 2.018 10 0 BEAEMP C[N@H+]1CCC[C@]2(CC1)[NH2+]CC(C)(C)C(C)(C)O2 ZINC000757138391 582517976 /nfs/dbraw/zinc/51/79/76/582517976.db2.gz CAILFRSKEOGFNT-AWEZNQCLSA-N 2 1 240.391 2.223 10 0 BEAEMP C[N@H+]1CCC[C@@]2(CC1)[NH2+]C[C@H](C(C)(C)C)CO2 ZINC000757150002 582533856 /nfs/dbraw/zinc/53/38/56/582533856.db2.gz OYMQAAJBQSKGCZ-GXTWGEPZSA-N 2 1 240.391 2.081 10 0 BEAEMP C[N@H+]1CCC[C@]2(CC1)[NH2+]C[C@H](C(C)(C)C)CO2 ZINC000757150005 582533896 /nfs/dbraw/zinc/53/38/96/582533896.db2.gz OYMQAAJBQSKGCZ-JSGCOSHPSA-N 2 1 240.391 2.081 10 0 BEAEMP CCC1(CC)C[NH2+][C@@]2(CCC[N@@H+](C)CC2)OC1 ZINC000757152912 582537215 /nfs/dbraw/zinc/53/72/15/582537215.db2.gz VFNIOCVMRQJUAG-AWEZNQCLSA-N 2 1 240.391 2.225 10 0 BEAEMP CC[C@@H]1CCC[N@H+]1[C@H]1[C@H](C)C[NH2+]C[C@@H]1C ZINC000685951935 566487089 /nfs/dbraw/zinc/48/70/89/566487089.db2.gz ZJBBRRYOAUXZNT-XQHKEYJVSA-N 2 1 210.365 2.105 10 0 BEAEMP C[C@@H](C1CC1)[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC000757128024 582503218 /nfs/dbraw/zinc/50/32/18/582503218.db2.gz IOIBDOYHUDMPHC-AAEUAGOBSA-N 2 1 208.349 2.003 10 0 BEAEMP C[C@H](C1CC1)[N@H+]1CCC[C@]12C[NH2+]C[C@@H](C)C2 ZINC000757131245 582505998 /nfs/dbraw/zinc/50/59/98/582505998.db2.gz PXKVBVDERKLGGI-SCRDCRAPSA-N 2 1 222.376 2.249 10 0 BEAEMP CC[C@H]1CC[NH2+]C2(CC(C)(C)[NH2+]C(C)(C)C2)O1 ZINC000757147415 582531353 /nfs/dbraw/zinc/53/13/53/582531353.db2.gz SARXNMWQYRJENT-NSHDSACASA-N 2 1 240.391 2.412 10 0 BEAEMP C[C@@H]1CCC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000108353980 583600687 /nfs/dbraw/zinc/60/06/87/583600687.db2.gz NZDCISWSDGIBJO-CHWSQXEVSA-N 2 1 210.365 2.108 10 0 BEAEMP CCOCCC[N@H+]1CCC[C@@]12CCC[NH2+][C@H]2C ZINC000757123995 586426376 /nfs/dbraw/zinc/42/63/76/586426376.db2.gz BELULRICDQELPM-UONOGXRCSA-N 2 1 240.391 2.020 10 0 BEAEMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000111273430 631861469 /nfs/dbraw/zinc/86/14/69/631861469.db2.gz WXYHQOUBTSAQGF-VHDGCEQUSA-N 2 1 236.403 2.497 10 0 BEAEMP C[C@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)c1cccs1 ZINC000328417117 633762765 /nfs/dbraw/zinc/76/27/65/633762765.db2.gz IPZSRTOWWMBTJY-FRVSTRGASA-N 2 1 248.395 2.395 10 0 BEAEMP C=C/C=C/CC[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000713735610 711494164 /nfs/dbraw/zinc/49/41/64/711494164.db2.gz PVWRQKWSDKOBDA-IHVVCDCBSA-N 2 1 208.349 2.193 10 0 BEAEMP [NH3+][C@@H]1CC[C@H](CNc2cc[nH+]cc2Cl)C1 ZINC000227645124 640842877 /nfs/dbraw/zinc/84/28/77/640842877.db2.gz OQMSFEZILXIPDS-DTWKUNHWSA-N 2 1 225.723 2.274 10 0 BEAEMP C[C@H](C[NH2+]Cc1ccoc1)C[NH+]1CCCC1 ZINC000062103678 641021423 /nfs/dbraw/zinc/02/14/23/641021423.db2.gz WQOAVWZXCQLALC-GFCCVEGCSA-N 2 1 222.332 2.101 10 0 BEAEMP C[NH2+]C[C@@H]1CCCCN1c1cc[nH+]cc1Cl ZINC000086839838 644186303 /nfs/dbraw/zinc/18/63/03/644186303.db2.gz GHIARINGBIBDOH-JTQLQIEISA-N 2 1 239.750 2.313 10 0 BEAEMP C/C=C(/C)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000096852250 644843441 /nfs/dbraw/zinc/84/34/41/644843441.db2.gz LANSVSBSOCYJIZ-BASWHVEKSA-N 2 1 208.349 2.028 10 0 BEAEMP CC(F)(F)CCC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000718574227 711661131 /nfs/dbraw/zinc/66/11/31/711661131.db2.gz YYWKZCDTFGPJFE-AXFHLTTASA-N 2 1 232.318 2.091 10 0 BEAEMP CCC[C@H](C)C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000133091184 710967988 /nfs/dbraw/zinc/96/79/88/710967988.db2.gz CNTOGWRHJYPMPP-YNEHKIRRSA-N 2 1 212.381 2.339 10 0 BEAEMP C(C[NH2+]C1CC1)C[N@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000134817417 711561302 /nfs/dbraw/zinc/56/13/02/711561302.db2.gz BPFTULKYTQWGPH-JSGCOSHPSA-N 2 1 222.376 2.393 10 0 BEAEMP C[NH2+]CCC[N@H+]1CC(C)(C)[C@@H]2CCC[C@@H]21 ZINC000378818294 712362624 /nfs/dbraw/zinc/36/26/24/712362624.db2.gz CWSTWXDXJOGMSG-NEPJUHHUSA-N 2 1 210.365 2.106 10 0 BEAEMP CC1(C)C[N@@H+](C[C@@H]2CC[NH2+]C2)[C@@H]2CCC[C@@H]21 ZINC000378837357 712362628 /nfs/dbraw/zinc/36/26/28/712362628.db2.gz NAQZGYDSPDYVLR-FRRDWIJNSA-N 2 1 222.376 2.106 10 0 BEAEMP CCC1([NH3+])CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000714758856 712497527 /nfs/dbraw/zinc/49/75/27/712497527.db2.gz OXPUJNONCZTLHV-GFCCVEGCSA-N 2 1 233.359 2.346 10 0 BEAEMP c1ccc(CC[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000036996534 712528826 /nfs/dbraw/zinc/52/88/26/712528826.db2.gz QBSGTAUPVKFANE-HZPDHXFCSA-N 2 1 244.382 2.446 10 0 BEAEMP CC(C)[C@H](C)[N@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720859856 712870759 /nfs/dbraw/zinc/87/07/59/712870759.db2.gz RMBZKCPFGUCQMB-LPEHRKFASA-N 2 1 238.297 2.100 10 0 BEAEMP CCCCC[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000134997772 1168255723 /nfs/dbraw/zinc/25/57/23/1168255723.db2.gz JEYNLCHXMJTKJU-UHFFFAOYSA-N 2 1 221.348 2.427 10 0 BEAEMP CC[N@H+]1CC[C@H]([NH3+])[C@@]12CCCC(C)(C)C2 ZINC000685953528 538898140 /nfs/dbraw/zinc/89/81/40/538898140.db2.gz IGFFGXGJIJTBKY-AAEUAGOBSA-N 2 1 210.365 2.378 10 0 BEAEMP CCC1CCC2(CC1)[C@H]([NH3+])CC[N@H+]2CC ZINC000685955367 538900725 /nfs/dbraw/zinc/90/07/25/538900725.db2.gz YLFRVGKAOOKGHD-OTTFEQOBSA-N 2 1 210.365 2.378 10 0 BEAEMP CCC[N@H+]1CC[C@@H]([NH3+])C12CCC(F)(F)CC2 ZINC000685952585 538896453 /nfs/dbraw/zinc/89/64/53/538896453.db2.gz AOOYVXKQBRWLNU-SNVBAGLBSA-N 2 1 232.318 2.378 10 0 BEAEMP CC[N@H+]1CC[C@H]([NH3+])C12C[C@H](C)C[C@@H](C)C2 ZINC000685953106 538897296 /nfs/dbraw/zinc/89/72/96/538897296.db2.gz GBUWERBLNYSNPA-UTUOFQBUSA-N 2 1 210.365 2.234 10 0 BEAEMP CCC(CC)(C[NH2+]C)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000051209752 168325470 /nfs/dbraw/zinc/32/54/70/168325470.db2.gz GFSRYYSLOCBPTD-STQMWFEESA-N 2 1 242.407 2.121 10 0 BEAEMP C[C@H]([N@@H+](C)C[C@]1(C)CC[NH2+]C1)C(C)(C)C ZINC000062912003 349496258 /nfs/dbraw/zinc/49/62/58/349496258.db2.gz VHKPDJACYGASJG-WCQYABFASA-N 2 1 212.381 2.352 10 0 BEAEMP Cc1[nH+]ccn1CC[NH2+]C[C@@H](C)C(C)(C)C ZINC000162876933 538925336 /nfs/dbraw/zinc/92/53/36/538925336.db2.gz QPMWMLKDTUZUDC-LLVKDONJSA-N 2 1 223.364 2.463 10 0 BEAEMP Cc1cc(NCc2ccccc2C[NH3+])nc(C)[nH+]1 ZINC000061841441 178173416 /nfs/dbraw/zinc/17/34/16/178173416.db2.gz AWQAPQORSAXVJZ-UHFFFAOYSA-N 2 1 242.326 2.164 10 0 BEAEMP Cc1cc(N[C@H](C[NH+](C)C)C(C)C)nc(C)[nH+]1 ZINC000049218294 178187569 /nfs/dbraw/zinc/18/75/69/178187569.db2.gz REBVMZOVHMSDMZ-GFCCVEGCSA-N 2 1 236.363 2.092 10 0 BEAEMP Cc1[nH+]c2cc(C)c(C)cc2n1CCC[NH3+] ZINC000004057636 178302562 /nfs/dbraw/zinc/30/25/62/178302562.db2.gz PXYRYUMOPIPCSY-UHFFFAOYSA-N 2 1 217.316 2.310 10 0 BEAEMP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@H]1CCCCC1(F)F ZINC000381666543 398269137 /nfs/dbraw/zinc/26/91/37/398269137.db2.gz KNVFGDRCQYPAKX-NEPJUHHUSA-N 2 1 246.345 2.496 10 0 BEAEMP [NH3+]C[C@H]1CC[N@@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000381700609 398270016 /nfs/dbraw/zinc/27/00/16/398270016.db2.gz OSIAREHDRLOPEC-MNOVXSKESA-N 2 1 232.318 2.093 10 0 BEAEMP [NH3+]C[C@H]1CC[N@@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000381700606 398270156 /nfs/dbraw/zinc/27/01/56/398270156.db2.gz OSIAREHDRLOPEC-GHMZBOCLSA-N 2 1 232.318 2.093 10 0 BEAEMP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@H]1CCCCC1(F)F ZINC000381666543 398269134 /nfs/dbraw/zinc/26/91/34/398269134.db2.gz KNVFGDRCQYPAKX-NEPJUHHUSA-N 2 1 246.345 2.496 10 0 BEAEMP CC[N@@H+](CC(C)C)C[C@@H](N)CC(C)C ZINC000037111780 342920831 /nfs/dbraw/zinc/92/08/31/342920831.db2.gz ICPRVSIBQFRFDV-LBPRGKRZSA-N 2 1 200.370 2.338 10 0 BEAEMP CCN(CC(C)C)C[C@@H]([NH3+])CC(C)C ZINC000037111780 342920832 /nfs/dbraw/zinc/92/08/32/342920832.db2.gz ICPRVSIBQFRFDV-LBPRGKRZSA-N 2 1 200.370 2.338 10 0 BEAEMP CC[N@@H+](CC(C)C)C[C@H](N)CC(C)C ZINC000037111779 342920880 /nfs/dbraw/zinc/92/08/80/342920880.db2.gz ICPRVSIBQFRFDV-GFCCVEGCSA-N 2 1 200.370 2.338 10 0 BEAEMP CCN(CC(C)C)C[C@H]([NH3+])CC(C)C ZINC000037111779 342920881 /nfs/dbraw/zinc/92/08/81/342920881.db2.gz ICPRVSIBQFRFDV-GFCCVEGCSA-N 2 1 200.370 2.338 10 0 BEAEMP C[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)CC1CC1 ZINC000211945949 343017435 /nfs/dbraw/zinc/01/74/35/343017435.db2.gz XLTQBAXSTOXZFH-UHFFFAOYSA-N 2 1 230.355 2.174 10 0 BEAEMP [NH3+]C[C@@H]([NH3+])CC1=Cc2c(Cl)cccc2CC1 ZINC000141263147 343090720 /nfs/dbraw/zinc/09/07/20/343090720.db2.gz FVZGZMMVAJIXCC-NSHDSACASA-N 2 1 236.746 2.346 10 0 BEAEMP CCSCC[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000128932902 343175856 /nfs/dbraw/zinc/17/58/56/343175856.db2.gz LZOSMFFUSKZMBJ-GFCCVEGCSA-N 2 1 230.421 2.059 10 0 BEAEMP Cc1ccc(OCC[C@@](C)(C[NH3+])[NH+](C)C)cc1 ZINC000019667660 187252768 /nfs/dbraw/zinc/25/27/68/187252768.db2.gz WJEKHBCQOXBHCZ-AWEZNQCLSA-N 2 1 236.359 2.043 10 0 BEAEMP CC(C)C[C@H](C[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000022166758 187254884 /nfs/dbraw/zinc/25/48/84/187254884.db2.gz UHXHWZNDRWCFMS-OAHLLOKOSA-N 2 1 232.371 2.418 10 0 BEAEMP CC(C)C[C@H](C[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000022166758 187254886 /nfs/dbraw/zinc/25/48/86/187254886.db2.gz UHXHWZNDRWCFMS-OAHLLOKOSA-N 2 1 232.371 2.418 10 0 BEAEMP [NH3+][C@H]1CCCC[C@@H]1Nc1[nH]c2ccccc2[nH+]1 ZINC000038050679 343368113 /nfs/dbraw/zinc/36/81/13/343368113.db2.gz QOFLSJOPNUNVRI-UWVGGRQHSA-N 2 1 230.315 2.245 10 0 BEAEMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H](C)[C@H]2C[C@H]2C)C1 ZINC000321657780 343503860 /nfs/dbraw/zinc/50/38/60/343503860.db2.gz WHVICIVLOGPDPJ-SYQHCUMBSA-N 2 1 224.392 2.351 10 0 BEAEMP C[N@@H+]1CCC[C@]2(CC1)[NH2+]CCc1ccsc12 ZINC000712541937 537791566 /nfs/dbraw/zinc/79/15/66/537791566.db2.gz HIHWLQSBOUQDPS-CYBMUJFWSA-N 2 1 236.384 2.205 10 0 BEAEMP C[N@H+]1CCC[C@]2(CC1)[NH2+]CCc1ccsc12 ZINC000712541937 537791575 /nfs/dbraw/zinc/79/15/75/537791575.db2.gz HIHWLQSBOUQDPS-CYBMUJFWSA-N 2 1 236.384 2.205 10 0 BEAEMP CCc1[nH+]ccn1-c1cc(C)ccc1C[NH3+] ZINC000051580266 187271044 /nfs/dbraw/zinc/27/10/44/187271044.db2.gz ICFPHEVHWDNVEC-UHFFFAOYSA-N 2 1 215.300 2.202 10 0 BEAEMP CCC[C@@H]1C[C@H]1[NH2+]C1CC[NH+](CC)CC1 ZINC000132289483 344297255 /nfs/dbraw/zinc/29/72/55/344297255.db2.gz CFRBCQNEUVAZNW-DGCLKSJQSA-N 2 1 210.365 2.249 10 0 BEAEMP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1C[C@@H]1CCCCC1(F)F ZINC000385264056 344384898 /nfs/dbraw/zinc/38/48/98/344384898.db2.gz QWCWPILJAMKASF-VWYCJHECSA-N 2 1 232.318 2.233 10 0 BEAEMP C[C@@H]1C[C@H]([NH3+])C[N@H+]1C[C@@H]1CCCCC1(F)F ZINC000385264056 344384899 /nfs/dbraw/zinc/38/48/99/344384899.db2.gz QWCWPILJAMKASF-VWYCJHECSA-N 2 1 232.318 2.233 10 0 BEAEMP C[C@@H]1C[N@H+]([C@H]2CCCC2(C)C)C[C@@]1(C)C[NH3+] ZINC000390097907 259380541 /nfs/dbraw/zinc/38/05/41/259380541.db2.gz NNBDPDOSXYUTFM-MBNYWOFBSA-N 2 1 224.392 2.482 10 0 BEAEMP [NH3+][C@]12C[N@H+](Cc3ccccc3)C[C@H]1CCCC2 ZINC000307124521 344984086 /nfs/dbraw/zinc/98/40/86/344984086.db2.gz YSRKXDRZBDXBAH-HUUCEWRRSA-N 2 1 230.355 2.390 10 0 BEAEMP [NH3+][C@]12C[N@@H+](Cc3ccccc3)C[C@H]1CCCC2 ZINC000307124521 344984087 /nfs/dbraw/zinc/98/40/87/344984087.db2.gz YSRKXDRZBDXBAH-HUUCEWRRSA-N 2 1 230.355 2.390 10 0 BEAEMP C[C@@H]1C[N@@H+](Cc2coc3ccccc23)C[C@@H]1C[NH3+] ZINC000634998090 345197415 /nfs/dbraw/zinc/19/74/15/345197415.db2.gz ANHCOFUNYRDIIL-NEPJUHHUSA-N 2 1 244.338 2.459 10 0 BEAEMP Cc1ccc(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)s1 ZINC000634998710 345198285 /nfs/dbraw/zinc/19/82/85/345198285.db2.gz JNKPVLKOTDWMFG-ONGXEEELSA-N 2 1 224.373 2.083 10 0 BEAEMP CCOc1ccccc1C[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000635000503 345202129 /nfs/dbraw/zinc/20/21/29/345202129.db2.gz PSMVAUYCAWYXCW-OCCSQVGLSA-N 2 1 248.370 2.112 10 0 BEAEMP CCC[C@H](CC)[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000310006144 187310825 /nfs/dbraw/zinc/31/08/25/187310825.db2.gz GRPWMMNFAWEFHW-NWDGAFQWSA-N 2 1 221.348 2.366 10 0 BEAEMP CC[N@@H+](CC(C)=C1C[NH2+]C1)Cc1ccccc1 ZINC000164792710 346625990 /nfs/dbraw/zinc/62/59/90/346625990.db2.gz CPDWANPSPRWCJM-UHFFFAOYSA-N 2 1 230.355 2.428 10 0 BEAEMP Cc1cccc(NCc2ccc(C[NH3+])cc2)[nH+]1 ZINC000037748176 179150710 /nfs/dbraw/zinc/15/07/10/179150710.db2.gz FEBFDUNXGXJABB-UHFFFAOYSA-N 2 1 227.311 2.461 10 0 BEAEMP CCC[C@@H]1C[C@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000378663278 346798391 /nfs/dbraw/zinc/79/83/91/346798391.db2.gz BAOUMAKRZSBJQF-FDYHWXHSSA-N 2 1 210.365 2.247 10 0 BEAEMP CCC[C@@H]1C[C@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000378663278 346798393 /nfs/dbraw/zinc/79/83/93/346798393.db2.gz BAOUMAKRZSBJQF-FDYHWXHSSA-N 2 1 210.365 2.247 10 0 BEAEMP Cc1cccc([C@H]([C@H](C)[NH3+])[NH+]2CCCC2)c1 ZINC000042965339 179203579 /nfs/dbraw/zinc/20/35/79/179203579.db2.gz UUKCLRCTMQHDLJ-JSGCOSHPSA-N 2 1 218.344 2.479 10 0 BEAEMP Cc1ccccc1C[N@H+]1CCC[NH2+][C@H](C)C1 ZINC000062609092 179273636 /nfs/dbraw/zinc/27/36/36/179273636.db2.gz AJGMAEBBERGERR-CYBMUJFWSA-N 2 1 218.344 2.179 10 0 BEAEMP Cc1ccccc1C[N@@H+]1CC[NH2+][C@@H](C)CC1 ZINC000049662205 179273745 /nfs/dbraw/zinc/27/37/45/179273745.db2.gz GYUAJUNIKWOQQX-ZDUSSCGKSA-N 2 1 218.344 2.179 10 0 BEAEMP Cc1ccccc1C[N@H+]1CC[NH2+][C@@H](C)CC1 ZINC000049662205 179273748 /nfs/dbraw/zinc/27/37/48/179273748.db2.gz GYUAJUNIKWOQQX-ZDUSSCGKSA-N 2 1 218.344 2.179 10 0 BEAEMP Cc1ccccc1[C@@H]([C@H](C)[NH3+])[NH+]1CCCC1 ZINC000043033261 179328666 /nfs/dbraw/zinc/32/86/66/179328666.db2.gz WAFPXFYLPSMKFY-GXTWGEPZSA-N 2 1 218.344 2.479 10 0 BEAEMP Cc1[nH+]ccn1C[C@@H]([NH3+])c1ccccc1C ZINC000023067421 179344021 /nfs/dbraw/zinc/34/40/21/179344021.db2.gz BFOZONSTONXGKD-CYBMUJFWSA-N 2 1 215.300 2.200 10 0 BEAEMP C[C@@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1ccc(F)c(F)c1 ZINC000422731685 192445767 /nfs/dbraw/zinc/44/57/67/192445767.db2.gz OAGSXVRVOOXANM-BDAKNGLRSA-N 2 1 240.297 2.223 10 0 BEAEMP CC[N@H+]1CC[C@H]([NH2+]CCCCSC)[C@H](C)C1 ZINC000133618868 191041239 /nfs/dbraw/zinc/04/12/39/191041239.db2.gz YGWJQASXJPGHBT-OLZOCXBDSA-N 2 1 244.448 2.450 10 0 BEAEMP CSCCCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000133589784 191041902 /nfs/dbraw/zinc/04/19/02/191041902.db2.gz QITPSGWTMHPDCZ-VXGBXAGGSA-N 2 1 230.421 2.202 10 0 BEAEMP Cc1[nH+]ccn1CC[NH2+]CCc1ccc(F)cc1 ZINC000049329741 180260665 /nfs/dbraw/zinc/26/06/65/180260665.db2.gz RFNLCDMRRAIYJO-UHFFFAOYSA-N 2 1 247.317 2.163 10 0 BEAEMP Cc1[nH+]ccn1[C@@H](c1cccs1)[C@H](C)[NH3+] ZINC000043107027 180271004 /nfs/dbraw/zinc/27/10/04/180271004.db2.gz UNPLLYGCDHEOGU-GZMMTYOYSA-N 2 1 221.329 2.190 10 0 BEAEMP Cc1[nH+]ccn1[C@@H](c1ccccc1F)[C@@H](C)[NH3+] ZINC000043046118 180271085 /nfs/dbraw/zinc/27/10/85/180271085.db2.gz UMBZKDATENRKFE-NOZJJQNGSA-N 2 1 233.290 2.267 10 0 BEAEMP Cc1[nH+]cn([C@@H]2Cc3ccccc3[C@H]2[NH3+])c1C ZINC000051926451 180289746 /nfs/dbraw/zinc/28/97/46/180289746.db2.gz LDMPNTXERQRTJD-ZIAGYGMSSA-N 2 1 227.311 2.297 10 0 BEAEMP Cc1[nH+]cn([C@@H](C[NH3+])c2cccc(F)c2)c1C ZINC000051925875 180289824 /nfs/dbraw/zinc/28/98/24/180289824.db2.gz NBCVFBSPEZXJLZ-ZDUSSCGKSA-N 2 1 233.290 2.187 10 0 BEAEMP Cc1[nH+]cn([C@H]2COc3ccccc3[C@@H]2[NH3+])c1C ZINC000051926484 180290099 /nfs/dbraw/zinc/29/00/99/180290099.db2.gz OWPDHQGHSRHIOS-JSGCOSHPSA-N 2 1 243.310 2.133 10 0 BEAEMP Cc1[nH+]cn(CC[NH2+]C2CCCCC2)c1C ZINC000053536000 180287040 /nfs/dbraw/zinc/28/70/40/180287040.db2.gz VCNUFARYTLKXGT-UHFFFAOYSA-N 2 1 221.348 2.422 10 0 BEAEMP Cc1ncsc1[C@H](C)[NH2+]C[C@H]1CC[N@H+](C)C1 ZINC000037484865 180327491 /nfs/dbraw/zinc/32/74/91/180327491.db2.gz WITRMZNSDGBMJC-GXSJLCMTSA-N 2 1 239.388 2.054 10 0 BEAEMP Cc1ncsc1[C@H](C)[NH2+]C[C@H]1CC[N@@H+](C)C1 ZINC000037484865 180327494 /nfs/dbraw/zinc/32/74/94/180327494.db2.gz WITRMZNSDGBMJC-GXSJLCMTSA-N 2 1 239.388 2.054 10 0 BEAEMP C[C@@]1([NH3+])C[NH2+]C[C@@H]1c1cccc(CC2CCC2)c1 ZINC000725268224 538100141 /nfs/dbraw/zinc/10/01/41/538100141.db2.gz PXVMCDZZNAUMHM-HZPDHXFCSA-N 2 1 244.382 2.433 10 0 BEAEMP [NH3+]CC[C@H]([NH3+])c1c(F)ccc(Cl)c1Cl ZINC000306878494 351271800 /nfs/dbraw/zinc/27/18/00/351271800.db2.gz DBHONYIMUJSQBQ-ZETCQYMHSA-N 2 1 237.105 2.481 10 0 BEAEMP CC(C)(C)c1cccc([C@@H]2CC[NH2+]C[C@H]2[NH3+])c1 ZINC000725269197 538101311 /nfs/dbraw/zinc/10/13/11/538101311.db2.gz FSSDMTMAEKQYBO-UONOGXRCSA-N 2 1 232.371 2.388 10 0 BEAEMP CC(=[NH2+])N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000307520128 352633472 /nfs/dbraw/zinc/63/34/72/352633472.db2.gz PQQYOQSQTYORES-FZMZJTMJSA-N 2 1 231.343 2.236 10 0 BEAEMP C[N@@H+](Cc1ccccc1)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000223109856 353136701 /nfs/dbraw/zinc/13/67/01/353136701.db2.gz RGEJNWVOHDUDKB-ZIAGYGMSSA-N 2 1 218.344 2.388 10 0 BEAEMP Cc1[nH+]cn([C@H](C[NH3+])c2ccccc2C)c1C ZINC000051925681 188299625 /nfs/dbraw/zinc/29/96/25/188299625.db2.gz FHAQKFKKDRZWKV-CQSZACIVSA-N 2 1 229.327 2.356 10 0 BEAEMP C[N@@H+](Cc1ccccc1)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000405531351 353795444 /nfs/dbraw/zinc/79/54/44/353795444.db2.gz YGWVVJKRVGTKKO-QWHCGFSZSA-N 2 1 218.344 2.244 10 0 BEAEMP Cc1ccc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)nc1C ZINC000578004872 366173642 /nfs/dbraw/zinc/17/36/42/366173642.db2.gz CRBPHMYLOQRABW-KGLIPLIRSA-N 2 1 247.386 2.176 10 0 BEAEMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000383809907 355358312 /nfs/dbraw/zinc/35/83/12/355358312.db2.gz POGJRQPEEFMITM-LXTVHRRPSA-N 2 1 236.403 2.495 10 0 BEAEMP CC[C@]1([NH3+])C[NH2+]C[C@@H]1c1cc(C)cc(C)c1 ZINC000685945920 538887518 /nfs/dbraw/zinc/88/75/18/538887518.db2.gz GECQDGFIQMNVFW-KGLIPLIRSA-N 2 1 218.344 2.098 10 0 BEAEMP C[C@@H]1C[NH2+]C[C@H](C)[C@H]1[N@H+]1CCCC1(C)C ZINC000685951370 538894543 /nfs/dbraw/zinc/89/45/43/538894543.db2.gz RMTLHLBEAMRCFX-GDNZZTSVSA-N 2 1 210.365 2.105 10 0 BEAEMP CC[C@@H]1CC[C@@H](C)[N@H+]1[C@H]1[C@H](C)C[NH2+]C[C@@H]1C ZINC000685951080 538894586 /nfs/dbraw/zinc/89/45/86/538894586.db2.gz MMZRJMSZIHTYQP-ITGHMWBKSA-N 2 1 224.392 2.493 10 0 BEAEMP CCC[C@@H](C)C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000044534181 358389578 /nfs/dbraw/zinc/38/95/78/358389578.db2.gz CMIZHRJPQDOQCX-CHWSQXEVSA-N 2 1 212.381 2.354 10 0 BEAEMP CC1CCC(C[N@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)CC1 ZINC000219815720 134292130 /nfs/dbraw/zinc/29/21/30/134292130.db2.gz KKYAMEVBVGJCDL-PFSRBDOWSA-N 2 1 236.403 2.497 10 0 BEAEMP [NH3+]C[C@@]12CCC[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000306287051 359518343 /nfs/dbraw/zinc/51/83/43/359518343.db2.gz ZCCZVFYYURWFIW-LSDHHAIUSA-N 2 1 230.355 2.247 10 0 BEAEMP [NH3+]CCC1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000086840042 359542689 /nfs/dbraw/zinc/54/26/89/359542689.db2.gz QKXWNKSPBYATRX-UHFFFAOYSA-N 2 1 239.750 2.300 10 0 BEAEMP CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000090175109 360062678 /nfs/dbraw/zinc/06/26/78/360062678.db2.gz CKUZDPSZJNLYIS-SYQHCUMBSA-N 2 1 222.376 2.391 10 0 BEAEMP C[N@H+](CCN1CCCC1=[NH2+])Cc1ccccc1 ZINC000306520694 360357384 /nfs/dbraw/zinc/35/73/84/360357384.db2.gz LGHWRDISVXJIRA-UHFFFAOYSA-N 2 1 231.343 2.191 10 0 BEAEMP C[N@@H+](CCN1CCCC1=[NH2+])Cc1ccccc1 ZINC000306520694 360357388 /nfs/dbraw/zinc/35/73/88/360357388.db2.gz LGHWRDISVXJIRA-UHFFFAOYSA-N 2 1 231.343 2.191 10 0 BEAEMP CC[N@H+](Cc1ccccc1)C[C@H](C[NH3+])C1CC1 ZINC000306586108 360485153 /nfs/dbraw/zinc/48/51/53/360485153.db2.gz RBYYIMDEBHOZKI-HNNXBMFYSA-N 2 1 232.371 2.493 10 0 BEAEMP C[N@H+]1CCC[C@H](C[NH3+])[C@@H]1c1ccsc1 ZINC000069796336 360557975 /nfs/dbraw/zinc/55/79/75/360557975.db2.gz DGYQZTOEKOLBBM-MWLCHTKSSA-N 2 1 210.346 2.090 10 0 BEAEMP Cc1cc(C)cc([C@H]2C[C@@H]([NH3+])CC[N@@H+]2C)c1 ZINC000074081418 541312950 /nfs/dbraw/zinc/31/29/50/541312950.db2.gz IOSQOEUPJUENIE-UONOGXRCSA-N 2 1 218.344 2.397 10 0 BEAEMP CC(C)C[N@@H+](C)Cc1cccc2c1CC[NH2+]C2 ZINC000123895249 541318671 /nfs/dbraw/zinc/31/86/71/541318671.db2.gz LCJDPPDQIPVMEK-UHFFFAOYSA-N 2 1 232.371 2.420 10 0 BEAEMP CO[C@@H]1C[N@@H+](C[C@H](C)CC(C)C)[C@@](C)(C[NH3+])C1 ZINC000630370010 364088171 /nfs/dbraw/zinc/08/81/71/364088171.db2.gz YJAYDCHHHZHORS-HZSPNIEDSA-N 2 1 242.407 2.107 10 0 BEAEMP [NH3+][C@@H]1CCCCCN(c2cc[nH+]cc2Cl)C1 ZINC000630550765 364243920 /nfs/dbraw/zinc/24/39/20/364243920.db2.gz ULLQJJOWOBLRJL-SNVBAGLBSA-N 2 1 239.750 2.443 10 0 BEAEMP [NH3+]CC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000038343314 181364925 /nfs/dbraw/zinc/36/49/25/181364925.db2.gz AKNRJMCMMROJED-GOOCMWNKSA-N 2 1 230.355 2.388 10 0 BEAEMP [NH3+]CCCCC[N@H+]1CCc2ccccc2C1 ZINC000049580616 181374835 /nfs/dbraw/zinc/37/48/35/181374835.db2.gz ZNYDJYHCKBOCOU-UHFFFAOYSA-N 2 1 218.344 2.174 10 0 BEAEMP [NH3+]CCC[N@@H+](Cc1ccccn1)C1CCCC1 ZINC000036732164 181380046 /nfs/dbraw/zinc/38/00/46/181380046.db2.gz CPPPXJCCNCFUMP-UHFFFAOYSA-N 2 1 233.359 2.175 10 0 BEAEMP [NH3+]CCC[C@H]1CCC[N@H+]1CCOc1ccccc1 ZINC000104320885 181385844 /nfs/dbraw/zinc/38/58/44/181385844.db2.gz RFLOPGXKGMCSMP-AWEZNQCLSA-N 2 1 248.370 2.269 10 0 BEAEMP C[C@H]1C[N@@H+](CCCC2CCC2)C[C@@H]1C[NH3+] ZINC000631836728 369088183 /nfs/dbraw/zinc/08/81/83/369088183.db2.gz FZKXJWXTONATET-AAEUAGOBSA-N 2 1 210.365 2.093 10 0 BEAEMP C[C@@H]1C[N@@H+](CC2CCCCC2)C[C@@H]1C[NH3+] ZINC000631839740 369170511 /nfs/dbraw/zinc/17/05/11/369170511.db2.gz KFMZMSKVSFPESR-YPMHNXCESA-N 2 1 210.365 2.093 10 0 BEAEMP C[C@H]1C[N@@H+](CCCC(C)(C)C)C[C@@H]1C[NH3+] ZINC000631837830 372630280 /nfs/dbraw/zinc/63/02/80/372630280.db2.gz FYGCXUVPJRURON-RYUDHWBXSA-N 2 1 212.381 2.339 10 0 BEAEMP C[C@H](c1ccccc1)[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631843057 372641086 /nfs/dbraw/zinc/64/10/86/372641086.db2.gz IYTBBTLFGLFRGA-BZPMIXESSA-N 2 1 218.344 2.274 10 0 BEAEMP Cc1cc(C)cc(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000631844458 372642944 /nfs/dbraw/zinc/64/29/44/372642944.db2.gz XLDPZFZRFUFVRV-HIFRSBDPSA-N 2 1 232.371 2.330 10 0 BEAEMP Cc1cc(C)cc(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000631844460 372643418 /nfs/dbraw/zinc/64/34/18/372643418.db2.gz XLDPZFZRFUFVRV-ZFWWWQNUSA-N 2 1 232.371 2.330 10 0 BEAEMP CC(C)[NH2+]CC[N@@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC000245224859 373198598 /nfs/dbraw/zinc/19/85/98/373198598.db2.gz GRAYTPDGPOMPSD-KGLIPLIRSA-N 2 1 224.392 2.497 10 0 BEAEMP CC(C)[NH2+]CC[N@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC000245224859 373198602 /nfs/dbraw/zinc/19/86/02/373198602.db2.gz GRAYTPDGPOMPSD-KGLIPLIRSA-N 2 1 224.392 2.497 10 0 BEAEMP CC[N@H+]1CC[C@H](C[NH3+])[C@@H]1c1cccs1 ZINC000069797045 373807069 /nfs/dbraw/zinc/80/70/69/373807069.db2.gz QLFKYTPQXNLPEE-MWLCHTKSSA-N 2 1 210.346 2.090 10 0 BEAEMP CCCC[C@H](C[NH3+])[N@@H+]1CCC[C@H](OCCC)C1 ZINC000042421217 169002637 /nfs/dbraw/zinc/00/26/37/169002637.db2.gz FZQKGDZYWACAOX-KGLIPLIRSA-N 2 1 242.407 2.395 10 0 BEAEMP CCCC[C@H](C[NH3+])[N@H+]1CCC[C@H](OCCC)C1 ZINC000042421217 169002639 /nfs/dbraw/zinc/00/26/39/169002639.db2.gz FZQKGDZYWACAOX-KGLIPLIRSA-N 2 1 242.407 2.395 10 0 BEAEMP CCC[N@@H+](C1CCCC1)C1CC[NH2+]CC1 ZINC000037469596 169092030 /nfs/dbraw/zinc/09/20/30/169092030.db2.gz GRSCPKZSPOGMRH-UHFFFAOYSA-N 2 1 210.365 2.393 10 0 BEAEMP c1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)ccn1 ZINC000037916387 183342505 /nfs/dbraw/zinc/34/25/05/183342505.db2.gz IQBRZZXSXZGHJP-CABCVRRESA-N 2 1 245.370 2.046 10 0 BEAEMP c1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)ccn1 ZINC000037916387 183342507 /nfs/dbraw/zinc/34/25/07/183342507.db2.gz IQBRZZXSXZGHJP-CABCVRRESA-N 2 1 245.370 2.046 10 0 BEAEMP c1cc2c(cc[nH+]c2[C@@H]2CCC[NH2+]C2)[nH]1 ZINC000074211611 183363368 /nfs/dbraw/zinc/36/33/68/183363368.db2.gz MWCMLSIEMSZLRK-SECBINFHSA-N 2 1 201.273 2.030 10 0 BEAEMP CCC[NH2+]C1CC[NH+]([C@H](C)[C@H]2CCCO2)CC1 ZINC000035735966 169255667 /nfs/dbraw/zinc/25/56/67/169255667.db2.gz GPQKCPPKVJHLAN-TZMCWYRMSA-N 2 1 240.391 2.018 10 0 BEAEMP CCC[NH2+]CC1(C[N@@H+](C)CCC)CCOCC1 ZINC000052181331 169257593 /nfs/dbraw/zinc/25/75/93/169257593.db2.gz XTKZYBOBCHJMFJ-UHFFFAOYSA-N 2 1 242.407 2.125 10 0 BEAEMP CCC[NH2+]CC[N@@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000044381088 169258167 /nfs/dbraw/zinc/25/81/67/169258167.db2.gz XJJYIGYEJPSVBJ-ZIAGYGMSSA-N 2 1 224.392 2.498 10 0 BEAEMP CCC[NH2+]CC[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000044381088 169258168 /nfs/dbraw/zinc/25/81/68/169258168.db2.gz XJJYIGYEJPSVBJ-ZIAGYGMSSA-N 2 1 224.392 2.498 10 0 BEAEMP CCC[NH2+]CC[C@@H](C)[N@@H+](C)CC1CCOCC1 ZINC000104195009 169260294 /nfs/dbraw/zinc/26/02/94/169260294.db2.gz CZTOXMKKGBONCT-CYBMUJFWSA-N 2 1 242.407 2.123 10 0 BEAEMP CCC[NH2+]C[C@H](C)C[N@@H+]1C[C@H](C)OC[C@@H]1CC ZINC000052570832 169263843 /nfs/dbraw/zinc/26/38/43/169263843.db2.gz VMDQIVAQGOVXOO-IHRRRGAJSA-N 2 1 242.407 2.121 10 0 BEAEMP CCC[NH2+]C[C@H](C)C[N@H+]1C[C@H](C)OC[C@@H]1CC ZINC000052570832 169263845 /nfs/dbraw/zinc/26/38/45/169263845.db2.gz VMDQIVAQGOVXOO-IHRRRGAJSA-N 2 1 242.407 2.121 10 0 BEAEMP CCC[NH2+]C[C@@](C)(CC)C[N@@H+](CCO)C(C)C ZINC000051284712 169264090 /nfs/dbraw/zinc/26/40/90/169264090.db2.gz BUSNOVMDCMSXEV-CQSZACIVSA-N 2 1 244.423 2.105 10 0 BEAEMP CCC[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C[C@@H]1C ZINC000049694126 169282110 /nfs/dbraw/zinc/28/21/10/169282110.db2.gz KRHZOUMILCWZEV-NWDGAFQWSA-N 2 1 212.381 2.495 10 0 BEAEMP CCC[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)[C@H](C)C1 ZINC000049694054 169282505 /nfs/dbraw/zinc/28/25/05/169282505.db2.gz ZQAKWUWWKDQIOG-MCIONIFRSA-N 2 1 240.391 2.018 10 0 BEAEMP CCC[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)[C@H](C)C1 ZINC000049694054 169282508 /nfs/dbraw/zinc/28/25/08/169282508.db2.gz ZQAKWUWWKDQIOG-MCIONIFRSA-N 2 1 240.391 2.018 10 0 BEAEMP CCCO[C@H]1CCC[N@@H+](C2(C[NH3+])CCCC2)C1 ZINC000042421295 169311945 /nfs/dbraw/zinc/31/19/45/169311945.db2.gz OEUFJLAQYDTYAE-ZDUSSCGKSA-N 2 1 240.391 2.149 10 0 BEAEMP CCCO[C@H]1CCC[N@H+](C2(C[NH3+])CCCC2)C1 ZINC000042421295 169311946 /nfs/dbraw/zinc/31/19/46/169311946.db2.gz OEUFJLAQYDTYAE-ZDUSSCGKSA-N 2 1 240.391 2.149 10 0 BEAEMP CCCO[C@@H]1CCC[N@H+]([C@@](C)(C[NH3+])C(C)C)C1 ZINC000042421220 169312351 /nfs/dbraw/zinc/31/23/51/169312351.db2.gz QPJPUMKOIJOMOD-KGLIPLIRSA-N 2 1 242.407 2.251 10 0 BEAEMP CCCO[C@H]1CCC[N@H+](CC2([NH3+])CCCC2)C1 ZINC000042425519 169312412 /nfs/dbraw/zinc/31/24/12/169312412.db2.gz MGFCOXJZKSVTDT-ZDUSSCGKSA-N 2 1 240.391 2.149 10 0 BEAEMP CCCO[C@H]1CCC[N@@H+](CC2([NH3+])CCCC2)C1 ZINC000042425519 169312414 /nfs/dbraw/zinc/31/24/14/169312414.db2.gz MGFCOXJZKSVTDT-ZDUSSCGKSA-N 2 1 240.391 2.149 10 0 BEAEMP CCC[NH2+][C@H]1CC[N@H+](C2CCC2)C[C@@H]1C ZINC000052210776 169292097 /nfs/dbraw/zinc/29/20/97/169292097.db2.gz VNMGMFAOWYPYHT-AAEUAGOBSA-N 2 1 210.365 2.249 10 0 BEAEMP CCC[C@@H]([NH3+])[C@H](CC)[N@H+](C)CCc1ccccn1 ZINC000020260822 169393011 /nfs/dbraw/zinc/39/30/11/169393011.db2.gz UZFQFDQRGCKLOJ-CABCVRRESA-N 2 1 249.402 2.462 10 0 BEAEMP CCC[C@@H]([NH3+])[C@H](CC)[N@@H+](C)CCc1ccccn1 ZINC000020260822 169393012 /nfs/dbraw/zinc/39/30/12/169393012.db2.gz UZFQFDQRGCKLOJ-CABCVRRESA-N 2 1 249.402 2.462 10 0 BEAEMP CC[C@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)C(C)C ZINC000371480738 383830827 /nfs/dbraw/zinc/83/08/27/383830827.db2.gz QLLSDOMAFRVHLF-RYUDHWBXSA-N 2 1 221.348 2.222 10 0 BEAEMP C1CC([NH2+][C@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000134682467 384384800 /nfs/dbraw/zinc/38/48/00/384384800.db2.gz UZSNPPGTZNGCGO-LBPRGKRZSA-N 2 1 208.349 2.145 10 0 BEAEMP C1CC([NH2+][C@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000134682467 384384804 /nfs/dbraw/zinc/38/48/04/384384804.db2.gz UZSNPPGTZNGCGO-LBPRGKRZSA-N 2 1 208.349 2.145 10 0 BEAEMP CCC[C@@H]1C[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000300369473 384702992 /nfs/dbraw/zinc/70/29/92/384702992.db2.gz RHCLBWFLCMCPKE-JWURUJNWSA-N 2 1 222.376 2.390 10 0 BEAEMP CCCC[C@@H](C)[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000310018624 384787607 /nfs/dbraw/zinc/78/76/07/384787607.db2.gz MBRBERACOFPLOY-NEPJUHHUSA-N 2 1 221.348 2.366 10 0 BEAEMP CC(C)CC[NH2+]C[C@@H]1CCn2cc[nH+]c2C1 ZINC000364611574 384898036 /nfs/dbraw/zinc/89/80/36/384898036.db2.gz YZMDLFKGGFRKBS-GFCCVEGCSA-N 2 1 221.348 2.081 10 0 BEAEMP CC(C)=CC[NH2+]C[C@@H]1CCn2cc[nH+]c2C1 ZINC000365551590 384907013 /nfs/dbraw/zinc/90/70/13/384907013.db2.gz HYTYPGGEHMCJOV-GFCCVEGCSA-N 2 1 219.332 2.001 10 0 BEAEMP C[C@@H](CCC[NH3+])Nc1[nH+]c2ccccc2n1C ZINC000310350670 384994242 /nfs/dbraw/zinc/99/42/42/384994242.db2.gz PEDPPLQHZJTSKH-JTQLQIEISA-N 2 1 232.331 2.113 10 0 BEAEMP CSCC[N@H+]1CCC[C@@H]1Cn1ccnc1C ZINC000178315701 385353660 /nfs/dbraw/zinc/35/36/60/385353660.db2.gz WGQJQCOFEHLEIV-GFCCVEGCSA-N 2 1 239.388 2.019 10 0 BEAEMP c1cn2c([nH+]1)CC[C@H](C[NH2+]C[C@@H]1CC=CCC1)C2 ZINC000275507418 385453241 /nfs/dbraw/zinc/45/32/41/385453241.db2.gz KCESEVGRFPUTBG-ZIAGYGMSSA-N 2 1 245.370 2.391 10 0 BEAEMP c1cn2c([nH+]1)CC[C@@H]([NH2+]C1CCCCC1)C2 ZINC000309672514 385786260 /nfs/dbraw/zinc/78/62/60/385786260.db2.gz KMZWZUOUYALGTC-GFCCVEGCSA-N 2 1 219.332 2.120 10 0 BEAEMP CCC[C@@H]1C[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000336644573 386594376 /nfs/dbraw/zinc/59/43/76/386594376.db2.gz CHOWTIBLUQBHTM-RISCZKNCSA-N 2 1 222.376 2.391 10 0 BEAEMP C[C@@H]([NH3+])C[C@H](C)Nc1[nH]c2ccccc2[nH+]1 ZINC000320571679 386619755 /nfs/dbraw/zinc/61/97/55/386619755.db2.gz SKWIDEKRINGKPB-BDAKNGLRSA-N 2 1 218.304 2.101 10 0 BEAEMP C[C@H]1CC(C)(C)C[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000334854425 386905091 /nfs/dbraw/zinc/90/50/91/386905091.db2.gz MXRGYIRBIBGOLL-RYUDHWBXSA-N 2 1 210.365 2.106 10 0 BEAEMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@H](C1CC1)C1CCC1 ZINC000396696114 387485681 /nfs/dbraw/zinc/48/56/81/387485681.db2.gz FATWZOKLUVMXLT-GDLCADMTSA-N 2 1 222.376 2.295 10 0 BEAEMP CC[C@]1([NH3+])CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000575562204 387700874 /nfs/dbraw/zinc/70/08/74/387700874.db2.gz ZHXPTTZXIIJRLF-JSGCOSHPSA-N 2 1 218.344 2.388 10 0 BEAEMP CC[C@]1([NH3+])CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000575562204 387700877 /nfs/dbraw/zinc/70/08/77/387700877.db2.gz ZHXPTTZXIIJRLF-JSGCOSHPSA-N 2 1 218.344 2.388 10 0 BEAEMP C1CC1[N@@H+]1CCC[C@H]2C[NH+](C3CCC3)CC[C@H]21 ZINC000245595637 388424905 /nfs/dbraw/zinc/42/49/05/388424905.db2.gz IJMIXASKKHRQSM-SWLSCSKDSA-N 2 1 234.387 2.488 10 0 BEAEMP C1CC1[N@H+]1CCC[C@H]2C[NH+](C3CCC3)CC[C@H]21 ZINC000245595637 388424908 /nfs/dbraw/zinc/42/49/08/388424908.db2.gz IJMIXASKKHRQSM-SWLSCSKDSA-N 2 1 234.387 2.488 10 0 BEAEMP C1CC1[NH+]1CCC[C@H]2C[N@@H+](C3CCC3)CC[C@H]21 ZINC000245595637 388424910 /nfs/dbraw/zinc/42/49/10/388424910.db2.gz IJMIXASKKHRQSM-SWLSCSKDSA-N 2 1 234.387 2.488 10 0 BEAEMP C1CC1[NH+]1CCC[C@H]2C[N@H+](C3CCC3)CC[C@H]21 ZINC000245595637 388424912 /nfs/dbraw/zinc/42/49/12/388424912.db2.gz IJMIXASKKHRQSM-SWLSCSKDSA-N 2 1 234.387 2.488 10 0 BEAEMP C[C@H]([NH2+][C@H]1CCC[NH2+][C@H]1C)[C@@H]1CC1(C)C ZINC000397670609 388488751 /nfs/dbraw/zinc/48/87/51/388488751.db2.gz QDGOGMBTHLEUFQ-BJDJZHNGSA-N 2 1 210.365 2.151 10 0 BEAEMP C[C@H]([NH2+][C@H]1CCC[NH2+][C@H]1C)[C@H]1CC1(C)C ZINC000397670619 388488806 /nfs/dbraw/zinc/48/88/06/388488806.db2.gz QDGOGMBTHLEUFQ-YFKTTZPYSA-N 2 1 210.365 2.151 10 0 BEAEMP C[C@H](CCC1CC1)[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000398161375 388518147 /nfs/dbraw/zinc/51/81/47/388518147.db2.gz IGIRFHSTGMGVRR-MDZLAQPJSA-N 2 1 210.365 2.295 10 0 BEAEMP [NH3+][C@@]1(c2ccccc2)CCC[N@@H+]2CCC[C@H]21 ZINC000114726829 388589703 /nfs/dbraw/zinc/58/97/03/388589703.db2.gz ROECKPIOTAYTTF-UONOGXRCSA-N 2 1 216.328 2.099 10 0 BEAEMP [NH3+][C@@]1(c2ccccc2)CCC[N@H+]2CCC[C@H]21 ZINC000114726829 388589704 /nfs/dbraw/zinc/58/97/04/388589704.db2.gz ROECKPIOTAYTTF-UONOGXRCSA-N 2 1 216.328 2.099 10 0 BEAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000250644014 388700879 /nfs/dbraw/zinc/70/08/79/388700879.db2.gz IFQRFSKEHYUZAT-RBSFLKMASA-N 2 1 230.355 2.246 10 0 BEAEMP C(=C/c1ccccc1)\C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261553072 533354173 /nfs/dbraw/zinc/35/41/73/533354173.db2.gz ACBSYRKGRYGNKV-YOSLTCIPSA-N 2 1 242.366 2.384 10 0 BEAEMP C(=C/c1ccccc1)\C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261553072 533354176 /nfs/dbraw/zinc/35/41/76/533354176.db2.gz ACBSYRKGRYGNKV-YOSLTCIPSA-N 2 1 242.366 2.384 10 0 BEAEMP CC[NH2+]C[C@H]1CCCCN1c1cc(C)[nH+]c(C)n1 ZINC000053698056 132363170 /nfs/dbraw/zinc/36/31/70/132363170.db2.gz KIRRHNJVOLFVRQ-CYBMUJFWSA-N 2 1 248.374 2.062 10 0 BEAEMP Cc1ccc(N2CCC([C@H]3CCC[NH2+]3)CC2)[nH+]c1 ZINC000063201223 132389280 /nfs/dbraw/zinc/38/92/80/132389280.db2.gz WBFJPEWKEZLHHN-CQSZACIVSA-N 2 1 245.370 2.358 10 0 BEAEMP C[C@H]1CCCN(c2cc[nH+]cc2Cl)[C@@H]1C[NH3+] ZINC000086840028 135097664 /nfs/dbraw/zinc/09/76/64/135097664.db2.gz MPXJOXMKTWTCFP-JOYOIKCWSA-N 2 1 239.750 2.299 10 0 BEAEMP C[C@@H]1CCCN(c2cc[nH+]cc2Cl)[C@@H]1C[NH3+] ZINC000086840026 135097933 /nfs/dbraw/zinc/09/79/33/135097933.db2.gz MPXJOXMKTWTCFP-BXKDBHETSA-N 2 1 239.750 2.299 10 0 BEAEMP C[C@@H]1[C@@H]([NH3+])CC[N@H+]1CC1CCC(C)CC1 ZINC000261536978 135109061 /nfs/dbraw/zinc/10/90/61/135109061.db2.gz ULIUWVVUIDXIOR-KPFVRQRISA-N 2 1 210.365 2.234 10 0 BEAEMP COc1ccccc1C[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000258611460 135132657 /nfs/dbraw/zinc/13/26/57/135132657.db2.gz AYXCZAPNZWRIBX-CQSZACIVSA-N 2 1 248.370 2.254 10 0 BEAEMP COc1ccccc1C[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000258611460 135132658 /nfs/dbraw/zinc/13/26/58/135132658.db2.gz AYXCZAPNZWRIBX-CQSZACIVSA-N 2 1 248.370 2.254 10 0 BEAEMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1C[C@H]1CCCC(F)(F)C1 ZINC000261538246 135175273 /nfs/dbraw/zinc/17/52/73/135175273.db2.gz UGEOONNLIBNMLK-GRYCIOLGSA-N 2 1 246.345 2.481 10 0 BEAEMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC000261538277 135175402 /nfs/dbraw/zinc/17/54/02/135175402.db2.gz VCIOJOMDSVQUED-NEPJUHHUSA-N 2 1 246.345 2.353 10 0 BEAEMP [NH3+]C[C@@H]1CCC[N@@H+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC000261538155 135175515 /nfs/dbraw/zinc/17/55/15/135175515.db2.gz JYNKNPGEKVJAPV-NEPJUHHUSA-N 2 1 246.345 2.483 10 0 BEAEMP CC1CCC(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000261540589 135180262 /nfs/dbraw/zinc/18/02/62/135180262.db2.gz AHJDQZHRDXWWPT-WUCCLRPBSA-N 2 1 236.403 2.354 10 0 BEAEMP CC1CCC(C[N@H+]2CCC[C@@H](C[NH3+])C2)CC1 ZINC000084339658 135210495 /nfs/dbraw/zinc/21/04/95/135210495.db2.gz SPFWUHOXAFEVFU-RUXDESIVSA-N 2 1 224.392 2.483 10 0 BEAEMP Clc1c[nH+]ccc1NC[C@H]1CCCC[NH2+]1 ZINC000086839749 487562384 /nfs/dbraw/zinc/56/23/84/487562384.db2.gz PHMCCOVEYZFTMF-SECBINFHSA-N 2 1 225.723 2.289 10 0 BEAEMP CC[C@H](CC(F)F)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000662266590 409566987 /nfs/dbraw/zinc/56/69/87/409566987.db2.gz NIONPDIVYPISIM-RHYQMDGZSA-N 2 1 246.345 2.337 10 0 BEAEMP CC(C)[C@H]([NH2+][C@H]1CCC[NH2+][C@H]1C)C1CC1 ZINC000396654764 410892918 /nfs/dbraw/zinc/89/29/18/410892918.db2.gz FNPKIMXVFVSYEY-DRZSPHRISA-N 2 1 210.365 2.151 10 0 BEAEMP C[C@H](Cc1cccs1)[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000396640915 410894310 /nfs/dbraw/zinc/89/43/10/410894310.db2.gz MVHRREMUPQUICM-WZRBSPASSA-N 2 1 238.400 2.409 10 0 BEAEMP CC(C)C[NH2+]CCCC[N@H+]1CCOCC1(C)C ZINC000052546025 167002828 /nfs/dbraw/zinc/00/28/28/167002828.db2.gz LGUDIJCOALSLKE-UHFFFAOYSA-N 2 1 242.407 2.123 10 0 BEAEMP CC(C)[NH2+]CCCC[N@@H+](C)C[C@H]1CCCOC1 ZINC000104189220 167101989 /nfs/dbraw/zinc/10/19/89/167101989.db2.gz PNSDEWJHWPGZKV-CQSZACIVSA-N 2 1 242.407 2.123 10 0 BEAEMP CC(C)[NH2+]CCC[C@H](C)[N@H+]1CCOCC1(C)C ZINC000052546159 167102014 /nfs/dbraw/zinc/10/20/14/167102014.db2.gz BISSCBIWGASXJY-ZDUSSCGKSA-N 2 1 242.407 2.264 10 0 BEAEMP CC(C)[NH2+]C[C@@H](C(C)C)[N@@H+]1CCCO[C@H](C)C1 ZINC000061935673 167109020 /nfs/dbraw/zinc/10/90/20/167109020.db2.gz LJCUBQUZKZCRKS-KGLIPLIRSA-N 2 1 242.407 2.120 10 0 BEAEMP CC(C)[NH2+]C[C@@H](C(C)C)[N@H+]1CCCO[C@H](C)C1 ZINC000061935673 167109021 /nfs/dbraw/zinc/10/90/21/167109021.db2.gz LJCUBQUZKZCRKS-KGLIPLIRSA-N 2 1 242.407 2.120 10 0 BEAEMP CC(C)[C@@H](C)[N@@H+](C)Cc1ccccc1C(N)=[NH2+] ZINC000036787463 167367522 /nfs/dbraw/zinc/36/75/22/167367522.db2.gz LXTRHTQTNRHVHA-LLVKDONJSA-N 2 1 233.359 2.447 10 0 BEAEMP CC(C)[C@@H](C)[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000309670069 167382844 /nfs/dbraw/zinc/38/28/44/167382844.db2.gz JMFBCUIFHDIUMO-NEPJUHHUSA-N 2 1 221.348 2.080 10 0 BEAEMP CC[N@@H+]1CC[C@@H](CNc2[nH+]cccc2C)C1 ZINC000051040951 170009657 /nfs/dbraw/zinc/00/96/57/170009657.db2.gz UCNYRBQBCYXQSE-LBPRGKRZSA-N 2 1 219.332 2.144 10 0 BEAEMP CC[N@H+]1CC[C@@H](CNc2[nH+]cccc2C)C1 ZINC000051040951 170009659 /nfs/dbraw/zinc/00/96/59/170009659.db2.gz UCNYRBQBCYXQSE-LBPRGKRZSA-N 2 1 219.332 2.144 10 0 BEAEMP CC[NH2+]C[C@@H](C(C)C)[N@@H+](CCOC)[C@@H](C)CC ZINC000052547178 170118057 /nfs/dbraw/zinc/11/80/57/170118057.db2.gz FBGPFHXLKLUTLN-KBPBESRZSA-N 2 1 244.423 2.367 10 0 BEAEMP CC[NH2+]C[C@H](C)C[N@@H+](C)CC1CCCC1 ZINC000069625404 170121514 /nfs/dbraw/zinc/12/15/14/170121514.db2.gz WJBMXZHIVRNCJQ-LBPRGKRZSA-N 2 1 212.381 2.354 10 0 BEAEMP CC[NH2+]C[C@H]1CC[N@H+](Cc2ccc(OC)cc2)C1 ZINC000053011092 170122782 /nfs/dbraw/zinc/12/27/82/170122782.db2.gz HFDCPUFMMNYHQQ-CQSZACIVSA-N 2 1 248.370 2.127 10 0 BEAEMP CC[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(OC)cc2)C1 ZINC000053011092 170122783 /nfs/dbraw/zinc/12/27/83/170122783.db2.gz HFDCPUFMMNYHQQ-CQSZACIVSA-N 2 1 248.370 2.127 10 0 BEAEMP CC[NH2+][C@@H]1CCC[C@@H]1C[N@H+](C)Cc1cccnc1 ZINC000053867308 170150394 /nfs/dbraw/zinc/15/03/94/170150394.db2.gz BGFJEXBXUSHEMG-HUUCEWRRSA-N 2 1 247.386 2.292 10 0 BEAEMP CC[NH2+][C@@H]1CCC[C@@H]1C[N@@H+](C)Cc1cccnc1 ZINC000053867308 170150396 /nfs/dbraw/zinc/15/03/96/170150396.db2.gz BGFJEXBXUSHEMG-HUUCEWRRSA-N 2 1 247.386 2.292 10 0 BEAEMP CC[NH2+][C@@H]1CCCC[C@@H]1[N@H+](CC)CCOCC ZINC000104186833 170150491 /nfs/dbraw/zinc/15/04/91/170150491.db2.gz LHNZEZRVQBDBII-KGLIPLIRSA-N 2 1 242.407 2.266 10 0 BEAEMP CC[NH2+][C@@H]1CCCC[C@@H]1[N@@H+](CC)CCOCC ZINC000104186833 170150492 /nfs/dbraw/zinc/15/04/92/170150492.db2.gz LHNZEZRVQBDBII-KGLIPLIRSA-N 2 1 242.407 2.266 10 0 BEAEMP CC[NH2+][C@@H]1CC[N@H+](CC2CCCCC2)C1 ZINC000037259759 170151462 /nfs/dbraw/zinc/15/14/62/170151462.db2.gz QAUIIZBIXPZVFO-CYBMUJFWSA-N 2 1 210.365 2.251 10 0 BEAEMP CC[NH2+][C@@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC000037259759 170151464 /nfs/dbraw/zinc/15/14/64/170151464.db2.gz QAUIIZBIXPZVFO-CYBMUJFWSA-N 2 1 210.365 2.251 10 0 BEAEMP CC[NH2+][C@@H]1CC[N@@H+](CC(C)(C)C)C[C@@H]1C ZINC000049713169 170151602 /nfs/dbraw/zinc/15/16/02/170151602.db2.gz CIWPUYJPDHRDOJ-NWDGAFQWSA-N 2 1 212.381 2.352 10 0 BEAEMP CCOCCC[NH2+]C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000053486431 170380449 /nfs/dbraw/zinc/38/04/49/170380449.db2.gz UUSZFDHLULEZEJ-UONOGXRCSA-N 2 1 242.407 2.123 10 0 BEAEMP CCOCCC[NH2+]C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000053486431 170380450 /nfs/dbraw/zinc/38/04/50/170380450.db2.gz UUSZFDHLULEZEJ-UONOGXRCSA-N 2 1 242.407 2.123 10 0 BEAEMP CC[C@@H]1CCC[N@H+]1CC1CCC([NH3+])CC1 ZINC000037914215 170981604 /nfs/dbraw/zinc/98/16/04/170981604.db2.gz RXXCQQKLSTXKDB-WXRRBKDZSA-N 2 1 210.365 2.378 10 0 BEAEMP CC[C@@H]1CC[N@H+](Cc2ccccc2)CC[NH2+]1 ZINC000049661276 171012386 /nfs/dbraw/zinc/01/23/86/171012386.db2.gz MGUBGNWZQLCQMU-CQSZACIVSA-N 2 1 218.344 2.261 10 0 BEAEMP CC[C@@H]1CC[N@@H+](Cc2ccccc2)CC[NH2+]1 ZINC000049661276 171012387 /nfs/dbraw/zinc/01/23/87/171012387.db2.gz MGUBGNWZQLCQMU-CQSZACIVSA-N 2 1 218.344 2.261 10 0 BEAEMP CC[C@@H]1CC[N@H+](Cc2cccnc2)CCC[NH2+]1 ZINC000049666566 171012517 /nfs/dbraw/zinc/01/25/17/171012517.db2.gz IMMRMOCPYVBVEO-CQSZACIVSA-N 2 1 233.359 2.046 10 0 BEAEMP CC[C@@H]1CC[N@@H+](Cc2cccnc2)CCC[NH2+]1 ZINC000049666566 171012518 /nfs/dbraw/zinc/01/25/18/171012518.db2.gz IMMRMOCPYVBVEO-CQSZACIVSA-N 2 1 233.359 2.046 10 0 BEAEMP CC[C@@H]1CC[C@H](C[NH3+])[C@H]([N@@H+](C)CCCOC)C1 ZINC000062029616 171055433 /nfs/dbraw/zinc/05/54/33/171055433.db2.gz SSJQXAJLUJDSAW-MGPQQGTHSA-N 2 1 242.407 2.108 10 0 BEAEMP CC[C@@H]1C[N@H+]([C@@H](C)CCC[NH2+]C(C)C)CCO1 ZINC000052477270 171094843 /nfs/dbraw/zinc/09/48/43/171094843.db2.gz KPOXFOUFWCSTLA-UONOGXRCSA-N 2 1 242.407 2.264 10 0 BEAEMP CC[C@@H]1COCC[N@H+]1CCCCC[NH2+]C(C)C ZINC000052481589 171106209 /nfs/dbraw/zinc/10/62/09/171106209.db2.gz MZXWMBAWURLSHK-CQSZACIVSA-N 2 1 242.407 2.266 10 0 BEAEMP CC[C@@](C)(C[NH3+])C[N@H+]1CCc2sccc2C1 ZINC000051210743 171166146 /nfs/dbraw/zinc/16/61/46/171166146.db2.gz GAGSZOQJYLYWDA-ZDUSSCGKSA-N 2 1 238.400 2.481 10 0 BEAEMP CC[C@@](C)(C[NH2+]CC(C)C)C[N@@H+](C)CCOC ZINC000051258908 171167058 /nfs/dbraw/zinc/16/70/58/171167058.db2.gz XNWZPWUTVDLODL-AWEZNQCLSA-N 2 1 244.423 2.227 10 0 BEAEMP CC[C@H](C)[N@@H+](CCOC)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000042562933 171316063 /nfs/dbraw/zinc/31/60/63/171316063.db2.gz FKKSHPMCDFMGTM-BFHYXJOUSA-N 2 1 242.407 2.251 10 0 BEAEMP CCc1[nH+]ccn1[C@H](c1ccsc1)[C@H](C)[NH3+] ZINC000043124269 172028786 /nfs/dbraw/zinc/02/87/86/172028786.db2.gz OIZROEMEJNARAH-CABZTGNLSA-N 2 1 235.356 2.444 10 0 BEAEMP CCc1[nH+]ccn1[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000042962436 172029155 /nfs/dbraw/zinc/02/91/55/172029155.db2.gz JGXHCJOBIRTSQZ-CYBMUJFWSA-N 2 1 245.326 2.002 10 0 BEAEMP CCc1[nH+]ccn1[C@H](C[NH3+])c1ccsc1 ZINC000043124265 172029680 /nfs/dbraw/zinc/02/96/80/172029680.db2.gz JGANZEPDCDBKFW-SNVBAGLBSA-N 2 1 221.329 2.055 10 0 BEAEMP CCc1[nH+]ccn1[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000042916009 172029763 /nfs/dbraw/zinc/02/97/63/172029763.db2.gz VMQPIZMGYHIRIE-LBPRGKRZSA-N 2 1 233.290 2.133 10 0 BEAEMP CCn1cccc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000091025166 172207201 /nfs/dbraw/zinc/20/72/01/172207201.db2.gz XGXGRQXUWNHKRB-UHFFFAOYSA-N 2 1 247.386 2.224 10 0 BEAEMP C[N@H+]1CCCC[C@H]1CC[NH2+]CCc1ccccn1 ZINC000049773269 173007380 /nfs/dbraw/zinc/00/73/80/173007380.db2.gz OLAQWQQDAMYTPL-HNNXBMFYSA-N 2 1 247.386 2.088 10 0 BEAEMP C[N@H+]1CCC[C@H]2C[NH+](CCC(C)(F)F)CC[C@H]21 ZINC000336203760 173058037 /nfs/dbraw/zinc/05/80/37/173058037.db2.gz PGPJLFCSSHKVMW-NWDGAFQWSA-N 2 1 246.345 2.448 10 0 BEAEMP C[NH+]1CCC[C@H]2C[N@H+](CCC(C)(F)F)CC[C@H]21 ZINC000336203760 173058039 /nfs/dbraw/zinc/05/80/39/173058039.db2.gz PGPJLFCSSHKVMW-NWDGAFQWSA-N 2 1 246.345 2.448 10 0 BEAEMP C[NH+]1CCC[C@H]2C[N@@H+](CCC(C)(F)F)CC[C@H]21 ZINC000336203760 173058042 /nfs/dbraw/zinc/05/80/42/173058042.db2.gz PGPJLFCSSHKVMW-NWDGAFQWSA-N 2 1 246.345 2.448 10 0 BEAEMP C[N@H+]1CC[C@@H](C[NH2+]Cc2cccc(Cl)c2)C1 ZINC000037484681 173116405 /nfs/dbraw/zinc/11/64/05/173116405.db2.gz FZSXLTDQEVQDQN-LBPRGKRZSA-N 2 1 238.762 2.381 10 0 BEAEMP C[N@@H+]1CC[C@H](C[NH3+])[C@@H]1c1cccc(Cl)c1 ZINC000068592615 173145062 /nfs/dbraw/zinc/14/50/62/173145062.db2.gz ZIENPKRHFNGHTN-PWSUYJOCSA-N 2 1 224.735 2.292 10 0 BEAEMP C[N@H+]1CC[C@H](C[NH3+])[C@@H]1c1cccc(Cl)c1 ZINC000068592615 173145063 /nfs/dbraw/zinc/14/50/63/173145063.db2.gz ZIENPKRHFNGHTN-PWSUYJOCSA-N 2 1 224.735 2.292 10 0 BEAEMP C[N@H+]1CC[C@H](C[NH2+]Cc2ccc(Cl)cc2)C1 ZINC000037484573 173146952 /nfs/dbraw/zinc/14/69/52/173146952.db2.gz IKVBNPRFNJYJAO-GFCCVEGCSA-N 2 1 238.762 2.381 10 0 BEAEMP C[NH2+]C1CC[NH+](Cc2ccc(C)s2)CC1 ZINC000050225582 173323312 /nfs/dbraw/zinc/32/33/12/173323312.db2.gz ITMWLNPEAAVCFQ-UHFFFAOYSA-N 2 1 224.373 2.240 10 0 BEAEMP C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CC(C)C ZINC000054601425 173323834 /nfs/dbraw/zinc/32/38/34/173323834.db2.gz WLOYKEKVJLYUKR-YHWZYXNKSA-N 2 1 210.365 2.247 10 0 BEAEMP C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC(C)C ZINC000054601425 173323836 /nfs/dbraw/zinc/32/38/36/173323836.db2.gz WLOYKEKVJLYUKR-YHWZYXNKSA-N 2 1 210.365 2.247 10 0 BEAEMP C[NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccc(OC)cc1 ZINC000052541607 173357880 /nfs/dbraw/zinc/35/78/80/173357880.db2.gz ORZCPWRJHFGSIW-GFCCVEGCSA-N 2 1 236.359 2.125 10 0 BEAEMP C[NH2+]C[C@@H]1CC[N@H+](C2(C)CCCCC2)C1 ZINC000053034214 173369630 /nfs/dbraw/zinc/36/96/30/173369630.db2.gz PTBLZHSMLIYUIK-LBPRGKRZSA-N 2 1 210.365 2.251 10 0 BEAEMP C[NH2+]C[C@H]1CC[N@H+]([C@@H](C)c2ccsc2)C1 ZINC000061363906 173382015 /nfs/dbraw/zinc/38/20/15/173382015.db2.gz UTGXZZURKAMNBY-WDEREUQCSA-N 2 1 224.373 2.350 10 0 BEAEMP C[NH2+]Cc1ccoc1C[N@H+]1CCC[C@@H](C)C1 ZINC000052381215 173391453 /nfs/dbraw/zinc/39/14/53/173391453.db2.gz OZSZGXJFSZMNHI-LLVKDONJSA-N 2 1 222.332 2.231 10 0 BEAEMP C[NH2+]Cc1coc(C[N@H+]2CCCC[C@H]2C)c1 ZINC000052378904 173394052 /nfs/dbraw/zinc/39/40/52/173394052.db2.gz VESPAGSBOLWMFA-LLVKDONJSA-N 2 1 222.332 2.373 10 0 BEAEMP COCCCCC[N@@H+](C)[C@H]1CCN(C)[C@H](C)C1 ZINC000124048703 174175960 /nfs/dbraw/zinc/17/59/60/174175960.db2.gz XQSOTEZEVIWDHR-KGLIPLIRSA-N 2 1 242.407 2.218 10 0 BEAEMP COCCCCC[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000124048703 174175962 /nfs/dbraw/zinc/17/59/62/174175962.db2.gz XQSOTEZEVIWDHR-KGLIPLIRSA-N 2 1 242.407 2.218 10 0 BEAEMP COCCCCC[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000124048703 174175964 /nfs/dbraw/zinc/17/59/64/174175964.db2.gz XQSOTEZEVIWDHR-KGLIPLIRSA-N 2 1 242.407 2.218 10 0 BEAEMP COCCCCC[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000124048703 174175965 /nfs/dbraw/zinc/17/59/65/174175965.db2.gz XQSOTEZEVIWDHR-KGLIPLIRSA-N 2 1 242.407 2.218 10 0 BEAEMP COCCCCC[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000124048703 174175968 /nfs/dbraw/zinc/17/59/68/174175968.db2.gz XQSOTEZEVIWDHR-KGLIPLIRSA-N 2 1 242.407 2.218 10 0 BEAEMP COCC[N@H+](C1CC1)[C@@](C)(C[NH3+])CCC(C)C ZINC000042517893 174284671 /nfs/dbraw/zinc/28/46/71/174284671.db2.gz UWHWQOIWKRXBNB-CQSZACIVSA-N 2 1 242.407 2.251 10 0 BEAEMP COCC[N@@H+](C1CC1)[C@@](C)(C[NH3+])CCC(C)C ZINC000042517893 174284672 /nfs/dbraw/zinc/28/46/72/174284672.db2.gz UWHWQOIWKRXBNB-CQSZACIVSA-N 2 1 242.407 2.251 10 0 BEAEMP COCC[N@H+](C1CC1)[C@@]1(C[NH3+])CCCC[C@H]1C ZINC000042517899 174285542 /nfs/dbraw/zinc/28/55/42/174285542.db2.gz FEMBKSWMOJKWQO-TZMCWYRMSA-N 2 1 240.391 2.005 10 0 BEAEMP COCC[N@@H+](C1CC1)[C@@]1(C[NH3+])CCCC[C@H]1C ZINC000042517899 174285544 /nfs/dbraw/zinc/28/55/44/174285544.db2.gz FEMBKSWMOJKWQO-TZMCWYRMSA-N 2 1 240.391 2.005 10 0 BEAEMP COCC[N@@H+](CC(C)C)[C@@H](C)CC[NH2+]C(C)C ZINC000052508777 174286956 /nfs/dbraw/zinc/28/69/56/174286956.db2.gz FYJNNJNMDHAWCV-AWEZNQCLSA-N 2 1 244.423 2.367 10 0 BEAEMP COCC[N@@H+](CC1(C[NH3+])CCCCC1)C1CC1 ZINC000051253327 174287961 /nfs/dbraw/zinc/28/79/61/174287961.db2.gz ACGPPHAHSZMGKP-UHFFFAOYSA-N 2 1 240.391 2.006 10 0 BEAEMP COCC[N@@H+](CCCCC[NH2+]C(C)C)C1CC1 ZINC000052542495 174290842 /nfs/dbraw/zinc/29/08/42/174290842.db2.gz HHAWMCUPYWXBHA-UHFFFAOYSA-N 2 1 242.407 2.266 10 0 BEAEMP COCC[N@@H+](CCC[C@H]1CCC[NH2+]1)CC(C)C ZINC000052764475 174291114 /nfs/dbraw/zinc/29/11/14/174291114.db2.gz WCNRQVSAUDNDSQ-CQSZACIVSA-N 2 1 242.407 2.123 10 0 BEAEMP COc1cccc(C[N@H+](C)C[C@@]2(C)CC[NH2+]C2)c1 ZINC000062911581 175255343 /nfs/dbraw/zinc/25/53/43/175255343.db2.gz MNKXPHUOHUXXHC-HNNXBMFYSA-N 2 1 248.370 2.127 10 0 BEAEMP COc1cccc(C[N@@H+](C)C[C@@]2(C)CC[NH2+]C2)c1 ZINC000062911581 175255344 /nfs/dbraw/zinc/25/53/44/175255344.db2.gz MNKXPHUOHUXXHC-HNNXBMFYSA-N 2 1 248.370 2.127 10 0 BEAEMP COc1ccccc1[C@H](C)[NH+]1CCC([NH3+])CC1 ZINC000020521568 175350635 /nfs/dbraw/zinc/35/06/35/175350635.db2.gz LHFQZJUYORBTPC-NSHDSACASA-N 2 1 234.343 2.179 10 0 BEAEMP COc1ccccc1[C@H]([C@@H](C)[NH3+])n1cc[nH+]c1C ZINC000043098687 175354303 /nfs/dbraw/zinc/35/43/03/175354303.db2.gz BBUVFTPIWHAMQQ-YGRLFVJLSA-N 2 1 245.326 2.137 10 0 BEAEMP C[C@@H](c1ccccn1)[N@H+]1CC[C@@H](C)[NH2+]C[C@@H](C)C1 ZINC000049666678 176027964 /nfs/dbraw/zinc/02/79/64/176027964.db2.gz XINNRMQKLWURFW-MCIONIFRSA-N 2 1 247.386 2.463 10 0 BEAEMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1ccsc1 ZINC000042427467 176202790 /nfs/dbraw/zinc/20/27/90/176202790.db2.gz DPFOMVJJLYPKFN-MNOVXSKESA-N 2 1 224.373 2.307 10 0 BEAEMP C[C@@H]1C[N@H+](C2CCCCC2)C[C@@]1(C)C[NH3+] ZINC000335348067 176283234 /nfs/dbraw/zinc/28/32/34/176283234.db2.gz CWTGYVFDOYYDDD-DGCLKSJQSA-N 2 1 210.365 2.236 10 0 BEAEMP C[C@@H]1C[N@@H+](CCCC[NH2+]C(C)(C)C)[C@H](C)CO1 ZINC000052476234 176288037 /nfs/dbraw/zinc/28/80/37/176288037.db2.gz YJUJCCXTFNVEIQ-CHWSQXEVSA-N 2 1 242.407 2.264 10 0 BEAEMP C[C@@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@H]1[NH3+] ZINC000169616749 176306225 /nfs/dbraw/zinc/30/62/25/176306225.db2.gz NMWRIHNNQCIKCJ-YRGRVCCFSA-N 2 1 218.344 2.102 10 0 BEAEMP C[C@@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@H]1[NH3+] ZINC000169616749 176306226 /nfs/dbraw/zinc/30/62/26/176306226.db2.gz NMWRIHNNQCIKCJ-YRGRVCCFSA-N 2 1 218.344 2.102 10 0 BEAEMP C[C@@H]1C[NH2+]CCC[N@H+]([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000044660185 176324535 /nfs/dbraw/zinc/32/45/35/176324535.db2.gz MCNYFOSFCSNYAW-FVQBIDKESA-N 2 1 244.382 2.474 10 0 BEAEMP C[C@@H]1C[C@@H]([NH3+])[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000101417867 176370985 /nfs/dbraw/zinc/37/09/85/176370985.db2.gz MPGWATXLKGPBOP-YRGRVCCFSA-N 2 1 218.344 2.244 10 0 BEAEMP C[C@@H]1C[C@@H]([NH3+])[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000101417867 176370987 /nfs/dbraw/zinc/37/09/87/176370987.db2.gz MPGWATXLKGPBOP-YRGRVCCFSA-N 2 1 218.344 2.244 10 0 BEAEMP C[C@H](c1ccc[nH]1)[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000095068221 177035062 /nfs/dbraw/zinc/03/50/62/177035062.db2.gz STGUCIUDWFWLNH-VXGBXAGGSA-N 2 1 221.348 2.007 10 0 BEAEMP C[C@H](c1ccc[nH]1)[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000095068221 177035064 /nfs/dbraw/zinc/03/50/64/177035064.db2.gz STGUCIUDWFWLNH-VXGBXAGGSA-N 2 1 221.348 2.007 10 0 BEAEMP C[C@H](c1ccco1)[N@H+](C)C1CC[NH2+]CC1 ZINC000095068197 177047605 /nfs/dbraw/zinc/04/76/05/177047605.db2.gz PCTNHADVCXRGIB-SNVBAGLBSA-N 2 1 208.305 2.024 10 0 BEAEMP C[C@H](c1ccco1)[N@@H+](C)C1CC[NH2+]CC1 ZINC000095068197 177047608 /nfs/dbraw/zinc/04/76/08/177047608.db2.gz PCTNHADVCXRGIB-SNVBAGLBSA-N 2 1 208.305 2.024 10 0 BEAEMP C[C@H]1CCCC[N@@H+]1Cc1ccoc1C[NH3+] ZINC000052378759 177076856 /nfs/dbraw/zinc/07/68/56/177076856.db2.gz CDZVPMKDVFVWQB-JTQLQIEISA-N 2 1 208.305 2.113 10 0 BEAEMP C[C@H]1CCCC[N@H+]1Cc1ccoc1C[NH3+] ZINC000052378759 177076857 /nfs/dbraw/zinc/07/68/57/177076857.db2.gz CDZVPMKDVFVWQB-JTQLQIEISA-N 2 1 208.305 2.113 10 0 BEAEMP C[C@H]1CCC[N@H+]1Cc1ccc(C[NH3+])cc1F ZINC000037910074 177110121 /nfs/dbraw/zinc/11/01/21/177110121.db2.gz CNWRFKAZELTYJW-JTQLQIEISA-N 2 1 222.307 2.269 10 0 BEAEMP C[C@@H]1CC[N@H+](C[C@@H]2CCCCO2)CC[C@H](C)[NH2+]1 ZINC000042824643 177161553 /nfs/dbraw/zinc/16/15/53/177161553.db2.gz DGIDCJKZMNHUOJ-MJBXVCDLSA-N 2 1 240.391 2.018 10 0 BEAEMP C[C@H]1CC[NH+](Cc2ccco2)CC[C@H](C)[NH2+]1 ZINC000049664336 177164587 /nfs/dbraw/zinc/16/45/87/177164587.db2.gz MYTLHYOZKAFUTN-RYUDHWBXSA-N 2 1 222.332 2.242 10 0 BEAEMP C[C@@H]1C[NH2+][C@@H](C)CC[N@H+](Cc2ccco2)C1 ZINC000049664341 177164894 /nfs/dbraw/zinc/16/48/94/177164894.db2.gz BZDBMEBSTGHCTD-NEPJUHHUSA-N 2 1 222.332 2.100 10 0 BEAEMP C[C@@H]1C[NH2+][C@@H](C)CC[N@@H+](Cc2ccco2)C1 ZINC000049664341 177164895 /nfs/dbraw/zinc/16/48/95/177164895.db2.gz BZDBMEBSTGHCTD-NEPJUHHUSA-N 2 1 222.332 2.100 10 0 BEAEMP C[C@@H](c1ccncc1)[N@H+]1CC[C@H](C)[NH2+]C[C@@H](C)C1 ZINC000049666706 177170259 /nfs/dbraw/zinc/17/02/59/177170259.db2.gz CITSHMQMXAUCPR-RDBSUJKOSA-N 2 1 247.386 2.463 10 0 BEAEMP C[C@@H]([C@@H]1CCCO1)[N@@H+]1CC[C@@H](C)[NH2+][C@@H](C)CC1 ZINC000049666220 177170416 /nfs/dbraw/zinc/17/04/16/177170416.db2.gz RORNMGXJVDYNHS-CRWXNKLISA-N 2 1 240.391 2.016 10 0 BEAEMP C[C@H]1CC[N@H+]([C@@H](CC(N)=[NH2+])c2ccccc2)C1 ZINC000055023091 177170679 /nfs/dbraw/zinc/17/06/79/177170679.db2.gz XETMMTVEQOMZNJ-AAEUAGOBSA-N 2 1 231.343 2.396 10 0 BEAEMP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1cccs1 ZINC000042427266 177201077 /nfs/dbraw/zinc/20/10/77/177201077.db2.gz UULKCNKNLCNSLY-WDEREUQCSA-N 2 1 224.373 2.307 10 0 BEAEMP C[C@H]1C[N@H+](CC[C@H]2CCCC[NH+]2C)CCS1 ZINC000336467904 177253755 /nfs/dbraw/zinc/25/37/55/177253755.db2.gz UKGXMDKELSLFON-QWHCGFSZSA-N 2 1 242.432 2.298 10 0 BEAEMP C[C@H]1C[N@@H+](CC[C@H]2CCCC[NH+]2C)CCS1 ZINC000336467904 177253757 /nfs/dbraw/zinc/25/37/57/177253757.db2.gz UKGXMDKELSLFON-QWHCGFSZSA-N 2 1 242.432 2.298 10 0 BEAEMP C[C@H]1C[NH+](CC[C@H]2CCCC[N@@H+]2C)CCS1 ZINC000336467904 177253758 /nfs/dbraw/zinc/25/37/58/177253758.db2.gz UKGXMDKELSLFON-QWHCGFSZSA-N 2 1 242.432 2.298 10 0 BEAEMP C[C@H]1C[NH+](CC[C@H]2CCCC[N@H+]2C)CCS1 ZINC000336467904 177253759 /nfs/dbraw/zinc/25/37/59/177253759.db2.gz UKGXMDKELSLFON-QWHCGFSZSA-N 2 1 242.432 2.298 10 0 BEAEMP C[C@H]1C[N@@H+](CC[C@H]([NH3+])c2ccccc2)CCCO1 ZINC000061934320 177254281 /nfs/dbraw/zinc/25/42/81/177254281.db2.gz SLTFGTNZJQBDBX-ZFWWWQNUSA-N 2 1 248.370 2.187 10 0 BEAEMP C[C@@H]1C[C@H](C)C[N@H+](C[C@@H]2CCCC[C@@H]2[NH3+])C1 ZINC000058081411 177312946 /nfs/dbraw/zinc/31/29/46/177312946.db2.gz BPBXBTIVPVRTCY-CRWXNKLISA-N 2 1 224.392 2.482 10 0 BEAEMP C[C@@H]1C[C@H](C)C[N@H+](CC[C@@H]2CCC[NH2+]2)C1 ZINC000042171880 177313596 /nfs/dbraw/zinc/31/35/96/177313596.db2.gz VGNQZVZHQGPECK-XQQFMLRXSA-N 2 1 210.365 2.106 10 0 BEAEMP C[C@H]1C[C@@H]([NH+](C)CCc2ccncc2)CC[N@@H+]1C ZINC000123547567 177327415 /nfs/dbraw/zinc/32/74/15/177327415.db2.gz NBTYWYMYSVOWHV-ZFWWWQNUSA-N 2 1 247.386 2.039 10 0 BEAEMP C[C@H]1C[C@@H]([NH+](C)CCc2ccncc2)CC[N@H+]1C ZINC000123547567 177327416 /nfs/dbraw/zinc/32/74/16/177327416.db2.gz NBTYWYMYSVOWHV-ZFWWWQNUSA-N 2 1 247.386 2.039 10 0 BEAEMP C[C@H]1C[C@@H]([N@H+](C)CCc2ccncc2)CC[NH+]1C ZINC000123547567 177327417 /nfs/dbraw/zinc/32/74/17/177327417.db2.gz NBTYWYMYSVOWHV-ZFWWWQNUSA-N 2 1 247.386 2.039 10 0 BEAEMP C[C@H]1C[C@@H]([N@@H+](C)CCc2ccncc2)CC[NH+]1C ZINC000123547567 177327418 /nfs/dbraw/zinc/32/74/18/177327418.db2.gz NBTYWYMYSVOWHV-ZFWWWQNUSA-N 2 1 247.386 2.039 10 0 BEAEMP C[C@H]1C[C@H]([NH+](C)CCc2ccncc2)CC[N@@H+]1C ZINC000123547116 177364094 /nfs/dbraw/zinc/36/40/94/177364094.db2.gz NBTYWYMYSVOWHV-DZGCQCFKSA-N 2 1 247.386 2.039 10 0 BEAEMP C[C@H]1C[C@H]([NH+](C)CCc2ccncc2)CC[N@H+]1C ZINC000123547116 177364096 /nfs/dbraw/zinc/36/40/96/177364096.db2.gz NBTYWYMYSVOWHV-DZGCQCFKSA-N 2 1 247.386 2.039 10 0 BEAEMP C[C@H]1C[C@H]([N@H+](C)CCc2ccncc2)CC[NH+]1C ZINC000123547116 177364100 /nfs/dbraw/zinc/36/41/00/177364100.db2.gz NBTYWYMYSVOWHV-DZGCQCFKSA-N 2 1 247.386 2.039 10 0 BEAEMP C[C@H]1C[C@H]([N@@H+](C)CCc2ccncc2)CC[NH+]1C ZINC000123547116 177364102 /nfs/dbraw/zinc/36/41/02/177364102.db2.gz NBTYWYMYSVOWHV-DZGCQCFKSA-N 2 1 247.386 2.039 10 0 BEAEMP C[C@H]1C[C@H]([NH+](C)CCOC(C)(C)C)CC[N@@H+]1C ZINC000123661062 177364717 /nfs/dbraw/zinc/36/47/17/177364717.db2.gz ZRDTXMRCKUHXIB-QWHCGFSZSA-N 2 1 242.407 2.216 10 0 BEAEMP C[C@H]1C[C@H]([NH+](C)CCOC(C)(C)C)CC[N@H+]1C ZINC000123661062 177364719 /nfs/dbraw/zinc/36/47/19/177364719.db2.gz ZRDTXMRCKUHXIB-QWHCGFSZSA-N 2 1 242.407 2.216 10 0 BEAEMP C[C@H]1C[C@H]([N@H+](C)CCOC(C)(C)C)CC[NH+]1C ZINC000123661062 177364721 /nfs/dbraw/zinc/36/47/21/177364721.db2.gz ZRDTXMRCKUHXIB-QWHCGFSZSA-N 2 1 242.407 2.216 10 0 BEAEMP C[C@H]1C[C@H]([N@@H+](C)CCOC(C)(C)C)CC[NH+]1C ZINC000123661062 177364724 /nfs/dbraw/zinc/36/47/24/177364724.db2.gz ZRDTXMRCKUHXIB-QWHCGFSZSA-N 2 1 242.407 2.216 10 0 BEAEMP C[C@H](CC1CCC1)[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000666887473 487897936 /nfs/dbraw/zinc/89/79/36/487897936.db2.gz QWKBORHGOVMIBX-WZRBSPASSA-N 2 1 210.365 2.295 10 0 BEAEMP CCC(F)(F)C(C)(C)C[NH2+][C@H]1CC[NH2+]C1 ZINC000530221074 323218324 /nfs/dbraw/zinc/21/83/24/323218324.db2.gz WNWMOUSWAJCBEC-VIFPVBQESA-N 2 1 220.307 2.009 10 0 BEAEMP COC[C@@H](C)C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000133060597 325264087 /nfs/dbraw/zinc/26/40/87/325264087.db2.gz YWCIIBJJNZHWAI-KBPBESRZSA-N 2 1 242.407 2.075 10 0 BEAEMP COC[C@@H](C)C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000133060597 325264092 /nfs/dbraw/zinc/26/40/92/325264092.db2.gz YWCIIBJJNZHWAI-KBPBESRZSA-N 2 1 242.407 2.075 10 0 BEAEMP COC[C@@H](C)C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000133060597 325264093 /nfs/dbraw/zinc/26/40/93/325264093.db2.gz YWCIIBJJNZHWAI-KBPBESRZSA-N 2 1 242.407 2.075 10 0 BEAEMP C[C@H](Cc1ccsc1)[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000396689665 487996365 /nfs/dbraw/zinc/99/63/65/487996365.db2.gz ZYTZRHSZOZFCGJ-NTZNESFSSA-N 2 1 238.400 2.409 10 0 BEAEMP CC[C@H](C)[N@H+]1CCC[C@@]12CC[C@H](C)[NH2+]C2 ZINC000757130759 582504546 /nfs/dbraw/zinc/50/45/46/582504546.db2.gz NYYNHKFEJDZOOO-AVGNSLFASA-N 2 1 210.365 2.391 10 0 BEAEMP C[C@H]([NH2+]Cc1ccc(F)cc1F)[C@H]1CC[NH2+]C1 ZINC000400357279 533920380 /nfs/dbraw/zinc/92/03/80/533920380.db2.gz OUUFWOHNMJFTQP-UWVGGRQHSA-N 2 1 240.297 2.052 10 0 BEAEMP CCCC[N@H+]1CC[C@@H]([NH2+]CCC)[C@@H](C)C1 ZINC000219749778 520597602 /nfs/dbraw/zinc/59/76/02/520597602.db2.gz ULJGBSOQGOMUMG-QWHCGFSZSA-N 2 1 212.381 2.497 10 0 BEAEMP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@H]1CCCC(F)(F)C1 ZINC000261538215 536458500 /nfs/dbraw/zinc/45/85/00/536458500.db2.gz SHSNVGWNJXGSBF-RYUDHWBXSA-N 2 1 246.345 2.496 10 0 BEAEMP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@H]1CCCC(F)(F)C1 ZINC000261538215 536458502 /nfs/dbraw/zinc/45/85/02/536458502.db2.gz SHSNVGWNJXGSBF-RYUDHWBXSA-N 2 1 246.345 2.496 10 0 BEAEMP C[C@@H]1C[C@@H]1[N@H+]1CCC[C@@]12CCC[NH2+][C@H]2C ZINC000757126505 582500723 /nfs/dbraw/zinc/50/07/23/582500723.db2.gz FYQUXPWBMFWGDT-MROQNXINSA-N 2 1 208.349 2.001 10 0 BEAEMP C[C@@H](C1CC1)[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC000757128041 582503597 /nfs/dbraw/zinc/50/35/97/582503597.db2.gz IOIBDOYHUDMPHC-WCQYABFASA-N 2 1 208.349 2.003 10 0 BEAEMP CC[C@H](C)[N@H+]1CCC[C@@]12CCC[NH2+][C@@H]2C ZINC000757133861 582510260 /nfs/dbraw/zinc/51/02/60/582510260.db2.gz VJGNNYWCYIUNKB-YNEHKIRRSA-N 2 1 210.365 2.391 10 0 BEAEMP C[C@@H]1C[C@@H](C)OC2(CC(C)(C)[NH2+]C(C)(C)C2)[NH2+]1 ZINC000757144953 582526721 /nfs/dbraw/zinc/52/67/21/582526721.db2.gz HMTXQMSQAKHVJY-GHMZBOCLSA-N 2 1 240.391 2.410 10 0 BEAEMP CC1(c2ccc([C@H]3CC[NH2+]C[C@H]3[NH3+])cc2)CC1 ZINC000757213020 582561143 /nfs/dbraw/zinc/56/11/43/582561143.db2.gz KRUKZVWMEUXDGR-ZIAGYGMSSA-N 2 1 230.355 2.142 10 0 BEAEMP C[C@@H](C1CCC1)[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC000757126655 586426214 /nfs/dbraw/zinc/42/62/14/586426214.db2.gz GGLPYBCRSVCGPH-GXTWGEPZSA-N 2 1 222.376 2.393 10 0 BEAEMP [NH3+]C[C@@H]1C[C@H](c2cscc2C(F)F)CC[NH2+]1 ZINC000757234310 586443248 /nfs/dbraw/zinc/44/32/48/586443248.db2.gz KMIGZLYMDDDCPL-SFYZADRCSA-N 2 1 246.326 2.480 10 0 BEAEMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCSC2)C1 ZINC000128250861 590951363 /nfs/dbraw/zinc/95/13/63/590951363.db2.gz ZOYKUHONFDUCMS-QWHCGFSZSA-N 2 1 242.432 2.204 10 0 BEAEMP CC(C)CCCC[NH2+]C1CC[NH+](C)CC1 ZINC000131825498 591666959 /nfs/dbraw/zinc/66/69/59/591666959.db2.gz KNDFLAZDTWOYEM-UHFFFAOYSA-N 2 1 212.381 2.497 10 0 BEAEMP CC1CCC(C[N@H+]2CC[C@@H](CC[NH3+])C2)CC1 ZINC000309447620 633921523 /nfs/dbraw/zinc/92/15/23/633921523.db2.gz NJYHOOIQNCDLJG-JXQTWKCFSA-N 2 1 224.392 2.483 10 0 BEAEMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)Cc1ccc(F)cc1 ZINC000111273267 637097770 /nfs/dbraw/zinc/09/77/70/637097770.db2.gz XEIUGVPENOUVEM-YPMHNXCESA-N 2 1 236.334 2.113 10 0 BEAEMP [NH3+]CCCCCC[N@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000043428105 638322767 /nfs/dbraw/zinc/32/27/67/638322767.db2.gz YGCAONZUDUNKKN-KBPBESRZSA-N 2 1 240.391 2.149 10 0 BEAEMP Cc1cccc([C@@H]2C[C@@H]([NH3+])CC[N@@H+]2C)c1 ZINC000074204362 643653991 /nfs/dbraw/zinc/65/39/91/643653991.db2.gz LVJRACXGEULFOF-STQMWFEESA-N 2 1 204.317 2.089 10 0 BEAEMP C[C@@H]1C[N@H+]([C@@H]2C[C@H]2c2ccccc2)CC[C@@H]1[NH3+] ZINC000251925997 644830605 /nfs/dbraw/zinc/83/06/05/644830605.db2.gz YIRKCKKSGODIAD-UQOMUDLDSA-N 2 1 230.355 2.212 10 0 BEAEMP C=C/C=C\CC[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000713735657 712470751 /nfs/dbraw/zinc/47/07/51/712470751.db2.gz PVWRQKWSDKOBDA-ZFDPJTLLSA-N 2 1 208.349 2.193 10 0 BEAEMP CCC[C@H](C)C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000037485304 712650727 /nfs/dbraw/zinc/65/07/27/712650727.db2.gz BXPNRSGGPVBGPE-QWHCGFSZSA-N 2 1 224.392 2.497 10 0 BEAEMP CC(C)[C@@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000709867366 712230198 /nfs/dbraw/zinc/23/01/98/712230198.db2.gz JCTKZZCBSQGKTR-OLZOCXBDSA-N 2 1 210.365 2.106 10 0 BEAEMP Cc1cc[nH+]c(N(C)CCCCCC[NH3+])c1 ZINC000710749603 712255753 /nfs/dbraw/zinc/25/57/53/712255753.db2.gz IVGOXMIRIDKEEG-UHFFFAOYSA-N 2 1 221.348 2.345 10 0 BEAEMP CCC1([NH3+])CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000714758860 712497591 /nfs/dbraw/zinc/49/75/91/712497591.db2.gz OXPUJNONCZTLHV-LBPRGKRZSA-N 2 1 233.359 2.346 10 0 BEAEMP c1ccc2c(c1)CC[N@@H+](CCC[NH2+]C1CC1)C2 ZINC000037613601 712679325 /nfs/dbraw/zinc/67/93/25/712679325.db2.gz NORFVXJYAFPFOG-UHFFFAOYSA-N 2 1 230.355 2.187 10 0 BEAEMP c1ccc2c(c1)CC[N@H+](CCC[NH2+]C1CC1)C2 ZINC000037613601 712679327 /nfs/dbraw/zinc/67/93/27/712679327.db2.gz NORFVXJYAFPFOG-UHFFFAOYSA-N 2 1 230.355 2.187 10 0 BEAEMP CC(C)C1CCC2(CC1)[C@@H]([NH3+])CC[N@H+]2C ZINC000685954805 538899819 /nfs/dbraw/zinc/89/98/19/538899819.db2.gz PLUUBFXHUIVQET-CPCZMJQVSA-N 2 1 210.365 2.234 10 0 BEAEMP CC(C)C1CCC2(CC1)[C@H]([NH3+])CC[N@H+]2C ZINC000685954810 538900177 /nfs/dbraw/zinc/90/01/77/538900177.db2.gz PLUUBFXHUIVQET-OTTFEQOBSA-N 2 1 210.365 2.234 10 0 BEAEMP CC(C)[N@H+]1CC[C@H]([NH3+])[C@]12CCCC[C@H]2C ZINC000685952779 538896796 /nfs/dbraw/zinc/89/67/96/538896796.db2.gz CUAIQZBKRPFHCF-FRRDWIJNSA-N 2 1 210.365 2.377 10 0 BEAEMP C[N@H+](Cc1ccc(F)cc1)C[C@@H]1CCC[NH2+]C1 ZINC000042437128 398172435 /nfs/dbraw/zinc/17/24/35/398172435.db2.gz NYUXHEWHGVFCSV-CYBMUJFWSA-N 2 1 236.334 2.257 10 0 BEAEMP Cc1cc(N)ccc1[N@H+](C)CC1CC[NH+](C)CC1 ZINC000063120421 178106008 /nfs/dbraw/zinc/10/60/08/178106008.db2.gz GBHNKLCZRBTQDH-UHFFFAOYSA-N 2 1 247.386 2.355 10 0 BEAEMP Cc1cc(N)ccc1[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000063120421 178106010 /nfs/dbraw/zinc/10/60/10/178106010.db2.gz GBHNKLCZRBTQDH-UHFFFAOYSA-N 2 1 247.386 2.355 10 0 BEAEMP CCC(CC)C[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000370965100 168364860 /nfs/dbraw/zinc/36/48/60/168364860.db2.gz KFVRVFUCQKZITJ-LBPRGKRZSA-N 2 1 221.348 2.224 10 0 BEAEMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1C[C@@H]1CCCCC1(F)F ZINC000381590220 398254293 /nfs/dbraw/zinc/25/42/93/398254293.db2.gz DIRSECRDHRRGFI-UTUOFQBUSA-N 2 1 246.345 2.481 10 0 BEAEMP CCC(CC)[N@@H+](CCCCC(N)=[NH2+])CCOC ZINC000042679993 168373250 /nfs/dbraw/zinc/37/32/50/168373250.db2.gz UTNRAEWDMKCGJJ-UHFFFAOYSA-N 2 1 243.395 2.230 10 0 BEAEMP C[C@@H]1C[N@@H+](C[C@H]2CCCCC2(F)F)CC[C@@H]1[NH3+] ZINC000381623640 398267348 /nfs/dbraw/zinc/26/73/48/398267348.db2.gz SUDJKLNVDHTOSJ-UTUOFQBUSA-N 2 1 246.345 2.481 10 0 BEAEMP CCC[C@H](C)C[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000132506994 398305629 /nfs/dbraw/zinc/30/56/29/398305629.db2.gz XXZBUSFFINEQTL-RWMBFGLXSA-N 2 1 210.365 2.106 10 0 BEAEMP CC(C)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000038000167 398335723 /nfs/dbraw/zinc/33/57/23/398335723.db2.gz XHWZSUKNMZALAZ-OLZOCXBDSA-N 2 1 210.365 2.106 10 0 BEAEMP CCC[C@H](C)[NH2+]C[C@@H](C)[NH+](CC)CC ZINC000053485996 346902136 /nfs/dbraw/zinc/90/21/36/346902136.db2.gz VKPIRMDZMKWPTK-NWDGAFQWSA-N 2 1 200.370 2.495 10 0 BEAEMP CCNc1ccc[nH+]c1N(CC)C1CC[NH2+]CC1 ZINC000138659153 342985107 /nfs/dbraw/zinc/98/51/07/342985107.db2.gz QRUNCJSYXSLNMT-UHFFFAOYSA-N 2 1 248.374 2.092 10 0 BEAEMP CC[C@@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)C(C)C ZINC000371480739 343286361 /nfs/dbraw/zinc/28/63/61/343286361.db2.gz QLLSDOMAFRVHLF-VXGBXAGGSA-N 2 1 221.348 2.222 10 0 BEAEMP C[NH2+][C@@H]1CC[N@@H+](CCc2ccccc2)[C@H](C)C1 ZINC000049708928 187269863 /nfs/dbraw/zinc/26/98/63/187269863.db2.gz FHUNNPVHACDHSH-UKRRQHHQSA-N 2 1 232.371 2.301 10 0 BEAEMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCC[NH2+]C1CC1 ZINC000037478527 537819918 /nfs/dbraw/zinc/81/99/18/537819918.db2.gz XBYIFMKFUHTDTK-TXEJJXNPSA-N 2 1 210.365 2.391 10 0 BEAEMP CC(C)(C)[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH3+] ZINC000409433777 343830551 /nfs/dbraw/zinc/83/05/51/343830551.db2.gz STCOZWUYKYDOOB-UONOGXRCSA-N 2 1 232.371 2.492 10 0 BEAEMP CC(C)(C)[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH3+] ZINC000409433777 343830552 /nfs/dbraw/zinc/83/05/52/343830552.db2.gz STCOZWUYKYDOOB-UONOGXRCSA-N 2 1 232.371 2.492 10 0 BEAEMP CC(C)c1c[nH+]cn1-c1cccc(C[NH3+])c1 ZINC000082656155 187282568 /nfs/dbraw/zinc/28/25/68/187282568.db2.gz VECZUZQSAGPARN-UHFFFAOYSA-N 2 1 215.300 2.454 10 0 BEAEMP CCc1[nH+]ccn1-c1ccc(CC[NH3+])cc1C ZINC000104293843 187292393 /nfs/dbraw/zinc/29/23/93/187292393.db2.gz KPWAWFSCTBSCRJ-UHFFFAOYSA-N 2 1 229.327 2.244 10 0 BEAEMP CC[C@H]1CN(c2cc[nH+]cc2Cl)CC[C@H]1[NH3+] ZINC000251937711 487535561 /nfs/dbraw/zinc/53/55/61/487535561.db2.gz ZXAYPIRHSRDFIW-GXSJLCMTSA-N 2 1 239.750 2.299 10 0 BEAEMP C1C[C@@H]2C[C@H]([NH2+][C@@H]3CCCSC3)CC[N@H+]2C1 ZINC000128095368 192076161 /nfs/dbraw/zinc/07/61/61/192076161.db2.gz AXCTWBUTLBZZFT-JHJVBQTASA-N 2 1 240.416 2.098 10 0 BEAEMP C[C@@H](c1ccc[nH]1)[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000248086865 345035591 /nfs/dbraw/zinc/03/55/91/345035591.db2.gz STGUCIUDWFWLNH-RYUDHWBXSA-N 2 1 221.348 2.007 10 0 BEAEMP C[C@@H](c1ccc[nH]1)[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000248086865 345035594 /nfs/dbraw/zinc/03/55/94/345035594.db2.gz STGUCIUDWFWLNH-RYUDHWBXSA-N 2 1 221.348 2.007 10 0 BEAEMP CC1(C)C[NH+](CCC[NH2+]C2CC2)CC(C)(C)O1 ZINC000226420270 537890473 /nfs/dbraw/zinc/89/04/73/537890473.db2.gz TWZWBLHKIRUPQI-UHFFFAOYSA-N 2 1 240.391 2.018 10 0 BEAEMP Cc1ccc(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)s1 ZINC000634998708 345198220 /nfs/dbraw/zinc/19/82/20/345198220.db2.gz JNKPVLKOTDWMFG-KOLCDFICSA-N 2 1 224.373 2.083 10 0 BEAEMP CCOc1ccccc1C[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000635000502 345202082 /nfs/dbraw/zinc/20/20/82/345202082.db2.gz PSMVAUYCAWYXCW-JSGCOSHPSA-N 2 1 248.370 2.112 10 0 BEAEMP C[N@H+](Cc1ccccc1)C[C@@H]1CC[C@@H]([NH3+])C1 ZINC000227803577 346391715 /nfs/dbraw/zinc/39/17/15/346391715.db2.gz HVZGKJDOAKYJOV-ZIAGYGMSSA-N 2 1 218.344 2.246 10 0 BEAEMP CCC[C@@H]1C[C@H]1[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000378663280 346798466 /nfs/dbraw/zinc/79/84/66/346798466.db2.gz BAOUMAKRZSBJQF-QNWHQSFQSA-N 2 1 210.365 2.247 10 0 BEAEMP CCC[C@@H]1C[C@H]1[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000378663280 346798467 /nfs/dbraw/zinc/79/84/67/346798467.db2.gz BAOUMAKRZSBJQF-QNWHQSFQSA-N 2 1 210.365 2.247 10 0 BEAEMP C[C@@H]1C[N@H+]([C@H]2CCC(C)(C)C2)C[C@@]1(C)C[NH3+] ZINC000393823504 259393920 /nfs/dbraw/zinc/39/39/20/259393920.db2.gz KYSCAUHUBSMUGX-MBNYWOFBSA-N 2 1 224.392 2.482 10 0 BEAEMP Cc1cccc(OCC[C@](C)(C[NH3+])[NH+](C)C)c1 ZINC000019667654 179169361 /nfs/dbraw/zinc/16/93/61/179169361.db2.gz LDQHQVICIPLZSP-CQSZACIVSA-N 2 1 236.359 2.043 10 0 BEAEMP Cc1cccc([C@@H]([C@@H](C)[NH3+])[NH+]2CCCC2)c1 ZINC000042965333 179188587 /nfs/dbraw/zinc/18/85/87/179188587.db2.gz UUKCLRCTMQHDLJ-TZMCWYRMSA-N 2 1 218.344 2.479 10 0 BEAEMP CC[N@H+]1CC[C@H](C[NH3+])[C@H]1c1cccs1 ZINC000250346043 362799600 /nfs/dbraw/zinc/79/96/00/362799600.db2.gz QLFKYTPQXNLPEE-KOLCDFICSA-N 2 1 210.346 2.090 10 0 BEAEMP CC[N@@H+](C)Cc1cc(Cl)cc(C[NH3+])c1 ZINC000669380339 537988356 /nfs/dbraw/zinc/98/83/56/537988356.db2.gz XLTAVPOGHKIQBF-UHFFFAOYSA-N 2 1 212.724 2.250 10 0 BEAEMP Cc1ccccc1C[N@@H+]1CC[NH2+][C@H](C)CC1 ZINC000049662207 179272993 /nfs/dbraw/zinc/27/29/93/179272993.db2.gz GYUAJUNIKWOQQX-CYBMUJFWSA-N 2 1 218.344 2.179 10 0 BEAEMP Cc1ccccc1C[N@H+]1CC[NH2+][C@H](C)CC1 ZINC000049662207 179272995 /nfs/dbraw/zinc/27/29/95/179272995.db2.gz GYUAJUNIKWOQQX-CYBMUJFWSA-N 2 1 218.344 2.179 10 0 BEAEMP Cc1[nH+]ccn1[C@@H](c1ccccc1C)[C@H](C)[NH3+] ZINC000043037735 179328656 /nfs/dbraw/zinc/32/86/56/179328656.db2.gz FAKCYUYFGZZVQF-SMDDNHRTSA-N 2 1 229.327 2.437 10 0 BEAEMP CC1CC[NH+](C[C@@H]2C[C@@H](C)C[C@H](C)[NH2+]2)CC1 ZINC000669381534 537997499 /nfs/dbraw/zinc/99/74/99/537997499.db2.gz NKOBGUZTAKNETR-IHRRRGAJSA-N 2 1 224.392 2.495 10 0 BEAEMP Cc1ccc[nH+]c1N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000051041291 179395851 /nfs/dbraw/zinc/39/58/51/179395851.db2.gz SANSQQDBIASHKE-RYUDHWBXSA-N 2 1 219.332 2.190 10 0 BEAEMP Cc1[nH+]ccn1[C@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000023067760 180271188 /nfs/dbraw/zinc/27/11/88/180271188.db2.gz JKRGFVMYJNGOCQ-ZWNOBZJWSA-N 2 1 215.300 2.453 10 0 BEAEMP Cc1[nH+]ccn1[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000023069054 180271553 /nfs/dbraw/zinc/27/15/53/180271553.db2.gz KORPKIZVVPVRJG-RYUDHWBXSA-N 2 1 207.321 2.414 10 0 BEAEMP Cc1[nH+]ccn1[C@H]1CCCCC[C@H]1C[NH3+] ZINC000037159994 180271714 /nfs/dbraw/zinc/27/17/14/180271714.db2.gz RTCJNKCWBUVEJM-RYUDHWBXSA-N 2 1 207.321 2.272 10 0 BEAEMP Cc1[nH+]ccn1[C@@H](C[NH3+])c1ccccc1Cl ZINC000043053072 180271770 /nfs/dbraw/zinc/27/17/70/180271770.db2.gz BRJVCEVEULDMBA-LBPRGKRZSA-N 2 1 235.718 2.393 10 0 BEAEMP Cc1[nH+]cn([C@@H]2CCCCC[C@@H]2[NH3+])c1C ZINC000051926503 180289157 /nfs/dbraw/zinc/28/91/57/180289157.db2.gz VXNNSWQIHMITJY-NWDGAFQWSA-N 2 1 207.321 2.332 10 0 BEAEMP Cc1[nH+]cn([C@@H](c2ccco2)[C@@H](C)[NH3+])c1C ZINC000051925855 180289233 /nfs/dbraw/zinc/28/92/33/180289233.db2.gz WDUPEBQEOUGWGX-PRHODGIISA-N 2 1 219.288 2.030 10 0 BEAEMP Cc1[nH+]cn([C@@H]2CCCC[C@H]2C[NH3+])c1C ZINC000051926065 180289798 /nfs/dbraw/zinc/28/97/98/180289798.db2.gz HSRPIGQHXDWNRT-NWDGAFQWSA-N 2 1 207.321 2.190 10 0 BEAEMP Cc1[nH+]cn([C@@H]2COc3ccccc3[C@@H]2[NH3+])c1C ZINC000051926483 180289890 /nfs/dbraw/zinc/28/98/90/180289890.db2.gz OWPDHQGHSRHIOS-OCCSQVGLSA-N 2 1 243.310 2.133 10 0 BEAEMP CC[C@@H]1[C@H]2C[NH2+]C[C@H]2C[N@H+]1Cc1ccccc1 ZINC000251784282 350903124 /nfs/dbraw/zinc/90/31/24/350903124.db2.gz WZRSRFWWZLMNQM-SOUVJXGZSA-N 2 1 230.355 2.116 10 0 BEAEMP CC(C)C[C@@H](C)[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000309524338 191127380 /nfs/dbraw/zinc/12/73/80/191127380.db2.gz AWLLNUWPEWNQJE-NEPJUHHUSA-N 2 1 221.348 2.222 10 0 BEAEMP CC[N@H+](Cc1ccccc1)C[C@@H](C)C[NH2+]C ZINC000052443723 351001106 /nfs/dbraw/zinc/00/11/06/351001106.db2.gz LKFAZFPQXLOODJ-ZDUSSCGKSA-N 2 1 220.360 2.364 10 0 BEAEMP Nc1cccc([C@H]2CCCCC[N@@H+]2CC[NH3+])c1 ZINC000616623778 351090079 /nfs/dbraw/zinc/09/00/79/351090079.db2.gz GZAUGEGTRMOJTE-CQSZACIVSA-N 2 1 233.359 2.145 10 0 BEAEMP Nc1cccc([C@H]2CCCCC[N@H+]2CC[NH3+])c1 ZINC000616623778 351090082 /nfs/dbraw/zinc/09/00/82/351090082.db2.gz GZAUGEGTRMOJTE-CQSZACIVSA-N 2 1 233.359 2.145 10 0 BEAEMP CNc1ccccc1[C@@H]1CCC[N@H+](CC[NH3+])CC1 ZINC000616628171 351097576 /nfs/dbraw/zinc/09/75/76/351097576.db2.gz NLJLDFVBBVPHHP-CYBMUJFWSA-N 2 1 247.386 2.257 10 0 BEAEMP CNc1ccccc1[C@@H]1CCC[N@@H+](CC[NH3+])CC1 ZINC000616628171 351097579 /nfs/dbraw/zinc/09/75/79/351097579.db2.gz NLJLDFVBBVPHHP-CYBMUJFWSA-N 2 1 247.386 2.257 10 0 BEAEMP C[C@]1([NH3+])C[NH2+]C[C@H]1c1cccc(CC2CCC2)c1 ZINC000725268223 538100185 /nfs/dbraw/zinc/10/01/85/538100185.db2.gz PXVMCDZZNAUMHM-HOTGVXAUSA-N 2 1 244.382 2.433 10 0 BEAEMP CC(C)C[N@@H+](C)C1CCC2(C[C@@H]2[NH3+])CC1 ZINC000725270771 538102449 /nfs/dbraw/zinc/10/24/49/538102449.db2.gz SHYHTMUFBYEJRJ-CPCZMJQVSA-N 2 1 210.365 2.234 10 0 BEAEMP COCC[N@@H+](CC[C@H]1CCCC[NH2+]1)CC(C)C ZINC000042369465 188293981 /nfs/dbraw/zinc/29/39/81/188293981.db2.gz AKADMORIGVZIPR-CQSZACIVSA-N 2 1 242.407 2.123 10 0 BEAEMP C[NH2+][C@@H]1CC[N@@H+](CCc2ccccc2)[C@@H](C)C1 ZINC000049708930 188298327 /nfs/dbraw/zinc/29/83/27/188298327.db2.gz FHUNNPVHACDHSH-DZGCQCFKSA-N 2 1 232.371 2.301 10 0 BEAEMP CC(C)[C@H](C[NH2+][C@H](C)Cc1ccco1)[NH+](C)C ZINC000062769744 188303141 /nfs/dbraw/zinc/30/31/41/188303141.db2.gz YBWKLUMNEQEUHF-OCCSQVGLSA-N 2 1 238.375 2.386 10 0 BEAEMP C[N@@H+](Cc1ccccc1)[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405532262 353796474 /nfs/dbraw/zinc/79/64/74/353796474.db2.gz YMGDCRMGDSALPQ-KBPBESRZSA-N 2 1 230.355 2.388 10 0 BEAEMP Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)nc1C ZINC000578004873 366172884 /nfs/dbraw/zinc/17/28/84/366172884.db2.gz CRBPHMYLOQRABW-UONOGXRCSA-N 2 1 247.386 2.176 10 0 BEAEMP C[C@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)[C@@H]1CCCO1 ZINC000216363758 355977067 /nfs/dbraw/zinc/97/70/67/355977067.db2.gz YDIKTWLMHKGHRG-MJBXVCDLSA-N 2 1 240.391 2.018 10 0 BEAEMP C[Si](C)(CCC[NH3+])[N@H+]1CCC[Si]1(C)C ZINC000196013614 356455821 /nfs/dbraw/zinc/45/58/21/356455821.db2.gz IELVEAVYQVBGNX-UHFFFAOYSA-N 2 1 230.504 2.451 10 0 BEAEMP CC[N@H+]1CC[C@@H]([NH3+])C[C@H]1c1cccc(C)c1 ZINC000675055566 538475653 /nfs/dbraw/zinc/47/56/53/538475653.db2.gz VEKJNMBFSFMXOD-KGLIPLIRSA-N 2 1 218.344 2.479 10 0 BEAEMP [NH3+]C[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000675061129 538487290 /nfs/dbraw/zinc/48/72/90/538487290.db2.gz YHPAGVSVNBAPRL-KKUMJFAQSA-N 2 1 230.355 2.103 10 0 BEAEMP CCC[N@@H+](CC)C1CC2(C1)CC[NH2+]CC2 ZINC000675070122 538500272 /nfs/dbraw/zinc/50/02/72/538500272.db2.gz PUHUVSPZRGAJGM-UHFFFAOYSA-N 2 1 210.365 2.251 10 0 BEAEMP C[C@@H]1C[C@H](C)C[N@@H+]([C@H]2CCC[C@H](C[NH3+])C2)C1 ZINC000257778254 538754815 /nfs/dbraw/zinc/75/48/15/538754815.db2.gz NKSXNHXXILHMCP-CRWXNKLISA-N 2 1 224.392 2.482 10 0 BEAEMP C[C@H]([NH3+])C[C@H](C)Nc1[nH+]c2ccccc2n1C ZINC000320978634 357275487 /nfs/dbraw/zinc/27/54/87/357275487.db2.gz XJSVNWWTSHDEPH-UWVGGRQHSA-N 2 1 232.331 2.111 10 0 BEAEMP CC[C@@H]1CCCC[N@H+]1C1[C@@H](C)C[NH2+]C[C@@H]1C ZINC000685951684 538895474 /nfs/dbraw/zinc/89/54/74/538895474.db2.gz VNKPZUHMUAAWMQ-RWMBFGLXSA-N 2 1 224.392 2.495 10 0 BEAEMP CC[N@H+]1CCC[C@H]1CN(C)c1cc[nH+]cc1C ZINC000192643199 357841764 /nfs/dbraw/zinc/84/17/64/357841764.db2.gz WCHPCGBSFHWQQN-ZDUSSCGKSA-N 2 1 233.359 2.311 10 0 BEAEMP [NH2+]=C1CC[N@H+]2CCc3ccccc3[C@@H]2C1 ZINC000584625999 358295199 /nfs/dbraw/zinc/29/51/99/358295199.db2.gz BQSWFMZMKVJPIH-ZDUSSCGKSA-N 2 1 200.285 2.399 10 0 BEAEMP CC(C)(C)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000093604585 360262677 /nfs/dbraw/zinc/26/26/77/360262677.db2.gz DONPZKFWCABRAB-ZDUSSCGKSA-N 2 1 224.392 2.450 10 0 BEAEMP C[N@H+]1CCC[C@@H](C[NH3+])[C@@H]1c1ccsc1 ZINC000069796338 360557112 /nfs/dbraw/zinc/55/71/12/360557112.db2.gz DGYQZTOEKOLBBM-GXSJLCMTSA-N 2 1 210.346 2.090 10 0 BEAEMP Cc1cc(C)cc([C@@H]2C[C@H]([NH3+])CC[N@@H+]2C)c1 ZINC000074081413 541312643 /nfs/dbraw/zinc/31/26/43/541312643.db2.gz IOSQOEUPJUENIE-KGLIPLIRSA-N 2 1 218.344 2.397 10 0 BEAEMP Cc1ccc([C@H]2C[C@H]([NH3+])CC[N@@H+]2C)cc1C ZINC000074081388 541313100 /nfs/dbraw/zinc/31/31/00/541313100.db2.gz YYSUSENLHFYVJK-ZIAGYGMSSA-N 2 1 218.344 2.397 10 0 BEAEMP CO[C@@H]1C[N@H+](CCCC2CCC2)[C@@](C)(C[NH3+])C1 ZINC000630366433 364086165 /nfs/dbraw/zinc/08/61/65/364086165.db2.gz KLHDANVAOUYKBX-UONOGXRCSA-N 2 1 240.391 2.005 10 0 BEAEMP CO[C@@H]1C[N@@H+](CCCC2CCC2)[C@@](C)(C[NH3+])C1 ZINC000630366433 364086166 /nfs/dbraw/zinc/08/61/66/364086166.db2.gz KLHDANVAOUYKBX-UONOGXRCSA-N 2 1 240.391 2.005 10 0 BEAEMP CO[C@H]1C[N@H+](CCCC2CCC2)[C@](C)(C[NH3+])C1 ZINC000630366432 364086551 /nfs/dbraw/zinc/08/65/51/364086551.db2.gz KLHDANVAOUYKBX-KGLIPLIRSA-N 2 1 240.391 2.005 10 0 BEAEMP CO[C@H]1C[N@@H+](CCCC2CCC2)[C@](C)(C[NH3+])C1 ZINC000630366432 364086553 /nfs/dbraw/zinc/08/65/53/364086553.db2.gz KLHDANVAOUYKBX-KGLIPLIRSA-N 2 1 240.391 2.005 10 0 BEAEMP [NH3+]CC([NH3+])(Cc1ccccc1)Cc1ccccc1 ZINC000035676969 181357167 /nfs/dbraw/zinc/35/71/67/181357167.db2.gz GRWKNBPOGBTZMN-UHFFFAOYSA-N 2 1 240.350 2.128 10 0 BEAEMP [NH3+]C1CCC(c2[nH+]ccn2C2CC2)CC1 ZINC000675061250 541386660 /nfs/dbraw/zinc/38/66/60/541386660.db2.gz YNOLNDCPVJJBSU-UHFFFAOYSA-N 2 1 205.305 2.203 10 0 BEAEMP [NH3+]CCCCC[N@H+]1CCC[C@H]1c1ccncc1 ZINC000049580716 181374925 /nfs/dbraw/zinc/37/49/25/181374925.db2.gz WWJAKBXNIFEWTN-AWEZNQCLSA-N 2 1 233.359 2.348 10 0 BEAEMP [NH3+]CCCC[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000036809587 181376552 /nfs/dbraw/zinc/37/65/52/181376552.db2.gz ABKZHWMVHLQCIZ-QWHCGFSZSA-N 2 1 210.365 2.237 10 0 BEAEMP CCc1ccccc1C[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631839062 369124671 /nfs/dbraw/zinc/12/46/71/369124671.db2.gz ZJCXDUNNDPNVOU-WFASDCNBSA-N 2 1 232.371 2.276 10 0 BEAEMP C[C@@H]1C[N@H+](Cc2ccsc2Cl)C[C@@H]1C[NH3+] ZINC000631837157 372628004 /nfs/dbraw/zinc/62/80/04/372628004.db2.gz NOTOHMCBKYUKHK-SCZZXKLOSA-N 2 1 244.791 2.428 10 0 BEAEMP C[C@@H]1C[N@@H+](Cc2ccsc2Cl)C[C@@H]1C[NH3+] ZINC000631837157 372628007 /nfs/dbraw/zinc/62/80/07/372628007.db2.gz NOTOHMCBKYUKHK-SCZZXKLOSA-N 2 1 244.791 2.428 10 0 BEAEMP C[C@@H]1C[N@@H+](CCCC(C)(C)C)C[C@@H]1C[NH3+] ZINC000631837828 372630174 /nfs/dbraw/zinc/63/01/74/372630174.db2.gz FYGCXUVPJRURON-NEPJUHHUSA-N 2 1 212.381 2.339 10 0 BEAEMP COc1cccc([C@H](C)[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000631840135 372635891 /nfs/dbraw/zinc/63/58/91/372635891.db2.gz PWIAYWFXDQKFHQ-OBJOEFQTSA-N 2 1 248.370 2.283 10 0 BEAEMP C[C@@H](c1ccccc1)[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631843058 372640654 /nfs/dbraw/zinc/64/06/54/372640654.db2.gz IYTBBTLFGLFRGA-DYEKYZERSA-N 2 1 218.344 2.274 10 0 BEAEMP Cc1ccccc1C[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631842690 372641404 /nfs/dbraw/zinc/64/14/04/372641404.db2.gz DNOHWCIEPPAUDF-OCCSQVGLSA-N 2 1 218.344 2.022 10 0 BEAEMP COc1ccc(C)cc1C[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631844385 372643559 /nfs/dbraw/zinc/64/35/59/372643559.db2.gz WZUUEYUNOOBRKB-OCCSQVGLSA-N 2 1 248.370 2.030 10 0 BEAEMP CC[N@H+]1CC[C@@H](C[NH3+])[C@@H]1c1ccsc1 ZINC000069797152 373807753 /nfs/dbraw/zinc/80/77/53/373807753.db2.gz NELRLMCURWMTCL-GXSJLCMTSA-N 2 1 210.346 2.090 10 0 BEAEMP CCC[N@@H+](CC)[C@@H](CN)c1ccc(OC)cc1 ZINC000037094705 169131694 /nfs/dbraw/zinc/13/16/94/169131694.db2.gz YKXGOJIXZBXEOI-AWEZNQCLSA-N 2 1 236.359 2.427 10 0 BEAEMP CCC[N@H+](CC[NH3+])Cc1ccc(C)cc1C ZINC000076610457 169157649 /nfs/dbraw/zinc/15/76/49/169157649.db2.gz ZMHPSKFIDFQQKD-UHFFFAOYSA-N 2 1 220.360 2.474 10 0 BEAEMP CCC[N@@H+](CC[NH3+])Cc1ccc(C)cc1C ZINC000076610457 169157650 /nfs/dbraw/zinc/15/76/50/169157650.db2.gz ZMHPSKFIDFQQKD-UHFFFAOYSA-N 2 1 220.360 2.474 10 0 BEAEMP c1cc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)ccn1 ZINC000031994645 183341429 /nfs/dbraw/zinc/34/14/29/183341429.db2.gz XUWBWOUKLOMAIP-OAHLLOKOSA-N 2 1 245.370 2.047 10 0 BEAEMP c1cc(C[N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)ccn1 ZINC000031994645 183341431 /nfs/dbraw/zinc/34/14/31/183341431.db2.gz XUWBWOUKLOMAIP-OAHLLOKOSA-N 2 1 245.370 2.047 10 0 BEAEMP CCC[N@H+]1CC[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000073655916 169207333 /nfs/dbraw/zinc/20/73/33/169207333.db2.gz GZNAUWNOUKBLSM-QWHCGFSZSA-N 2 1 210.365 2.345 10 0 BEAEMP CCC[N@H+]1CC[C@@H]([NH+]2CCCC2)[C@H](C)C1 ZINC000073654020 169207560 /nfs/dbraw/zinc/20/75/60/169207560.db2.gz LSFDYFLOEXRDQN-CHWSQXEVSA-N 2 1 210.365 2.203 10 0 BEAEMP CCC[N@H+]1[C@@H]2CCC[C@H]1CC([NH2+]CC)C2 ZINC000054601437 169211483 /nfs/dbraw/zinc/21/14/83/169211483.db2.gz GFAFLIJMCUQQQT-YHWZYXNKSA-N 2 1 210.365 2.391 10 0 BEAEMP CCC[N@@H+]1[C@@H]2CCC[C@H]1CC([NH2+]CC)C2 ZINC000054601437 169211484 /nfs/dbraw/zinc/21/14/84/169211484.db2.gz GFAFLIJMCUQQQT-YHWZYXNKSA-N 2 1 210.365 2.391 10 0 BEAEMP c1cc2c(cc[nH+]c2C2CC[NH2+]CC2)[nH]1 ZINC000082382089 183364203 /nfs/dbraw/zinc/36/42/03/183364203.db2.gz AIGGEYKUXJSCGG-UHFFFAOYSA-N 2 1 201.273 2.030 10 0 BEAEMP CCC[NH2+]CC[C@@H](C)[N@H+](C)Cc1cccnc1 ZINC000052479562 169260341 /nfs/dbraw/zinc/26/03/41/169260341.db2.gz JLKOUPKLMFRYMU-CYBMUJFWSA-N 2 1 235.375 2.292 10 0 BEAEMP CCC[NH2+]CC[C@@H](C)[N@@H+](C)Cc1cccnc1 ZINC000052479562 169260343 /nfs/dbraw/zinc/26/03/43/169260343.db2.gz JLKOUPKLMFRYMU-CYBMUJFWSA-N 2 1 235.375 2.292 10 0 BEAEMP CCC[NH2+]CC[C@H](C)[N@H+](C)Cc1cccnc1 ZINC000052479563 169260980 /nfs/dbraw/zinc/26/09/80/169260980.db2.gz JLKOUPKLMFRYMU-ZDUSSCGKSA-N 2 1 235.375 2.292 10 0 BEAEMP CCC[NH2+]CC[C@H](C)[N@@H+](C)Cc1cccnc1 ZINC000052479563 169260982 /nfs/dbraw/zinc/26/09/82/169260982.db2.gz JLKOUPKLMFRYMU-ZDUSSCGKSA-N 2 1 235.375 2.292 10 0 BEAEMP CCC[NH2+]C[C@@H]1CC[C@H](C[N@@H+](C)CC(C)C)O1 ZINC000052452814 169262486 /nfs/dbraw/zinc/26/24/86/169262486.db2.gz LNPBERLHCJEFHU-UONOGXRCSA-N 2 1 242.407 2.121 10 0 BEAEMP CCC[NH2+][C@H](C)C[NH+]1CCC(C)(C)CC1 ZINC000061819877 169286003 /nfs/dbraw/zinc/28/60/03/169286003.db2.gz APBOCWMLUICQTQ-GFCCVEGCSA-N 2 1 212.381 2.497 10 0 BEAEMP CCC[NH2+]C[C@H](C(C)C)[NH+]1CCC(OC)CC1 ZINC000052455048 169263699 /nfs/dbraw/zinc/26/36/99/169263699.db2.gz RURCCXCUTAWZOY-CQSZACIVSA-N 2 1 242.407 2.121 10 0 BEAEMP CCC[NH2+]C[C@](C)(CC)C[N@@H+](CCO)C(C)C ZINC000051284715 169264410 /nfs/dbraw/zinc/26/44/10/169264410.db2.gz BUSNOVMDCMSXEV-AWEZNQCLSA-N 2 1 244.423 2.105 10 0 BEAEMP CCC[NH2+]C[C@H]1CCCC[N@@H+]1CC(C)C ZINC000053651183 169264643 /nfs/dbraw/zinc/26/46/43/169264643.db2.gz HPSYNWKNUIZUGZ-CYBMUJFWSA-N 2 1 212.381 2.497 10 0 BEAEMP CCC[NH2+]C[C@H]1CCCC[N@H+]1CC(C)C ZINC000053651183 169264644 /nfs/dbraw/zinc/26/46/44/169264644.db2.gz HPSYNWKNUIZUGZ-CYBMUJFWSA-N 2 1 212.381 2.497 10 0 BEAEMP c1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)nc1 ZINC000037916504 183398983 /nfs/dbraw/zinc/39/89/83/183398983.db2.gz BSRRVURNVFKAFJ-HIFRSBDPSA-N 2 1 245.370 2.046 10 0 BEAEMP c1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)nc1 ZINC000037916504 183398986 /nfs/dbraw/zinc/39/89/86/183398986.db2.gz BSRRVURNVFKAFJ-HIFRSBDPSA-N 2 1 245.370 2.046 10 0 BEAEMP CCC[NH2+][C@@H](C)CCC[N@H+]1CCCO[C@H](C)C1 ZINC000061916989 169274684 /nfs/dbraw/zinc/27/46/84/169274684.db2.gz BOJCPVRUSNBINX-UONOGXRCSA-N 2 1 242.407 2.266 10 0 BEAEMP CCC[NH2+][C@@H](C)C[NH+]1CCC(C)(C)CC1 ZINC000061819876 169275085 /nfs/dbraw/zinc/27/50/85/169275085.db2.gz APBOCWMLUICQTQ-LBPRGKRZSA-N 2 1 212.381 2.497 10 0 BEAEMP CCCO[C@@H]1CCC[N@@H+](CCCCCC[NH3+])C1 ZINC000042425474 169310680 /nfs/dbraw/zinc/31/06/80/169310680.db2.gz BKACYBAQSDQLJC-CQSZACIVSA-N 2 1 242.407 2.397 10 0 BEAEMP CCCO[C@H]1CCC[N@@H+](C[C@@H](C)C[NH2+]CC)C1 ZINC000052371516 169312611 /nfs/dbraw/zinc/31/26/11/169312611.db2.gz IZYVLVVQXIHSTC-KBPBESRZSA-N 2 1 242.407 2.123 10 0 BEAEMP CCC[NH2+][C@H]1CC[N@H+](C(C)(C)C)C[C@@H]1C ZINC000049694127 169291589 /nfs/dbraw/zinc/29/15/89/169291589.db2.gz KRHZOUMILCWZEV-RYUDHWBXSA-N 2 1 212.381 2.495 10 0 BEAEMP C[C@@H]1CC[C@@H]([NH3+])[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000068593075 384003101 /nfs/dbraw/zinc/00/31/01/384003101.db2.gz ULXWOSFIBHNQLH-MBNYWOFBSA-N 2 1 218.344 2.387 10 0 BEAEMP C[C@@H]1CC[C@@H]([NH3+])[C@H](C)[N@H+]1Cc1ccccc1 ZINC000068593075 384003108 /nfs/dbraw/zinc/00/31/08/384003108.db2.gz ULXWOSFIBHNQLH-MBNYWOFBSA-N 2 1 218.344 2.387 10 0 BEAEMP C[N@@H+](C[C@@H]1CCC(F)(F)C1)[C@H]1CCC[NH2+]CC1 ZINC000302315795 384140908 /nfs/dbraw/zinc/14/09/08/384140908.db2.gz BSXGTXXWHUMIPC-NEPJUHHUSA-N 2 1 246.345 2.496 10 0 BEAEMP CCC[C@@H]1C[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000300358046 384357490 /nfs/dbraw/zinc/35/74/90/384357490.db2.gz BAOUMAKRZSBJQF-RNJOBUHISA-N 2 1 210.365 2.247 10 0 BEAEMP CCC[C@@H]1C[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000300358046 384357494 /nfs/dbraw/zinc/35/74/94/384357494.db2.gz BAOUMAKRZSBJQF-RNJOBUHISA-N 2 1 210.365 2.247 10 0 BEAEMP CCC[C@H]1C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000300369472 384704070 /nfs/dbraw/zinc/70/40/70/384704070.db2.gz RHCLBWFLCMCPKE-APYLGABCSA-N 2 1 222.376 2.390 10 0 BEAEMP CCC[C@@H]1C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000300369474 384705099 /nfs/dbraw/zinc/70/50/99/384705099.db2.gz RHCLBWFLCMCPKE-RKFYDKJMSA-N 2 1 222.376 2.390 10 0 BEAEMP CCC[C@H](CC)[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000310006145 384781171 /nfs/dbraw/zinc/78/11/71/384781171.db2.gz GRPWMMNFAWEFHW-RYUDHWBXSA-N 2 1 221.348 2.366 10 0 BEAEMP C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC(C)(C)C1 ZINC000335664889 384835868 /nfs/dbraw/zinc/83/58/68/384835868.db2.gz XMDDTJCIVAROGX-LLVKDONJSA-N 2 1 210.365 2.106 10 0 BEAEMP CC[NH+](CC)[C@@H](C)C[NH2+][C@@H](C)C(C)C ZINC000127522592 384865970 /nfs/dbraw/zinc/86/59/70/384865970.db2.gz ZSNXBKBUDMUAAQ-RYUDHWBXSA-N 2 1 200.370 2.351 10 0 BEAEMP CC(C)=CC[NH2+]C[C@H]1CCn2cc[nH+]c2C1 ZINC000365551591 384908731 /nfs/dbraw/zinc/90/87/31/384908731.db2.gz HYTYPGGEHMCJOV-LBPRGKRZSA-N 2 1 219.332 2.001 10 0 BEAEMP CC(C)(C)C[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000309404890 385572611 /nfs/dbraw/zinc/57/26/11/385572611.db2.gz WXZGOFVPIGDIQU-NSHDSACASA-N 2 1 221.348 2.081 10 0 BEAEMP CC(C)C[C@@H](C)[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000309524367 385667076 /nfs/dbraw/zinc/66/70/76/385667076.db2.gz AWLLNUWPEWNQJE-VXGBXAGGSA-N 2 1 221.348 2.222 10 0 BEAEMP C[NH2+][C@H](C)C[NH2+][C@H]1CCCC[C@@H]1C1CC1 ZINC000414964768 385909483 /nfs/dbraw/zinc/90/94/83/385909483.db2.gz CDSCXATVACSGQP-RTXFEEFZSA-N 2 1 210.365 2.153 10 0 BEAEMP C[C@@H]1[N@@H+](Cc2ccccc2)CC[C@]1([NH3+])C1CC1 ZINC000575568792 386111040 /nfs/dbraw/zinc/11/10/40/386111040.db2.gz OGUWHMQSYNAZPZ-SWLSCSKDSA-N 2 1 230.355 2.388 10 0 BEAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](C[C@@H]3CCC(F)(F)C3)C[C@H]12 ZINC000310379391 386180520 /nfs/dbraw/zinc/18/05/20/386180520.db2.gz GOOYSOJBRVWXMT-WISYIIOYSA-N 2 1 244.329 2.091 10 0 BEAEMP C[C@]1(C[N@@H+]2CCc3sccc3C2)CC[NH2+]C1 ZINC000062910779 386532860 /nfs/dbraw/zinc/53/28/60/386532860.db2.gz PYIXQRXFJZCXRB-ZDUSSCGKSA-N 2 1 236.384 2.106 10 0 BEAEMP C[C@]1(C[N@H+]2CCc3sccc3C2)CC[NH2+]C1 ZINC000062910779 386532865 /nfs/dbraw/zinc/53/28/65/386532865.db2.gz PYIXQRXFJZCXRB-ZDUSSCGKSA-N 2 1 236.384 2.106 10 0 BEAEMP Clc1c[nH+]ccc1N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000334994940 387085724 /nfs/dbraw/zinc/08/57/24/387085724.db2.gz WOKSOHVGAZCUCD-AOOOYVTPSA-N 2 1 237.734 2.066 10 0 BEAEMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1CCC12CCCC2 ZINC000423371589 387226367 /nfs/dbraw/zinc/22/63/67/387226367.db2.gz HPRSOVNVWSVBKG-AVGNSLFASA-N 2 1 222.376 2.439 10 0 BEAEMP C[C@H](c1cccc(F)c1)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000193607314 387857302 /nfs/dbraw/zinc/85/73/02/387857302.db2.gz NANBYOXSXHPZJR-BNOWGMLFSA-N 2 1 248.345 2.380 10 0 BEAEMP C[C@H](c1cccc(F)c1)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193607314 387857309 /nfs/dbraw/zinc/85/73/09/387857309.db2.gz NANBYOXSXHPZJR-BNOWGMLFSA-N 2 1 248.345 2.380 10 0 BEAEMP C[C@H](c1cccc(F)c1)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193607314 387857315 /nfs/dbraw/zinc/85/73/15/387857315.db2.gz NANBYOXSXHPZJR-BNOWGMLFSA-N 2 1 248.345 2.380 10 0 BEAEMP C[C@H](c1cccc(F)c1)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193607314 387857319 /nfs/dbraw/zinc/85/73/19/387857319.db2.gz NANBYOXSXHPZJR-BNOWGMLFSA-N 2 1 248.345 2.380 10 0 BEAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)[C@H](C)[C@H]1[NH3+] ZINC000238850682 387936337 /nfs/dbraw/zinc/93/63/37/387936337.db2.gz CNGGMQNYSIBNDV-COMQUAJESA-N 2 1 232.371 2.490 10 0 BEAEMP C[C@H](CCC[NH3+])Nc1cc[nH+]cc1Cl ZINC000087362264 135126536 /nfs/dbraw/zinc/12/65/36/135126536.db2.gz AWTXASVBTRKYCR-MRVPVSSYSA-N 2 1 213.712 2.274 10 0 BEAEMP C[N@@H+](Cc1ccccc1)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000071521077 388097628 /nfs/dbraw/zinc/09/76/28/388097628.db2.gz RGEJNWVOHDUDKB-UONOGXRCSA-N 2 1 218.344 2.388 10 0 BEAEMP CC[NH+](CC)[C@@H](C)C[NH2+][C@H]1CCCSC1 ZINC000134804710 388479413 /nfs/dbraw/zinc/47/94/13/388479413.db2.gz YEVMKMRHNNRAJC-RYUDHWBXSA-N 2 1 230.421 2.202 10 0 BEAEMP C[C@@H]([NH2+][C@H]1CCC[NH2+][C@H]1C)[C@H]1CC1(C)C ZINC000397670611 388488915 /nfs/dbraw/zinc/48/89/15/388488915.db2.gz QDGOGMBTHLEUFQ-KXNHARMFSA-N 2 1 210.365 2.151 10 0 BEAEMP [NH3+][C@]1(c2ccccc2)CC[C@@H]2CCC[N@@H+]2C1 ZINC000091690792 388592230 /nfs/dbraw/zinc/59/22/30/388592230.db2.gz LXQAPKLETBYZPR-UONOGXRCSA-N 2 1 216.328 2.099 10 0 BEAEMP [NH3+][C@]1(c2ccccc2)CC[C@@H]2CCC[N@H+]2C1 ZINC000091690792 388592231 /nfs/dbraw/zinc/59/22/31/388592231.db2.gz LXQAPKLETBYZPR-UONOGXRCSA-N 2 1 216.328 2.099 10 0 BEAEMP CC(C)(C)c1c[nH]c(CC2CC[NH2+]CC2)[nH+]1 ZINC000038076162 388697279 /nfs/dbraw/zinc/69/72/79/388697279.db2.gz REPWJQANIWXTGY-UHFFFAOYSA-N 2 1 221.348 2.249 10 0 BEAEMP CC[NH+](CC)c1ccc(N2CC[NH2+][C@@H](C)C2)cc1 ZINC000071562501 132394847 /nfs/dbraw/zinc/39/48/47/132394847.db2.gz AJEFCNMKAWGPGD-ZDUSSCGKSA-N 2 1 247.386 2.331 10 0 BEAEMP C[NH+](C)C1CC[NH+](C[C@H]2CCCC2(F)F)CC1 ZINC000336192234 134123986 /nfs/dbraw/zinc/12/39/86/134123986.db2.gz HOYXCIQAECRVHL-LLVKDONJSA-N 2 1 246.345 2.448 10 0 BEAEMP Cc1ccc(N2CCC([NH2+]C(C)C)CC2)[nH+]c1 ZINC000174723288 134283092 /nfs/dbraw/zinc/28/30/92/134283092.db2.gz OPDHAVGALWCFSO-UHFFFAOYSA-N 2 1 233.359 2.357 10 0 BEAEMP C[C@@H]1CC[N@H+](C2CCC2)C[C@@H]1n1ccnc1 ZINC000179586153 134321653 /nfs/dbraw/zinc/32/16/53/134321653.db2.gz FZCCVSNSGTYVTE-YPMHNXCESA-N 2 1 219.332 2.319 10 0 BEAEMP Cc1nccn1C[C@H]1CCC[N@H+]1C1CCC1 ZINC000179583382 134322048 /nfs/dbraw/zinc/32/20/48/134322048.db2.gz FXNXOJMQGIXXLD-CYBMUJFWSA-N 2 1 219.332 2.208 10 0 BEAEMP Cc1cc[nH+]c(N(C)CC[C@@H]([NH3+])C(C)C)c1 ZINC000227738618 134385498 /nfs/dbraw/zinc/38/54/98/134385498.db2.gz BEYLRQADLUITCO-GFCCVEGCSA-N 2 1 221.348 2.200 10 0 BEAEMP CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[N@@H+](CC)C2)C1 ZINC000251797613 135078319 /nfs/dbraw/zinc/07/83/19/135078319.db2.gz XXZBJPDBUSNHMK-MCIONIFRSA-N 2 1 224.392 2.497 10 0 BEAEMP CC1(C)C[N@@H+](CC2CCCC2)CC[C@H]1[NH3+] ZINC000258760617 135133822 /nfs/dbraw/zinc/13/38/22/135133822.db2.gz KQVWBBOWYKZFFG-GFCCVEGCSA-N 2 1 210.365 2.236 10 0 BEAEMP CC1(C)C[N@H+](Cc2ccc(F)cc2)CC[C@H]1[NH3+] ZINC000258935366 135136046 /nfs/dbraw/zinc/13/60/46/135136046.db2.gz XRSYCFCDVDILGD-CYBMUJFWSA-N 2 1 236.334 2.385 10 0 BEAEMP CC1(C)C[N@@H+](Cc2ccc(F)cc2)CC[C@H]1[NH3+] ZINC000258935366 135136047 /nfs/dbraw/zinc/13/60/47/135136047.db2.gz XRSYCFCDVDILGD-CYBMUJFWSA-N 2 1 236.334 2.385 10 0 BEAEMP [NH3+]C[C@@H]1CCC[N@@H+]1C[C@H]1CCCC(F)(F)C1 ZINC000261533073 135164543 /nfs/dbraw/zinc/16/45/43/135164543.db2.gz FSBRYYUMRHERDW-QWRGUYRKSA-N 2 1 232.318 2.235 10 0 BEAEMP [NH3+]C[C@@H]1CCC[N@H+]1C[C@H]1CCCC(F)(F)C1 ZINC000261533073 135164545 /nfs/dbraw/zinc/16/45/45/135164545.db2.gz FSBRYYUMRHERDW-QWRGUYRKSA-N 2 1 232.318 2.235 10 0 BEAEMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1C[C@@H]1CCCC(F)(F)C1 ZINC000261538250 135175591 /nfs/dbraw/zinc/17/55/91/135175591.db2.gz UGEOONNLIBNMLK-UTUOFQBUSA-N 2 1 246.345 2.481 10 0 BEAEMP C[C@@H](c1cccnc1)[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261567045 135209485 /nfs/dbraw/zinc/20/94/85/135209485.db2.gz ZLBSUPRUOSSGTN-AAEUAGOBSA-N 2 1 233.359 2.202 10 0 BEAEMP C[C@@H](c1cccnc1)[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261567045 135209487 /nfs/dbraw/zinc/20/94/87/135209487.db2.gz ZLBSUPRUOSSGTN-AAEUAGOBSA-N 2 1 233.359 2.202 10 0 BEAEMP C[C@@]1(C[N@H+]2CCCC3(CCC3)C2)CC[NH2+]C1 ZINC000262053804 135276766 /nfs/dbraw/zinc/27/67/66/135276766.db2.gz QMMQNKPGITWMGY-CYBMUJFWSA-N 2 1 222.376 2.252 10 0 BEAEMP CC(C)OCC[N@@H+](C)Cc1ccc(C[NH3+])cc1 ZINC000049259286 167227528 /nfs/dbraw/zinc/22/75/28/167227528.db2.gz FZJGGTSUYLRZIF-UHFFFAOYSA-N 2 1 236.359 2.002 10 0 BEAEMP CC(C)C[NH2+]CCC[N@@H+](C)CC(C)C ZINC000052452556 410586193 /nfs/dbraw/zinc/58/61/93/410586193.db2.gz CURMWRKMZFEZQM-UHFFFAOYSA-N 2 1 200.370 2.210 10 0 BEAEMP C[C@@H]1C[N@H+](C[C@@H]2CCCCC2(F)F)C[C@H]1[NH3+] ZINC000394497172 410803527 /nfs/dbraw/zinc/80/35/27/410803527.db2.gz INFLILMPIHKFKI-OUAUKWLOSA-N 2 1 232.318 2.091 10 0 BEAEMP C[C@@H]1C[N@@H+](C[C@@H]2CCCCC2(F)F)C[C@H]1[NH3+] ZINC000394497172 410803531 /nfs/dbraw/zinc/80/35/31/410803531.db2.gz INFLILMPIHKFKI-OUAUKWLOSA-N 2 1 232.318 2.091 10 0 BEAEMP CC(C)[C@H]([NH2+][C@@H]1CCC[NH2+][C@H]1C)C1CC1 ZINC000396654767 410893862 /nfs/dbraw/zinc/89/38/62/410893862.db2.gz FNPKIMXVFVSYEY-UHTWSYAYSA-N 2 1 210.365 2.151 10 0 BEAEMP CC(C)[NH2+]CC(C)(C)C[N@H+]1CCCO[C@@H](C)C1 ZINC000061934224 167097818 /nfs/dbraw/zinc/09/78/18/167097818.db2.gz AWHCTUOVCGANMA-ZDUSSCGKSA-N 2 1 242.407 2.121 10 0 BEAEMP CC(C)[NH2+]CCC[N@@H+](CCO)C1CCCCC1 ZINC000042513793 167102327 /nfs/dbraw/zinc/10/23/27/167102327.db2.gz GHYXIVPZTRUNSE-UHFFFAOYSA-N 2 1 242.407 2.002 10 0 BEAEMP CC(C)[NH2+]C[C@H]1CC[N@@H+]([C@@H](C)c2cccnc2)C1 ZINC000053031107 167115241 /nfs/dbraw/zinc/11/52/41/167115241.db2.gz BBFJKLDVRISLMU-UONOGXRCSA-N 2 1 247.386 2.463 10 0 BEAEMP CC(C)[NH2+]C[C@H]1CC[N@H+]([C@@H](C)c2cccnc2)C1 ZINC000053031107 167115245 /nfs/dbraw/zinc/11/52/45/167115245.db2.gz BBFJKLDVRISLMU-UONOGXRCSA-N 2 1 247.386 2.463 10 0 BEAEMP CC(C)[NH2+]Cc1cc2c(s1)C[N@@H+](C)CC2 ZINC000045206011 167116734 /nfs/dbraw/zinc/11/67/34/167116734.db2.gz VSJKYTKMMQVRSG-UHFFFAOYSA-N 2 1 224.373 2.234 10 0 BEAEMP CC[C@H]1CCCCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000108324153 411144324 /nfs/dbraw/zinc/14/43/24/411144324.db2.gz AAGIJTMNFJZHQX-OLZOCXBDSA-N 2 1 210.365 2.251 10 0 BEAEMP CCCC[C@H](C[NH3+])Nc1cc(CC)[nH+]c(C)n1 ZINC000130525221 411101763 /nfs/dbraw/zinc/10/17/63/411101763.db2.gz MFMIFCXXFSIMTG-GFCCVEGCSA-N 2 1 236.363 2.277 10 0 BEAEMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@H]1CCCC1(C)C ZINC000396724958 411240851 /nfs/dbraw/zinc/24/08/51/411240851.db2.gz VKNPJJZXFFWUFY-TUAOUCFPSA-N 2 1 210.365 2.295 10 0 BEAEMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@@H]1CCCC1(C)C ZINC000396724955 411240884 /nfs/dbraw/zinc/24/08/84/411240884.db2.gz VKNPJJZXFFWUFY-QJPTWQEYSA-N 2 1 210.365 2.295 10 0 BEAEMP CCc1cc(NCC2([NH3+])CCCC2)nc(C)[nH+]1 ZINC000656610893 411308525 /nfs/dbraw/zinc/30/85/25/411308525.db2.gz UJBCUVLXZDYRHI-UHFFFAOYSA-N 2 1 234.347 2.031 10 0 BEAEMP CC[C@H]([NH2+]C1CC[NH+](C)CC1)C(C)(C)C ZINC000167378182 411341038 /nfs/dbraw/zinc/34/10/38/411341038.db2.gz DUDQRMCEPGMUTO-LBPRGKRZSA-N 2 1 212.381 2.495 10 0 BEAEMP CC1([NH2+]C[C@@H]2CCCC[NH2+]2)CCCCC1 ZINC000045047222 168062773 /nfs/dbraw/zinc/06/27/73/168062773.db2.gz SBHMXFRCPHKCAO-LBPRGKRZSA-N 2 1 210.365 2.441 10 0 BEAEMP c1csc(C[NH2+][C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000368842832 411395016 /nfs/dbraw/zinc/39/50/16/411395016.db2.gz AQMUBSWBVCBOIF-SNVBAGLBSA-N 2 1 233.340 2.049 10 0 BEAEMP CC[N@@H+]1CC[C@@H](CNc2cc(C)cc[nH+]2)C1 ZINC000043561496 170008902 /nfs/dbraw/zinc/00/89/02/170008902.db2.gz KLKNHGJWPFRQSP-LBPRGKRZSA-N 2 1 219.332 2.144 10 0 BEAEMP CC[N@H+]1CC[C@@H](CNc2cc(C)cc[nH+]2)C1 ZINC000043561496 170008904 /nfs/dbraw/zinc/00/89/04/170008904.db2.gz KLKNHGJWPFRQSP-LBPRGKRZSA-N 2 1 219.332 2.144 10 0 BEAEMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)CC(C)(C)OC)C1 ZINC000037644173 170016506 /nfs/dbraw/zinc/01/65/06/170016506.db2.gz VHOUKRLIUUCHGY-QWHCGFSZSA-N 2 1 242.407 2.121 10 0 BEAEMP CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCCOC ZINC000054628877 170109694 /nfs/dbraw/zinc/10/96/94/170109694.db2.gz ZELAYEXQEINNNO-AGUYFDCRSA-N 2 1 240.391 2.018 10 0 BEAEMP CC[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(OC)cc2)C1 ZINC000053011091 170120037 /nfs/dbraw/zinc/12/00/37/170120037.db2.gz HFDCPUFMMNYHQQ-AWEZNQCLSA-N 2 1 248.370 2.127 10 0 BEAEMP CC[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(OC)cc2)C1 ZINC000053011091 170120040 /nfs/dbraw/zinc/12/00/40/170120040.db2.gz HFDCPUFMMNYHQQ-AWEZNQCLSA-N 2 1 248.370 2.127 10 0 BEAEMP CC[NH2+][C@@H]1CC[N@H+](C2CCCCCC2)C1 ZINC000037242436 170151768 /nfs/dbraw/zinc/15/17/68/170151768.db2.gz ARTKKILDPRMGOC-GFCCVEGCSA-N 2 1 210.365 2.393 10 0 BEAEMP CC[NH2+][C@H]1CCC[C@@H]1C[N@H+](C)Cc1cccnc1 ZINC000053867310 170166835 /nfs/dbraw/zinc/16/68/35/170166835.db2.gz BGFJEXBXUSHEMG-CABCVRRESA-N 2 1 247.386 2.292 10 0 BEAEMP CC[NH2+][C@H]1CCC[C@@H]1C[N@@H+](C)Cc1cccnc1 ZINC000053867310 170166836 /nfs/dbraw/zinc/16/68/36/170166836.db2.gz BGFJEXBXUSHEMG-CABCVRRESA-N 2 1 247.386 2.292 10 0 BEAEMP CC[NH2+][C@H]1CC[N@H+](C2CCCC2)C[C@@H]1C ZINC000049709046 170167079 /nfs/dbraw/zinc/16/70/79/170167079.db2.gz YEKSWNLCIDVODY-AAEUAGOBSA-N 2 1 210.365 2.249 10 0 BEAEMP CC[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccncc2)C[C@@H]1C ZINC000049712772 170167919 /nfs/dbraw/zinc/16/79/19/170167919.db2.gz ALXCYBOZNGOIDG-YDHLFZDLSA-N 2 1 247.386 2.463 10 0 BEAEMP CC[NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccncc2)C[C@@H]1C ZINC000049712772 170167922 /nfs/dbraw/zinc/16/79/22/170167922.db2.gz ALXCYBOZNGOIDG-YDHLFZDLSA-N 2 1 247.386 2.463 10 0 BEAEMP CC(C)=CCC[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000662267365 412060382 /nfs/dbraw/zinc/06/03/82/412060382.db2.gz UXTPSJBIZWRZIN-CYBMUJFWSA-N 2 1 210.365 2.417 10 0 BEAEMP CC[C@@H]1CC[N@@H+](CC2CCC2)CCC[NH2+]1 ZINC000049665854 171007885 /nfs/dbraw/zinc/00/78/85/171007885.db2.gz BELAYPZZLLKBOB-CYBMUJFWSA-N 2 1 210.365 2.251 10 0 BEAEMP CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000360014113 171390050 /nfs/dbraw/zinc/39/00/50/171390050.db2.gz ILBKASAITFPKFN-SDDRHHMPSA-N 2 1 221.348 2.222 10 0 BEAEMP CC[C@H](C)[C@H]([NH3+])C[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000042689311 171396934 /nfs/dbraw/zinc/39/69/34/171396934.db2.gz NJCPRKJMLINQJM-SGMGOOAPSA-N 2 1 242.407 2.107 10 0 BEAEMP CCc1[nH+]ccn1[C@@H](C[NH3+])c1cccc(C)c1 ZINC000042967869 172029343 /nfs/dbraw/zinc/02/93/43/172029343.db2.gz PSAZALLYWBAQEG-ZDUSSCGKSA-N 2 1 229.327 2.302 10 0 BEAEMP CCc1[nH+]ccn1[C@@H](C[NH3+])c1ccsc1 ZINC000043124264 172029838 /nfs/dbraw/zinc/02/98/38/172029838.db2.gz JGANZEPDCDBKFW-JTQLQIEISA-N 2 1 221.329 2.055 10 0 BEAEMP CCc1[nH+]ccn1[C@H]1CCCC[C@H]1C[NH3+] ZINC000042419623 172030036 /nfs/dbraw/zinc/03/00/36/172030036.db2.gz JVWZJRRXJXKBCM-QWRGUYRKSA-N 2 1 207.321 2.136 10 0 BEAEMP CCn1cc[nH+]c1NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000050614139 172227737 /nfs/dbraw/zinc/22/77/37/172227737.db2.gz SFEJGZCLYDDWHW-GFCCVEGCSA-N 2 1 236.363 2.045 10 0 BEAEMP C[N@H+](Cc1ccccc1)C[C@@H]1CCC[C@@H]1[NH3+] ZINC000053862926 172872599 /nfs/dbraw/zinc/87/25/99/172872599.db2.gz FTUMYCAQOZDBCD-KBPBESRZSA-N 2 1 218.344 2.246 10 0 BEAEMP C[NH+]1CCC([NH2+]Cc2c[nH]c3ccccc23)CC1 ZINC000048436592 172994750 /nfs/dbraw/zinc/99/47/50/172994750.db2.gz RGQAPFCPIZQQKZ-UHFFFAOYSA-N 2 1 243.354 2.352 10 0 BEAEMP C[N@H+]1CCCC[C@@H]1CC[NH2+]CCc1ccccn1 ZINC000049773267 173005482 /nfs/dbraw/zinc/00/54/82/173005482.db2.gz OLAQWQQDAMYTPL-OAHLLOKOSA-N 2 1 247.386 2.088 10 0 BEAEMP C[N@H+]1CCC[C@H]1CCOCc1cccc(C[NH3+])c1 ZINC000052673273 173053742 /nfs/dbraw/zinc/05/37/42/173053742.db2.gz IGYKWDOPPIIVSA-HNNXBMFYSA-N 2 1 248.370 2.146 10 0 BEAEMP C[N@@H+]1CC[C@@H](C[NH2+]Cc2ccccc2Cl)C1 ZINC000037484568 173116775 /nfs/dbraw/zinc/11/67/75/173116775.db2.gz WXWXWTBUNOZDSG-NSHDSACASA-N 2 1 238.762 2.381 10 0 BEAEMP C[N@H+]1CC[C@@H](C[NH2+]Cc2ccccc2Cl)C1 ZINC000037484568 173116778 /nfs/dbraw/zinc/11/67/78/173116778.db2.gz WXWXWTBUNOZDSG-NSHDSACASA-N 2 1 238.762 2.381 10 0 BEAEMP C[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+]CCc1ccco1)C2 ZINC000035661454 173206359 /nfs/dbraw/zinc/20/63/59/173206359.db2.gz UVOLIJQRSSMGBW-YHWZYXNKSA-N 2 1 234.343 2.037 10 0 BEAEMP C[N@H+]1[C@@H]2CC[C@H]1Cc1nc([C@@H]3CCC[NH2+]3)sc12 ZINC000053251350 173207111 /nfs/dbraw/zinc/20/71/11/173207111.db2.gz XFTPMUWQCLSUJX-ATZCPNFKSA-N 2 1 249.383 2.259 10 0 BEAEMP C[N@@H+]1[C@@H]2CC[C@H]1Cc1nc([C@@H]3CCC[NH2+]3)sc12 ZINC000053251350 173207112 /nfs/dbraw/zinc/20/71/12/173207112.db2.gz XFTPMUWQCLSUJX-ATZCPNFKSA-N 2 1 249.383 2.259 10 0 BEAEMP C[NH2+]CC(C)(C)C[N@H+]1CCc2ccccc2C1 ZINC000051212972 173335702 /nfs/dbraw/zinc/33/57/02/173335702.db2.gz NCJGCCXWKUXABP-UHFFFAOYSA-N 2 1 232.371 2.290 10 0 BEAEMP C[NH2+]CCC[N@@H+](C)[C@@H](C)c1cccc(OC)c1 ZINC000124777588 173345846 /nfs/dbraw/zinc/34/58/46/173345846.db2.gz ZFLPNDKICULFBM-LBPRGKRZSA-N 2 1 236.359 2.298 10 0 BEAEMP C[NH2+]CCC[N@@H+](C)[C@H](C)c1cccc(OC)c1 ZINC000124777755 173346213 /nfs/dbraw/zinc/34/62/13/173346213.db2.gz ZFLPNDKICULFBM-GFCCVEGCSA-N 2 1 236.359 2.298 10 0 BEAEMP C[NH2+]CC[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000052419106 173357448 /nfs/dbraw/zinc/35/74/48/173357448.db2.gz FEWOACRXYDFFBP-GFCCVEGCSA-N 2 1 218.344 2.043 10 0 BEAEMP C[NH2+]CC[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000052419105 173358293 /nfs/dbraw/zinc/35/82/93/173358293.db2.gz FEWOACRXYDFFBP-LBPRGKRZSA-N 2 1 218.344 2.043 10 0 BEAEMP C[NH2+]CC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000077364767 173358457 /nfs/dbraw/zinc/35/84/57/173358457.db2.gz MCYUXXIWWZIUPQ-OAHLLOKOSA-N 2 1 232.371 2.161 10 0 BEAEMP C[NH2+]C[C@H](C)[NH+]1CCC(C(C)(C)C)CC1 ZINC000052373554 173376266 /nfs/dbraw/zinc/37/62/66/173376266.db2.gz JKXNYYUQSRRWIG-NSHDSACASA-N 2 1 212.381 2.352 10 0 BEAEMP C[NH2+]C[C@H]1CC[N@H+]([C@@H]2CCc3ccccc3C2)C1 ZINC000053034949 173382057 /nfs/dbraw/zinc/38/20/57/173382057.db2.gz WSQPYFXMOIBRBU-CZUORRHYSA-N 2 1 244.382 2.085 10 0 BEAEMP C[NH2+]Cc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1 ZINC000052484486 173388841 /nfs/dbraw/zinc/38/88/41/173388841.db2.gz WEMZMYDDCAQJEG-CYBMUJFWSA-N 2 1 248.370 2.127 10 0 BEAEMP C[NH2+]Cc1coc(C[N@H+]2CCC[C@H](C)C2)c1 ZINC000052381463 173392975 /nfs/dbraw/zinc/39/29/75/173392975.db2.gz KEZSRJVHQDAJJJ-NSHDSACASA-N 2 1 222.332 2.231 10 0 BEAEMP C[NH2+]Cc1coc(C[N@H+]2CCC[C@@H](C)C2)c1 ZINC000052381461 173393529 /nfs/dbraw/zinc/39/35/29/173393529.db2.gz KEZSRJVHQDAJJJ-LLVKDONJSA-N 2 1 222.332 2.231 10 0 BEAEMP C[NH2+]Cc1nc(C[N@@H+]2CCCC[C@@H]2C)cs1 ZINC000052378459 173394228 /nfs/dbraw/zinc/39/42/28/173394228.db2.gz ZHEOCNFGPSVBAI-JTQLQIEISA-N 2 1 239.388 2.237 10 0 BEAEMP C[NH2+]Cc1nc(C[N@H+]2CCCC[C@@H]2C)cs1 ZINC000052378459 173394229 /nfs/dbraw/zinc/39/42/29/173394229.db2.gz ZHEOCNFGPSVBAI-JTQLQIEISA-N 2 1 239.388 2.237 10 0 BEAEMP C[NH2+]Cc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000052381041 173394934 /nfs/dbraw/zinc/39/49/34/173394934.db2.gz LLYCQUSUYMOPCY-SNVBAGLBSA-N 2 1 239.388 2.094 10 0 BEAEMP C[NH2+]Cc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000052381041 173394936 /nfs/dbraw/zinc/39/49/36/173394936.db2.gz LLYCQUSUYMOPCY-SNVBAGLBSA-N 2 1 239.388 2.094 10 0 BEAEMP C[NH2+]Cc1occc1C[N@H+]1CCC[C@H](C)C1 ZINC000052381309 173399573 /nfs/dbraw/zinc/39/95/73/173399573.db2.gz ZKOCSICHICOTGO-NSHDSACASA-N 2 1 222.332 2.231 10 0 BEAEMP C[NH2+][C@H](Cn1c[nH+]c(C)c1C)C(C)(C)C ZINC000051926328 173455351 /nfs/dbraw/zinc/45/53/51/173455351.db2.gz RAMOLDPZOWEXEK-LLVKDONJSA-N 2 1 209.337 2.134 10 0 BEAEMP COCC[N@@H+](C)CC1(C[NH2+]C(C)C)CCCC1 ZINC000051258762 174275798 /nfs/dbraw/zinc/27/57/98/174275798.db2.gz LYHSORKIGMYNCT-UHFFFAOYSA-N 2 1 242.407 2.123 10 0 BEAEMP COCC[N@@H+]([C@H](C)CC[NH2+]C(C)(C)C)C1CC1 ZINC000052542570 174284499 /nfs/dbraw/zinc/28/44/99/174284499.db2.gz ACJBQMYCWODLDX-GFCCVEGCSA-N 2 1 242.407 2.264 10 0 BEAEMP COCC[N@@H+](C1CC1)[C@@]1(C[NH3+])CCC[C@H](C)C1 ZINC000042517877 174285476 /nfs/dbraw/zinc/28/54/76/174285476.db2.gz VSRJVFGSANNGDK-JSGCOSHPSA-N 2 1 240.391 2.005 10 0 BEAEMP COc1ccc(C)cc1[C@@H](C)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050245067 175078865 /nfs/dbraw/zinc/07/88/65/175078865.db2.gz OMSCNOSGYODWGM-CHWSQXEVSA-N 2 1 248.370 2.345 10 0 BEAEMP COc1ccc(CCC[N@@H+]2CCC[C@H]2C[NH3+])cc1 ZINC000019933309 175089732 /nfs/dbraw/zinc/08/97/32/175089732.db2.gz GRBXTFZTNHLFHL-AWEZNQCLSA-N 2 1 248.370 2.051 10 0 BEAEMP COc1ccc(CCC[N@H+]2CCC[C@H]2C[NH3+])cc1 ZINC000019933309 175089735 /nfs/dbraw/zinc/08/97/35/175089735.db2.gz GRBXTFZTNHLFHL-AWEZNQCLSA-N 2 1 248.370 2.051 10 0 BEAEMP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](C)C2)cc1 ZINC000037646155 175177126 /nfs/dbraw/zinc/17/71/26/175177126.db2.gz UNDVNAGJIUOELQ-OLZOCXBDSA-N 2 1 248.370 2.298 10 0 BEAEMP COc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@@H+](C)C2)cc1 ZINC000037646156 175189672 /nfs/dbraw/zinc/18/96/72/175189672.db2.gz UNDVNAGJIUOELQ-QWHCGFSZSA-N 2 1 248.370 2.298 10 0 BEAEMP COc1ccc([C@H]([NH3+])[C@H](C)n2cc[nH+]c2C)cc1 ZINC000023068847 175192289 /nfs/dbraw/zinc/19/22/89/175192289.db2.gz JMMOPHZCIRCFCH-IINYFYTJSA-N 2 1 245.326 2.461 10 0 BEAEMP COc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)c1 ZINC000040749255 175261469 /nfs/dbraw/zinc/26/14/69/175261469.db2.gz FHSFGUBXWQPZQH-AGUYFDCRSA-N 2 1 246.354 2.149 10 0 BEAEMP COc1cccc(C[N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c1 ZINC000042427413 175261476 /nfs/dbraw/zinc/26/14/76/175261476.db2.gz ZMPJNYHXFVCQHX-JSGCOSHPSA-N 2 1 248.370 2.254 10 0 BEAEMP COc1ccccc1C[N@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000062911588 175325189 /nfs/dbraw/zinc/32/51/89/175325189.db2.gz HMTJZDPDAPWKRT-OAHLLOKOSA-N 2 1 248.370 2.127 10 0 BEAEMP COc1ccccc1C[N@@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000062911588 175325190 /nfs/dbraw/zinc/32/51/90/175325190.db2.gz HMTJZDPDAPWKRT-OAHLLOKOSA-N 2 1 248.370 2.127 10 0 BEAEMP C[C@@H](c1ccccc1)[N@@H+]1CC[NH2+][C@H](C)CC1 ZINC000049661337 176022202 /nfs/dbraw/zinc/02/22/02/176022202.db2.gz VKPFDCPOIHVGGD-OLZOCXBDSA-N 2 1 218.344 2.431 10 0 BEAEMP C[C@@H](c1ccccc1)[N@H+]1CC[NH2+][C@H](C)CC1 ZINC000049661337 176022204 /nfs/dbraw/zinc/02/22/04/176022204.db2.gz VKPFDCPOIHVGGD-OLZOCXBDSA-N 2 1 218.344 2.431 10 0 BEAEMP C[C@@H](c1cccs1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000100256724 176034376 /nfs/dbraw/zinc/03/43/76/176034376.db2.gz XZDHMSCIVWBHAY-UWVGGRQHSA-N 2 1 210.346 2.090 10 0 BEAEMP C[C@@H](c1ccncc1)[N@H+]1CC[C@@H](C)[NH2+]C[C@@H](C)C1 ZINC000049666705 176035587 /nfs/dbraw/zinc/03/55/87/176035587.db2.gz CITSHMQMXAUCPR-MCIONIFRSA-N 2 1 247.386 2.463 10 0 BEAEMP C[C@@H]1CC(C)(C)C[C@](C[NH3+])([NH2+]C2CC2)C1 ZINC000050271074 176052583 /nfs/dbraw/zinc/05/25/83/176052583.db2.gz ZFEMCQQENHKGCO-ZWNOBZJWSA-N 2 1 210.365 2.282 10 0 BEAEMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]C1CCC1 ZINC000044480011 176070900 /nfs/dbraw/zinc/07/09/00/176070900.db2.gz FROZWIGFEPQNPG-GFCCVEGCSA-N 2 1 210.365 2.393 10 0 BEAEMP C[C@@H]1CC[N@H+](Cc2cccc(F)c2)CCC[NH2+]1 ZINC000049665696 176176526 /nfs/dbraw/zinc/17/65/26/176176526.db2.gz ZMEFRADJQFEMAU-GFCCVEGCSA-N 2 1 236.334 2.400 10 0 BEAEMP C[C@@H]1CC[N@@H+](Cc2cccc(F)c2)CCC[NH2+]1 ZINC000049665696 176176528 /nfs/dbraw/zinc/17/65/28/176176528.db2.gz ZMEFRADJQFEMAU-GFCCVEGCSA-N 2 1 236.334 2.400 10 0 BEAEMP C[C@@H]1CC[C@@H](C[NH3+])[C@H]([N@@H+](C)Cc2ccncc2)C1 ZINC000036771882 176202262 /nfs/dbraw/zinc/20/22/62/176202262.db2.gz VPNSYXMLKFAIHR-VHDGCEQUSA-N 2 1 247.386 2.277 10 0 BEAEMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1ccc(F)cc1 ZINC000042427374 176224300 /nfs/dbraw/zinc/22/43/00/176224300.db2.gz NMAOAWLKDGEAHC-DGCLKSJQSA-N 2 1 236.334 2.385 10 0 BEAEMP C[C@@H]1C[N@H+](C2(C)CCCCC2)CC[C@@H]1[NH3+] ZINC000045046026 176280238 /nfs/dbraw/zinc/28/02/38/176280238.db2.gz IENSCRYGFMSYRS-NEPJUHHUSA-N 2 1 210.365 2.378 10 0 BEAEMP C[C@@H]1C[N@@H+](CC[C@H]([NH3+])c2ccccc2)CCCO1 ZINC000061934319 176294760 /nfs/dbraw/zinc/29/47/60/176294760.db2.gz SLTFGTNZJQBDBX-HIFRSBDPSA-N 2 1 248.370 2.187 10 0 BEAEMP C[C@@H]1C[NH2+]CCC[N@@H+](CC2CCCC2)C1 ZINC000049666019 176324731 /nfs/dbraw/zinc/32/47/31/176324731.db2.gz RBUMIXUHBORKJA-GFCCVEGCSA-N 2 1 210.365 2.108 10 0 BEAEMP C[C@H]1CCC[N@@H+](CCC[C@@H]2CCC[NH2+]2)C1 ZINC000052764276 177097814 /nfs/dbraw/zinc/09/78/14/177097814.db2.gz JQHMZUZKSVFCHQ-STQMWFEESA-N 2 1 210.365 2.251 10 0 BEAEMP C[C@H]1CCC[N@@H+]1CCc1[nH]c2ccc(N)cc2[nH+]1 ZINC000037909998 177109332 /nfs/dbraw/zinc/10/93/32/177109332.db2.gz BVJLTWRCBHISCA-JTQLQIEISA-N 2 1 244.342 2.172 10 0 BEAEMP C[C@H]1CCC[N@H+]1CCc1[nH]c2ccc(N)cc2[nH+]1 ZINC000037909998 177109333 /nfs/dbraw/zinc/10/93/33/177109333.db2.gz BVJLTWRCBHISCA-JTQLQIEISA-N 2 1 244.342 2.172 10 0 BEAEMP C[C@H]1CCC[N@H+]1CCOc1ccc(CC[NH3+])cc1 ZINC000037910100 177109721 /nfs/dbraw/zinc/10/97/21/177109721.db2.gz OVEZQRHSBZZLIE-ZDUSSCGKSA-N 2 1 248.370 2.051 10 0 BEAEMP C[C@@H]1CC[N@H+](CC2CCC2)CC[C@H](C)[NH2+]1 ZINC000049665864 177159481 /nfs/dbraw/zinc/15/94/81/177159481.db2.gz MGQQGJCJNJAYPL-TXEJJXNPSA-N 2 1 210.365 2.249 10 0 BEAEMP C[C@@H]1CC[N@@H+](Cc2ccncc2)CC[C@H](C)[NH2+]1 ZINC000049666611 177166885 /nfs/dbraw/zinc/16/68/85/177166885.db2.gz YSOGIQDBJVRFQZ-BETUJISGSA-N 2 1 233.359 2.044 10 0 BEAEMP C[C@@H]1CC[N@H+](Cc2ccncc2)CC[C@H](C)[NH2+]1 ZINC000049666611 177166888 /nfs/dbraw/zinc/16/68/88/177166888.db2.gz YSOGIQDBJVRFQZ-BETUJISGSA-N 2 1 233.359 2.044 10 0 BEAEMP C[C@@H](c1ccco1)[N@@H+]1CCC[NH2+][C@@H](C)CC1 ZINC000044390338 177170335 /nfs/dbraw/zinc/17/03/35/177170335.db2.gz QJHOVKVZUNURQL-RYUDHWBXSA-N 2 1 222.332 2.415 10 0 BEAEMP C[C@@H](c1ccco1)[N@H+]1CCC[NH2+][C@@H](C)CC1 ZINC000044390338 177170337 /nfs/dbraw/zinc/17/03/37/177170337.db2.gz QJHOVKVZUNURQL-RYUDHWBXSA-N 2 1 222.332 2.415 10 0 BEAEMP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1cccs1 ZINC000042427268 177189406 /nfs/dbraw/zinc/18/94/06/177189406.db2.gz UULKCNKNLCNSLY-QWRGUYRKSA-N 2 1 224.373 2.307 10 0 BEAEMP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1ccccc1F ZINC000042427283 177189599 /nfs/dbraw/zinc/18/95/99/177189599.db2.gz MGADHQSYXNFFFM-RYUDHWBXSA-N 2 1 236.334 2.385 10 0 BEAEMP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1ccccc1 ZINC000042427363 177189840 /nfs/dbraw/zinc/18/98/40/177189840.db2.gz TYQOEBOKARBTQU-JSGCOSHPSA-N 2 1 218.344 2.246 10 0 BEAEMP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1ccc(F)cc1 ZINC000042427375 177201011 /nfs/dbraw/zinc/20/10/11/177201011.db2.gz NMAOAWLKDGEAHC-WCQYABFASA-N 2 1 236.334 2.385 10 0 BEAEMP C[C@H]1C[N@@H+](CCOC2CCCCC2)CC[C@@H]1[NH3+] ZINC000104436830 177253388 /nfs/dbraw/zinc/25/33/88/177253388.db2.gz RYKXIIYVKYVTQP-JSGCOSHPSA-N 2 1 240.391 2.005 10 0 BEAEMP C[C@H]1C[NH2+]CCC[N@@H+](Cc2ccccc2)C1 ZINC000049664209 177281372 /nfs/dbraw/zinc/28/13/72/177281372.db2.gz HXXXKABEVQNWHL-ZDUSSCGKSA-N 2 1 218.344 2.118 10 0 BEAEMP C[C@H]1C[NH2+]CCC[N@H+]([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000044660187 177281634 /nfs/dbraw/zinc/28/16/34/177281634.db2.gz MCNYFOSFCSNYAW-NUEKZKHPSA-N 2 1 244.382 2.474 10 0 BEAEMP C[C@@H]1C[NH2+]C[C@H](C)C[N@@H+](C2CCCC2)C1 ZINC000049664906 177285017 /nfs/dbraw/zinc/28/50/17/177285017.db2.gz WGLNXLUHZJMZDZ-TXEJJXNPSA-N 2 1 210.365 2.106 10 0 BEAEMP C[C@@H]1C[NH2+]C[C@H](C)C[N@H+](CCc2ccccc2)C1 ZINC000049664783 177285763 /nfs/dbraw/zinc/28/57/63/177285763.db2.gz ZLVXTJRIKIOLQQ-GASCZTMLSA-N 2 1 246.398 2.407 10 0 BEAEMP C[C@@H]1C[C@H](C)C[N@H+](CCC[C@@H]2CCC[NH2+]2)C1 ZINC000052764250 177313278 /nfs/dbraw/zinc/31/32/78/177313278.db2.gz FKDUKLRXMMRFNB-MJBXVCDLSA-N 2 1 224.392 2.497 10 0 BEAEMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCOC1CCCCC1 ZINC000104436820 177327934 /nfs/dbraw/zinc/32/79/34/177327934.db2.gz FBCAZTYABKPMIJ-STQMWFEESA-N 2 1 240.391 2.147 10 0 BEAEMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCc1ccc(F)cc1 ZINC000049708197 177363948 /nfs/dbraw/zinc/36/39/48/177363948.db2.gz PVIKCEVEHRXVHA-SMDDNHRTSA-N 2 1 236.334 2.180 10 0 BEAEMP Cc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)o1 ZINC000400353898 226341695 /nfs/dbraw/zinc/34/16/95/226341695.db2.gz ANJKMOQCIAHGTE-GRYCIOLGSA-N 2 1 222.332 2.237 10 0 BEAEMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@H](C)C(C)C ZINC000252684161 487829371 /nfs/dbraw/zinc/82/93/71/487829371.db2.gz FZWFNVUGOHWPIL-VXGBXAGGSA-N 2 1 200.370 2.336 10 0 BEAEMP CC(C)[C@H](C)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252872424 487836805 /nfs/dbraw/zinc/83/68/05/487836805.db2.gz UEHYAJPLXYWUHC-ZDEQEGDKSA-N 2 1 210.365 2.090 10 0 BEAEMP Clc1cscc1C[NH2+]C[C@H]1CC[NH2+]C1 ZINC000666845579 487889823 /nfs/dbraw/zinc/88/98/23/487889823.db2.gz WWEMQQATZDZQEJ-QMMMGPOBSA-N 2 1 230.764 2.101 10 0 BEAEMP Clc1ccsc1C[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000398383687 323185443 /nfs/dbraw/zinc/18/54/43/323185443.db2.gz ICRPJPBLCKTCMV-MRVPVSSYSA-N 2 1 230.764 2.101 10 0 BEAEMP Cc1cccc(N[C@H]2CCC[C@H]([NH3+])C2)[nH+]1 ZINC000257656766 488076497 /nfs/dbraw/zinc/07/64/97/488076497.db2.gz QVWKNRQHPJPTFD-QWRGUYRKSA-N 2 1 205.305 2.072 10 0 BEAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](C[C@@H]3CC[C@@H]4C[C@@H]4C3)C[C@H]12 ZINC000403658585 488131107 /nfs/dbraw/zinc/13/11/07/488131107.db2.gz SKHFAKUZTWFXGN-PMXAPFLYSA-N 2 1 234.387 2.092 10 0 BEAEMP CC(C)C[N@H+]1CCC[C@@]12CCC[NH2+][C@@H]2C ZINC000757124245 582499394 /nfs/dbraw/zinc/49/93/94/582499394.db2.gz CFOLKHFBJXSDBV-CHWSQXEVSA-N 2 1 210.365 2.249 10 0 BEAEMP CC[C@H](C)[N@H+]1CCC[C@@]12CC[C@@H](C)[NH2+]C2 ZINC000757130746 582505043 /nfs/dbraw/zinc/50/50/43/582505043.db2.gz NYYNHKFEJDZOOO-AGIUHOORSA-N 2 1 210.365 2.391 10 0 BEAEMP CC[N@@H+]1CC[C@H]([NH+]2CCCCC2)C[C@H]1C ZINC000252474524 521720236 /nfs/dbraw/zinc/72/02/36/521720236.db2.gz HACCXFVGOBDVMD-OLZOCXBDSA-N 2 1 210.365 2.345 10 0 BEAEMP CC[N@H+]1CC[C@H]([NH+]2CCCCC2)C[C@H]1C ZINC000252474524 521720237 /nfs/dbraw/zinc/72/02/37/521720237.db2.gz HACCXFVGOBDVMD-OLZOCXBDSA-N 2 1 210.365 2.345 10 0 BEAEMP CCC[N@H+]1CC[C@@H]([NH+]2CCCC2)[C@@H](C)C1 ZINC000226858165 534949402 /nfs/dbraw/zinc/94/94/02/534949402.db2.gz LSFDYFLOEXRDQN-QWHCGFSZSA-N 2 1 210.365 2.203 10 0 BEAEMP CC(C)C[N@H+]1CC[C@@H]([NH2+]C2CC2)[C@@H](C)C1 ZINC000226859207 535134156 /nfs/dbraw/zinc/13/41/56/535134156.db2.gz OMERQUVAOCXVFM-WCQYABFASA-N 2 1 210.365 2.105 10 0 BEAEMP CCn1cccc1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000226866140 536102232 /nfs/dbraw/zinc/10/22/32/536102232.db2.gz HOPRZXZTNGJQFO-STQMWFEESA-N 2 1 235.375 2.080 10 0 BEAEMP CCn1cccc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000226866140 536102235 /nfs/dbraw/zinc/10/22/35/536102235.db2.gz HOPRZXZTNGJQFO-STQMWFEESA-N 2 1 235.375 2.080 10 0 BEAEMP CC(C)CC[N@H+]1CCC[C@@]12C[NH2+]C[C@H](C)C2 ZINC000757127978 582503303 /nfs/dbraw/zinc/50/33/03/582503303.db2.gz IKGITYXQIRLARY-ZIAGYGMSSA-N 2 1 224.392 2.497 10 0 BEAEMP COCC[C@H](C)[N@H+]1CCC[C@@]12CC[C@H](C)[NH2+]C2 ZINC000757129526 582503867 /nfs/dbraw/zinc/50/38/67/582503867.db2.gz LVPKSLOZKOSVLV-IHRRRGAJSA-N 2 1 240.391 2.018 10 0 BEAEMP C[C@H]1[NH2+]CCC[C@]12CCC[N@H+]2CCC1CC1 ZINC000757133765 582510687 /nfs/dbraw/zinc/51/06/87/582510687.db2.gz UEEGGKJLMWBYIS-OCCSQVGLSA-N 2 1 222.376 2.393 10 0 BEAEMP C[C@H]1CC[NH2+]C2(CC(C)(C)[NH2+]C(C)(C)C2)O1 ZINC000757139829 582520305 /nfs/dbraw/zinc/52/03/05/582520305.db2.gz IDADXANEXKRXJA-JTQLQIEISA-N 2 1 226.364 2.022 10 0 BEAEMP CCC1(CC)C[NH2+]C2(C[C@H]3CC[C@@H](C2)[NH2+]3)OC1 ZINC000757148917 582532930 /nfs/dbraw/zinc/53/29/30/582532930.db2.gz OMPTZSCDSBTIMP-ONXXMXGDSA-N 2 1 238.375 2.023 10 0 BEAEMP CC[C@@H]1C[N@H+]([C@@H]2CC[NH2+][C@H](C)C2)C[C@H](CC)O1 ZINC000398581559 583144681 /nfs/dbraw/zinc/14/46/81/583144681.db2.gz MIEBNOIMWPTYFX-SYQHCUMBSA-N 2 1 240.391 2.016 10 0 BEAEMP CC[C@@H]1C[N@@H+]([C@@H]2CC[NH2+][C@H](C)C2)C[C@H](CC)O1 ZINC000398581559 583144683 /nfs/dbraw/zinc/14/46/83/583144683.db2.gz MIEBNOIMWPTYFX-SYQHCUMBSA-N 2 1 240.391 2.016 10 0 BEAEMP C[C@H]1CCC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000108353983 583600421 /nfs/dbraw/zinc/60/04/21/583600421.db2.gz NZDCISWSDGIBJO-QWHCGFSZSA-N 2 1 210.365 2.108 10 0 BEAEMP C[C@H]1CC[C@]2(CCC[N@H+]2CCC2CC2)C[NH2+]1 ZINC000757129665 586425929 /nfs/dbraw/zinc/42/59/29/586425929.db2.gz MSXUDPRIDMHTGJ-GXTWGEPZSA-N 2 1 222.376 2.393 10 0 BEAEMP C[C@H]1C[C@@H]1[N@H+]1CCC[C@]12CC[C@@H](C)[NH2+]C2 ZINC000757131095 586426331 /nfs/dbraw/zinc/42/63/31/586426331.db2.gz PETFBWQQYSALJD-QNWHQSFQSA-N 2 1 208.349 2.001 10 0 BEAEMP C[C@H]1[NH2+]CCC[C@@]12CCC[N@H+]2CCC1CC1 ZINC000757133772 586427210 /nfs/dbraw/zinc/42/72/10/586427210.db2.gz UEEGGKJLMWBYIS-TZMCWYRMSA-N 2 1 222.376 2.393 10 0 BEAEMP [NH3+][C@@H]1CC[NH2+][C@H](c2cscc2C(F)F)C1 ZINC000757232409 586443031 /nfs/dbraw/zinc/44/30/31/586443031.db2.gz IEDPIXRQHXVBFC-MUWHJKNJSA-N 2 1 232.299 2.438 10 0 BEAEMP [NH3+]C[C@H]1CC[C@H](c2cscc2C(F)F)C[NH2+]1 ZINC000757232966 586443422 /nfs/dbraw/zinc/44/34/22/586443422.db2.gz JLJLYUZQNZAMPI-JGVFFNPUSA-N 2 1 246.326 2.480 10 0 BEAEMP C/C(=C/c1ccccc1)C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000229500266 640961590 /nfs/dbraw/zinc/96/15/90/640961590.db2.gz VCZQLEOXZXJBCG-CTXBLAANSA-N 2 1 230.355 2.371 10 0 BEAEMP C[C@@H](C[NH2+]Cc1ccoc1)C[NH+]1CCCCC1 ZINC000062103685 641021321 /nfs/dbraw/zinc/02/13/21/641021321.db2.gz YKDNSLVKGOGLSA-ZDUSSCGKSA-N 2 1 236.359 2.491 10 0 BEAEMP CC[C@H](C)[N@H+]1CCC[C@]12C[NH2+]C[C@H](C)C2 ZINC000757132722 643257885 /nfs/dbraw/zinc/25/78/85/643257885.db2.gz RRODXZYTRSHGBL-AGIUHOORSA-N 2 1 210.365 2.249 10 0 BEAEMP C[C@@H]1C[N@H+]([C@@H]2C[C@H]2c2ccccc2)CC[C@H]1[NH3+] ZINC000251925995 644830548 /nfs/dbraw/zinc/83/05/48/644830548.db2.gz YIRKCKKSGODIAD-FAAHXZRKSA-N 2 1 230.355 2.212 10 0 BEAEMP [NH3+]CCC[N@@H+](CCc1ccccc1)C1CC1 ZINC000036732081 712483842 /nfs/dbraw/zinc/48/38/42/712483842.db2.gz SGBDFNYCBVIVFF-UHFFFAOYSA-N 2 1 218.344 2.042 10 0 BEAEMP CCC[C@@H](C)C[NH2+]C[C@@H]1CC[N@@H+](CC)C1 ZINC000037484260 712650678 /nfs/dbraw/zinc/65/06/78/712650678.db2.gz VUNBDXXBGGGNBL-OLZOCXBDSA-N 2 1 212.381 2.354 10 0 BEAEMP C[N@@H+](CCC[NH2+]C1CC1)Cc1cccs1 ZINC000037478594 711466919 /nfs/dbraw/zinc/46/69/19/711466919.db2.gz WJOCQIFZTXYDSL-UHFFFAOYSA-N 2 1 224.373 2.322 10 0 BEAEMP CC[C@H]1CCCC[N@H+]1CCC[NH2+]C1CC1 ZINC000037478553 711466855 /nfs/dbraw/zinc/46/68/55/711466855.db2.gz LSGKCNZRKRNOQM-ZDUSSCGKSA-N 2 1 210.365 2.393 10 0 BEAEMP C[N@H+](CCC[NH2+]C1CC1)Cc1cccs1 ZINC000037478594 711466918 /nfs/dbraw/zinc/46/69/18/711466918.db2.gz WJOCQIFZTXYDSL-UHFFFAOYSA-N 2 1 224.373 2.322 10 0 BEAEMP C[N@@H+](CC[C@@H]1C[C@H]1C1CC1)[C@@H]1CCC[NH2+]CC1 ZINC000714868822 712502103 /nfs/dbraw/zinc/50/21/03/712502103.db2.gz YJSUPEYZVFHKRU-KFWWJZLASA-N 2 1 236.403 2.497 10 0 BEAEMP CCc1nc(NCC[C@@H]2C[NH2+]C[C@H]2C)cc(C)[nH+]1 ZINC000721031663 712887788 /nfs/dbraw/zinc/88/77/88/712887788.db2.gz NGKJMYAUWQSLBB-ZYHUDNBSSA-N 2 1 248.374 2.005 10 0 BEAEMP C[C@@H]1C[NH2+]C[C@H]1CCNc1[nH]c2ccccc2[nH+]1 ZINC000721092616 712890260 /nfs/dbraw/zinc/89/02/60/712890260.db2.gz CNIHDJBADJQMCU-GHMZBOCLSA-N 2 1 244.342 2.220 10 0 BEAEMP CC[NH+](CC)[C@H](C)C[NH2+]CCC(C)C ZINC000047888332 1171572839 /nfs/dbraw/zinc/57/28/39/1171572839.db2.gz PBYJQJNQLOCGAA-GFCCVEGCSA-N 2 1 200.370 2.352 10 0 BEAEMP CC[N@H+]1CC[C@@H]([NH3+])[C@@]12CCCC(C)(C)C2 ZINC000685953533 538898096 /nfs/dbraw/zinc/89/80/96/538898096.db2.gz IGFFGXGJIJTBKY-YPMHNXCESA-N 2 1 210.365 2.378 10 0 BEAEMP C[C@H]1C[C@@]2(CC(C)(C)C1)[C@@H]([NH3+])CC[N@H+]2C ZINC000685953893 538898464 /nfs/dbraw/zinc/89/84/64/538898464.db2.gz JGJGYTQWQJVRNP-NTZNESFSSA-N 2 1 210.365 2.234 10 0 BEAEMP CC(C)[N@H+]1CC[C@@H]([NH3+])[C@@]12CCC[C@@H](C)C2 ZINC000685953119 538897555 /nfs/dbraw/zinc/89/75/55/538897555.db2.gz GEOJHZJSLOOTFB-UPJWGTAASA-N 2 1 210.365 2.377 10 0 BEAEMP C[C@@]1([NH3+])C[NH2+]C[C@H]1c1ccc(C(F)F)cc1 ZINC000685965354 538912006 /nfs/dbraw/zinc/91/20/06/538912006.db2.gz AYTDJQLWARFBMB-CMPLNLGQSA-N 2 1 226.270 2.028 10 0 BEAEMP [NH3+][C@H]1CCC[C@]12CC[N@@H+](Cc1ccccc1)C2 ZINC000071373385 398148111 /nfs/dbraw/zinc/14/81/11/398148111.db2.gz XSLBNUDXCRSMOS-LSDHHAIUSA-N 2 1 230.355 2.390 10 0 BEAEMP Cc1cc(C[NH2+]CCC[NH+](C)C)cc(C)c1O ZINC000020305176 178020563 /nfs/dbraw/zinc/02/05/63/178020563.db2.gz FBFOOKXYDKKJAU-UHFFFAOYSA-N 2 1 236.359 2.050 10 0 BEAEMP CC1(C)CC[C@@H]([NH3+])C[N@@H+]1Cc1ccccc1 ZINC000258883212 349518788 /nfs/dbraw/zinc/51/87/88/349518788.db2.gz SWLVJRPGACPDIT-CYBMUJFWSA-N 2 1 218.344 2.388 10 0 BEAEMP CC1(C)CC[C@@H]([NH3+])C[N@H+]1Cc1ccccc1 ZINC000258883212 349518792 /nfs/dbraw/zinc/51/87/92/349518792.db2.gz SWLVJRPGACPDIT-CYBMUJFWSA-N 2 1 218.344 2.388 10 0 BEAEMP Cc1cc([C@@H](C)[N@H+]2CC[C@H](C[NH3+])C2)c(C)o1 ZINC000044730731 178221521 /nfs/dbraw/zinc/22/15/21/178221521.db2.gz MGJMRJWLWOEYEF-ZYHUDNBSSA-N 2 1 222.332 2.238 10 0 BEAEMP CCC(CC)C[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000370965099 168363248 /nfs/dbraw/zinc/36/32/48/168363248.db2.gz KFVRVFUCQKZITJ-GFCCVEGCSA-N 2 1 221.348 2.224 10 0 BEAEMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1C[C@H]1CCCCC1(F)F ZINC000381590218 398254064 /nfs/dbraw/zinc/25/40/64/398254064.db2.gz DIRSECRDHRRGFI-GRYCIOLGSA-N 2 1 246.345 2.481 10 0 BEAEMP CCC(CC)[N@@H+](C)CCNCC[NH+](CC)CC ZINC000053384030 168369004 /nfs/dbraw/zinc/36/90/04/168369004.db2.gz RCQVORDIQCWDDO-UHFFFAOYSA-N 2 1 243.439 2.038 10 0 BEAEMP CCC(CC)[N@@H+](CCOC)C[C@H](N)C(C)(C)C ZINC000042616075 168373752 /nfs/dbraw/zinc/37/37/52/168373752.db2.gz HCHZCUZTRIBRTR-ZDUSSCGKSA-N 2 1 244.423 2.497 10 0 BEAEMP CCC(CC)[N@H+](CCOC)C[C@H]([NH3+])C(C)(C)C ZINC000042616075 168373755 /nfs/dbraw/zinc/37/37/55/168373755.db2.gz HCHZCUZTRIBRTR-ZDUSSCGKSA-N 2 1 244.423 2.497 10 0 BEAEMP CCC(CC)[N@H+](CCOC)[C@H]1CC[C@H](C)[NH2+]C1 ZINC000062948917 168376460 /nfs/dbraw/zinc/37/64/60/168376460.db2.gz MNDFKVJTEZDPIB-JSGCOSHPSA-N 2 1 242.407 2.264 10 0 BEAEMP Cc1cc([C@@H]2C[C@H]([NH3+])CC[N@H+]2C)ccc1F ZINC000211555417 539022686 /nfs/dbraw/zinc/02/26/86/539022686.db2.gz LERJWVPZCZSJGP-YPMHNXCESA-N 2 1 222.307 2.228 10 0 BEAEMP Cc1cc([C@@H]2C[C@H]([NH3+])CC[N@@H+]2C)ccc1F ZINC000211555417 539022687 /nfs/dbraw/zinc/02/26/87/539022687.db2.gz LERJWVPZCZSJGP-YPMHNXCESA-N 2 1 222.307 2.228 10 0 BEAEMP CC[N@@H+](CCCCCC[NH3+])Cc1cccnc1 ZINC000138558977 342902386 /nfs/dbraw/zinc/90/23/86/342902386.db2.gz CXADOGWWJQWMQB-UHFFFAOYSA-N 2 1 235.375 2.423 10 0 BEAEMP c1cncc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000037916368 398335174 /nfs/dbraw/zinc/33/51/74/398335174.db2.gz VETUIURHQDMZIE-GJZGRUSLSA-N 2 1 245.370 2.046 10 0 BEAEMP c1cncc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000037916368 398335175 /nfs/dbraw/zinc/33/51/75/398335175.db2.gz VETUIURHQDMZIE-GJZGRUSLSA-N 2 1 245.370 2.046 10 0 BEAEMP CC[C@H](C)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037916542 398335297 /nfs/dbraw/zinc/33/52/97/398335297.db2.gz XSRTUPIIARLOOR-AVGNSLFASA-N 2 1 210.365 2.249 10 0 BEAEMP CC(C)=CC[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000123306256 187225867 /nfs/dbraw/zinc/22/58/67/187225867.db2.gz DJBZASGWBJEDBN-STQMWFEESA-N 2 1 210.365 2.367 10 0 BEAEMP CC(C)=CC[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000123306256 187225870 /nfs/dbraw/zinc/22/58/70/187225870.db2.gz DJBZASGWBJEDBN-STQMWFEESA-N 2 1 210.365 2.367 10 0 BEAEMP CC(C)=CC[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123306256 187225871 /nfs/dbraw/zinc/22/58/71/187225871.db2.gz DJBZASGWBJEDBN-STQMWFEESA-N 2 1 210.365 2.367 10 0 BEAEMP CC(C)=CC[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123306256 187225873 /nfs/dbraw/zinc/22/58/73/187225873.db2.gz DJBZASGWBJEDBN-STQMWFEESA-N 2 1 210.365 2.367 10 0 BEAEMP C1=C[C@H]2C[C@@H]1C[C@@H]2C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000035054456 187245515 /nfs/dbraw/zinc/24/55/15/187245515.db2.gz KHCQSSUTBJTGCC-HZSPNIEDSA-N 2 1 246.398 2.415 10 0 BEAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000043642008 343479543 /nfs/dbraw/zinc/47/95/43/343479543.db2.gz IFQRFSKEHYUZAT-QLFBSQMISA-N 2 1 230.355 2.246 10 0 BEAEMP C[NH2+]Cc1ccc(C[N@H+]2CC[C@H](C)C2)cc1 ZINC000052484593 187270957 /nfs/dbraw/zinc/27/09/57/187270957.db2.gz KMIWAXSBQMKQNI-LBPRGKRZSA-N 2 1 218.344 2.248 10 0 BEAEMP Cc1cc(N)c[nH+]c1NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000052813446 187271462 /nfs/dbraw/zinc/27/14/62/187271462.db2.gz CIWUDGBBQJVTNJ-LBPRGKRZSA-N 2 1 248.374 2.114 10 0 BEAEMP Cc1cc(N)c[nH+]c1NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000052813446 187271463 /nfs/dbraw/zinc/27/14/63/187271463.db2.gz CIWUDGBBQJVTNJ-LBPRGKRZSA-N 2 1 248.374 2.114 10 0 BEAEMP Cc1ccc(C[NH+]2CC[C@@H](C)[NH2+][C@H](C)CC2)cn1 ZINC000062076137 178579623 /nfs/dbraw/zinc/57/96/23/178579623.db2.gz WXIAQKBILSLZQG-ZIAGYGMSSA-N 2 1 247.386 2.352 10 0 BEAEMP FC1(F)CCC[C@H]2C[N@H+](C3CC[NH2+]CC3)C[C@H]21 ZINC000409431485 343823636 /nfs/dbraw/zinc/82/36/36/343823636.db2.gz SMLZHNROBGCDGV-CMPLNLGQSA-N 2 1 244.329 2.106 10 0 BEAEMP FC1(F)CCC[C@H]2C[N@H+](C3CC[NH2+]CC3)C[C@@H]21 ZINC000409431489 343823702 /nfs/dbraw/zinc/82/37/02/343823702.db2.gz SMLZHNROBGCDGV-JQWIXIFHSA-N 2 1 244.329 2.106 10 0 BEAEMP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1C[C@H]1CCCCC1(F)F ZINC000385264050 344384634 /nfs/dbraw/zinc/38/46/34/344384634.db2.gz QWCWPILJAMKASF-MXWKQRLJSA-N 2 1 232.318 2.233 10 0 BEAEMP C[C@@H]1C[C@H]([NH3+])C[N@H+]1C[C@H]1CCCCC1(F)F ZINC000385264050 344384636 /nfs/dbraw/zinc/38/46/36/344384636.db2.gz QWCWPILJAMKASF-MXWKQRLJSA-N 2 1 232.318 2.233 10 0 BEAEMP C1C[C@H]2C[C@@H]([NH2+][C@@H]3CCCSC3)CC[N@H+]2C1 ZINC000128096046 192075999 /nfs/dbraw/zinc/07/59/99/192075999.db2.gz AXCTWBUTLBZZFT-XQQFMLRXSA-N 2 1 240.416 2.098 10 0 BEAEMP COc1ccc(C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)cc1C ZINC000634998152 345197390 /nfs/dbraw/zinc/19/73/90/345197390.db2.gz BMDVDFQNAVSIOM-JSGCOSHPSA-N 2 1 248.370 2.030 10 0 BEAEMP Cc1ccc(F)c(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000634998072 345197454 /nfs/dbraw/zinc/19/74/54/345197454.db2.gz AHFLQVFFPQKLAF-YPMHNXCESA-N 2 1 236.334 2.161 10 0 BEAEMP C[C@H](C[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1)c1ccccc1 ZINC000634998516 345198551 /nfs/dbraw/zinc/19/85/51/345198551.db2.gz GRUJHXNJCMVDAF-NFAWXSAZSA-N 2 1 232.371 2.317 10 0 BEAEMP CCOc1ccc(C[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000634999849 345201149 /nfs/dbraw/zinc/20/11/49/345201149.db2.gz AQURBSVDWVUSQA-OCCSQVGLSA-N 2 1 248.370 2.112 10 0 BEAEMP CC[N@@H+](CC(C)C)[C@H]1CCC[C@H](C[NH3+])C1 ZINC000675054253 537893258 /nfs/dbraw/zinc/89/32/58/537893258.db2.gz QSRQVWXHDYTODZ-STQMWFEESA-N 2 1 212.381 2.482 10 0 BEAEMP Cc1ccccc1C[N@@H+](C)C(C)(C)C[NH3+] ZINC000020226812 187316069 /nfs/dbraw/zinc/31/60/69/187316069.db2.gz FCZJQUFEPMMJIW-UHFFFAOYSA-N 2 1 206.333 2.164 10 0 BEAEMP Cc1ccccc1C[N@H+](C)C(C)(C)C[NH3+] ZINC000020226812 187316070 /nfs/dbraw/zinc/31/60/70/187316070.db2.gz FCZJQUFEPMMJIW-UHFFFAOYSA-N 2 1 206.333 2.164 10 0 BEAEMP Cc1cccc(C[N@@H+](CC[NH3+])CC(C)C)c1 ZINC000032013795 179072466 /nfs/dbraw/zinc/07/24/66/179072466.db2.gz WJVBBFUGZCNVNT-UHFFFAOYSA-N 2 1 220.360 2.412 10 0 BEAEMP Cc1cccc(C[N@H+](CC[NH3+])CC(C)C)c1 ZINC000032013795 179072469 /nfs/dbraw/zinc/07/24/69/179072469.db2.gz WJVBBFUGZCNVNT-UHFFFAOYSA-N 2 1 220.360 2.412 10 0 BEAEMP Cc1cccc(C[N@H+](C)C[C@H](C)C[NH3+])c1 ZINC000042435683 179065049 /nfs/dbraw/zinc/06/50/49/179065049.db2.gz BQCANXPJJFFOHJ-GFCCVEGCSA-N 2 1 206.333 2.022 10 0 BEAEMP CCC(CC)[NH2+][C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000725241907 537980474 /nfs/dbraw/zinc/98/04/74/537980474.db2.gz VTTKHQBNQVMILI-STQMWFEESA-N 2 1 210.365 2.391 10 0 BEAEMP CCC(CC)[NH2+][C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000725241907 537980480 /nfs/dbraw/zinc/98/04/80/537980480.db2.gz VTTKHQBNQVMILI-STQMWFEESA-N 2 1 210.365 2.391 10 0 BEAEMP Cc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH3+])cc1Cl ZINC000669379861 537981828 /nfs/dbraw/zinc/98/18/28/537981828.db2.gz HSCILINCTOPUEV-CMPLNLGQSA-N 2 1 224.735 2.053 10 0 BEAEMP CCC[C@@H]1C[C@H]1[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000378663279 346798427 /nfs/dbraw/zinc/79/84/27/346798427.db2.gz BAOUMAKRZSBJQF-FVCCEPFGSA-N 2 1 210.365 2.247 10 0 BEAEMP CCC[C@@H]1C[C@H]1[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000378663279 346798428 /nfs/dbraw/zinc/79/84/28/346798428.db2.gz BAOUMAKRZSBJQF-FVCCEPFGSA-N 2 1 210.365 2.247 10 0 BEAEMP Cc1[nH+]cn([C@H](C[NH3+])c2cccc(C)c2)c1C ZINC000051925747 179185336 /nfs/dbraw/zinc/18/53/36/179185336.db2.gz KIHCGVINBJQGRN-CQSZACIVSA-N 2 1 229.327 2.356 10 0 BEAEMP Cc1[nH+]ccn1[C@@H](C[NH3+])c1cccc(C)c1 ZINC000042967752 179199869 /nfs/dbraw/zinc/19/98/69/179199869.db2.gz GOPQOQGQAFJWMK-ZDUSSCGKSA-N 2 1 215.300 2.048 10 0 BEAEMP Cc1[nH+]ccn1[C@@H](c1ccccc1C)[C@@H](C)[NH3+] ZINC000043037730 179328235 /nfs/dbraw/zinc/32/82/35/179328235.db2.gz FAKCYUYFGZZVQF-BXUZGUMPSA-N 2 1 229.327 2.437 10 0 BEAEMP Cc1ccccc1[C@H](C)[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000041027775 179335499 /nfs/dbraw/zinc/33/54/99/179335499.db2.gz MXQPEBRPOJXIHA-STQMWFEESA-N 2 1 218.344 2.479 10 0 BEAEMP Cc1ccccc1[C@H](C)[N@H+]1CCC[C@H]([NH3+])C1 ZINC000041027775 179335501 /nfs/dbraw/zinc/33/55/01/179335501.db2.gz MXQPEBRPOJXIHA-STQMWFEESA-N 2 1 218.344 2.479 10 0 BEAEMP Cc1[nH+]ccn1[C@@H](C[NH3+])c1ccccc1C ZINC000043037727 179341963 /nfs/dbraw/zinc/34/19/63/179341963.db2.gz IDBZRGSQORSXPN-ZDUSSCGKSA-N 2 1 215.300 2.048 10 0 BEAEMP Cc1ccc[nH+]c1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000158365954 179395282 /nfs/dbraw/zinc/39/52/82/179395282.db2.gz JPPBQPKXWUUMQF-QWHCGFSZSA-N 2 1 231.343 2.429 10 0 BEAEMP Cc1ccc[nH+]c1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000158365954 179395287 /nfs/dbraw/zinc/39/52/87/179395287.db2.gz JPPBQPKXWUUMQF-QWHCGFSZSA-N 2 1 231.343 2.429 10 0 BEAEMP Cc1ccc[nH+]c1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250983772 179396507 /nfs/dbraw/zinc/39/65/07/179396507.db2.gz JPPBQPKXWUUMQF-OLZOCXBDSA-N 2 1 231.343 2.429 10 0 BEAEMP Cc1ccc[nH+]c1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250983772 179396509 /nfs/dbraw/zinc/39/65/09/179396509.db2.gz JPPBQPKXWUUMQF-OLZOCXBDSA-N 2 1 231.343 2.429 10 0 BEAEMP Cc1ccc[nH+]c1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250983773 179396207 /nfs/dbraw/zinc/39/62/07/179396207.db2.gz JPPBQPKXWUUMQF-STQMWFEESA-N 2 1 231.343 2.429 10 0 BEAEMP Cc1ccc[nH+]c1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250983773 179396210 /nfs/dbraw/zinc/39/62/10/179396210.db2.gz JPPBQPKXWUUMQF-STQMWFEESA-N 2 1 231.343 2.429 10 0 BEAEMP [NH3+]C[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000616574802 349081213 /nfs/dbraw/zinc/08/12/13/349081213.db2.gz YHPAGVSVNBAPRL-RRFJBIMHSA-N 2 1 230.355 2.103 10 0 BEAEMP Cc1cc([C@H]2C[C@H]([NH3+])CC[N@H+]2C)ccc1F ZINC000211555488 538046402 /nfs/dbraw/zinc/04/64/02/538046402.db2.gz LERJWVPZCZSJGP-DGCLKSJQSA-N 2 1 222.307 2.228 10 0 BEAEMP Cc1cc([C@H]2C[C@H]([NH3+])CC[N@@H+]2C)ccc1F ZINC000211555488 538046403 /nfs/dbraw/zinc/04/64/03/538046403.db2.gz LERJWVPZCZSJGP-DGCLKSJQSA-N 2 1 222.307 2.228 10 0 BEAEMP Cc1ncccc1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000128062719 180227678 /nfs/dbraw/zinc/22/76/78/180227678.db2.gz WWMSYRVMYFQVHR-QWHCGFSZSA-N 2 1 231.343 2.429 10 0 BEAEMP Cc1[nH+]ccn1[C@H](c1ccsc1)[C@H](C)[NH3+] ZINC000043124119 180270724 /nfs/dbraw/zinc/27/07/24/180270724.db2.gz GNFCWGAHTBUQKH-KWQFWETISA-N 2 1 221.329 2.190 10 0 BEAEMP C[C@@H]1CCCC[N@H+]1[C@@H]1CCC[C@@H](C[NH3+])C1 ZINC000252156715 538083956 /nfs/dbraw/zinc/08/39/56/538083956.db2.gz NKGDPTOUTPIVSK-JHJVBQTASA-N 2 1 210.365 2.378 10 0 BEAEMP Cc1[nH+]cn([C@H]2CCCCC[C@@H]2[NH3+])c1C ZINC000051926504 180288590 /nfs/dbraw/zinc/28/85/90/180288590.db2.gz VXNNSWQIHMITJY-RYUDHWBXSA-N 2 1 207.321 2.332 10 0 BEAEMP Cc1[nH+]cn([C@H]([C@H](C)[NH3+])C(C)(C)C)c1C ZINC000051925569 180289196 /nfs/dbraw/zinc/28/91/96/180289196.db2.gz DVYJMLBASGHKHK-GZMMTYOYSA-N 2 1 209.337 2.434 10 0 BEAEMP Cc1[nH+]cn([C@@H](C)C[NH2+]C(C)(C)C)c1C ZINC000052593785 180289672 /nfs/dbraw/zinc/28/96/72/180289672.db2.gz QJDXAFJQNAVONB-VIFPVBQESA-N 2 1 209.337 2.449 10 0 BEAEMP CC[N@@H+]1CCC[C@@H](c2ccc[nH+]c2N)CC1 ZINC000616609682 350803758 /nfs/dbraw/zinc/80/37/58/350803758.db2.gz GRXDKLMTQWOCRO-LLVKDONJSA-N 2 1 219.332 2.253 10 0 BEAEMP CC[N@H+]1CCC[C@@H](c2ccc[nH+]c2N)CC1 ZINC000616609682 350803761 /nfs/dbraw/zinc/80/37/61/350803761.db2.gz GRXDKLMTQWOCRO-LLVKDONJSA-N 2 1 219.332 2.253 10 0 BEAEMP NCC[N@@H+]1CCC[C@@H]1c1cccc2cccnc21 ZINC000616608496 350804399 /nfs/dbraw/zinc/80/43/99/350804399.db2.gz UHMIXKAVDBSXRD-CQSZACIVSA-N 2 1 241.338 2.330 10 0 BEAEMP CC[C@@H]1[C@@H]2C[NH2+]C[C@H]2C[N@H+]1Cc1ccccc1 ZINC000251784276 350903215 /nfs/dbraw/zinc/90/32/15/350903215.db2.gz WZRSRFWWZLMNQM-RRFJBIMHSA-N 2 1 230.355 2.116 10 0 BEAEMP COc1cccc([C@H]2CCC[N@H+](CC[NH3+])CC2)c1 ZINC000616627574 351095853 /nfs/dbraw/zinc/09/58/53/351095853.db2.gz HREYBTMKITUZNG-ZDUSSCGKSA-N 2 1 248.370 2.223 10 0 BEAEMP COc1cccc([C@H]2CCC[N@@H+](CC[NH3+])CC2)c1 ZINC000616627574 351095855 /nfs/dbraw/zinc/09/58/55/351095855.db2.gz HREYBTMKITUZNG-ZDUSSCGKSA-N 2 1 248.370 2.223 10 0 BEAEMP [NH3+]CC[C@@H]([NH3+])c1c(F)ccc(Cl)c1Cl ZINC000306878493 351271838 /nfs/dbraw/zinc/27/18/38/351271838.db2.gz DBHONYIMUJSQBQ-SSDOTTSWSA-N 2 1 237.105 2.481 10 0 BEAEMP c1ccc(C[N@@H+]2CC[C@@H](NC3=[NH+]CCC3)C2)cc1 ZINC000307040735 351443946 /nfs/dbraw/zinc/44/39/46/351443946.db2.gz MUOCRPACUKCCJN-CQSZACIVSA-N 2 1 243.354 2.043 10 0 BEAEMP c1ccc(C[N@H+]2CC[C@@H](NC3=[NH+]CCC3)C2)cc1 ZINC000307040735 351443950 /nfs/dbraw/zinc/44/39/50/351443950.db2.gz MUOCRPACUKCCJN-CQSZACIVSA-N 2 1 243.354 2.043 10 0 BEAEMP C[C@@H]1/C(=C/C[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000307131363 351495985 /nfs/dbraw/zinc/49/59/85/351495985.db2.gz ZZRZBVFDSSWGIK-CWZJEYLYSA-N 2 1 216.328 2.166 10 0 BEAEMP CC(=[NH2+])N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000307219240 351619028 /nfs/dbraw/zinc/61/90/28/351619028.db2.gz WCCMICPLNIDCQC-SMDDNHRTSA-N 2 1 231.343 2.236 10 0 BEAEMP CC(C)(C)c1cccc([C@H]2CC[NH2+]C[C@H]2[NH3+])c1 ZINC000725269198 538101257 /nfs/dbraw/zinc/10/12/57/538101257.db2.gz FSSDMTMAEKQYBO-ZIAGYGMSSA-N 2 1 232.371 2.388 10 0 BEAEMP CC(C)(C)c1cccc([C@@H]2CC[NH2+]C[C@@H]2[NH3+])c1 ZINC000725269195 538101581 /nfs/dbraw/zinc/10/15/81/538101581.db2.gz FSSDMTMAEKQYBO-KBPBESRZSA-N 2 1 232.371 2.388 10 0 BEAEMP [NH3+]CC[C@H]([NH3+])c1c(Cl)ccc(Cl)c1F ZINC000306791121 353038527 /nfs/dbraw/zinc/03/85/27/353038527.db2.gz ZWYKWUDIKUEFDH-ZETCQYMHSA-N 2 1 237.105 2.481 10 0 BEAEMP C[C@@H]1CC[N@@H+](CC[C@H]([NH3+])c2ccccc2)C1 ZINC000040725283 188292908 /nfs/dbraw/zinc/29/29/08/188292908.db2.gz UCOACPUCKCYKAV-OCCSQVGLSA-N 2 1 218.344 2.418 10 0 BEAEMP CC(C)(C[NH3+])C[N@H+]1CCc2ccccc2C1 ZINC000049816981 188298900 /nfs/dbraw/zinc/29/89/00/188298900.db2.gz KAJKSFIZIFLSTP-UHFFFAOYSA-N 2 1 218.344 2.030 10 0 BEAEMP CCc1[nH+]ccn1-c1c(F)cc(C[NH3+])cc1F ZINC000062719737 188302957 /nfs/dbraw/zinc/30/29/57/188302957.db2.gz FOCACBYCPOSENE-UHFFFAOYSA-N 2 1 237.253 2.172 10 0 BEAEMP Cc1[nH+]ccn1-c1ccc(C[NH3+])c(Cl)c1 ZINC000061846483 188360972 /nfs/dbraw/zinc/36/09/72/188360972.db2.gz QUBXGNHFCAWHAU-UHFFFAOYSA-N 2 1 221.691 2.293 10 0 BEAEMP C[N@@H+](Cc1ccccc1)[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405532266 353796677 /nfs/dbraw/zinc/79/66/77/353796677.db2.gz YMGDCRMGDSALPQ-KGLIPLIRSA-N 2 1 230.355 2.388 10 0 BEAEMP CC[C@@H]1C[N@H+](C/C(C)=C\Cl)CC[C@H]1[NH3+] ZINC000308440364 355578920 /nfs/dbraw/zinc/57/89/20/355578920.db2.gz DXTSYTWHGGURPP-GOLMWGNGSA-N 2 1 216.756 2.188 10 0 BEAEMP CC[C@@H]1C[N@@H+](C/C(C)=C\Cl)CC[C@H]1[NH3+] ZINC000308440364 355578924 /nfs/dbraw/zinc/57/89/24/355578924.db2.gz DXTSYTWHGGURPP-GOLMWGNGSA-N 2 1 216.756 2.188 10 0 BEAEMP Cc1ccc(C)c([C@@H]2C[C@@H]([NH3+])CC[N@@H+]2C)c1 ZINC000083302956 538467056 /nfs/dbraw/zinc/46/70/56/538467056.db2.gz ITKFKCMRZDXVOC-JSGCOSHPSA-N 2 1 218.344 2.397 10 0 BEAEMP CC[N@H+](Cc1csc(C[NH3+])n1)CC(C)C ZINC000052449746 538470533 /nfs/dbraw/zinc/47/05/33/538470533.db2.gz MNMVPPGWQIVKRX-UHFFFAOYSA-N 2 1 227.377 2.080 10 0 BEAEMP CC[N@@H+]1CC[C@@H]([NH3+])C[C@H]1c1cccc(F)c1 ZINC000675055617 538475986 /nfs/dbraw/zinc/47/59/86/538475986.db2.gz VXVXVWJHMVNECP-OLZOCXBDSA-N 2 1 222.307 2.310 10 0 BEAEMP CC[N@H+]1CC[C@@H]([NH3+])C[C@H]1c1cccc(F)c1 ZINC000675055617 538475990 /nfs/dbraw/zinc/47/59/90/538475990.db2.gz VXVXVWJHMVNECP-OLZOCXBDSA-N 2 1 222.307 2.310 10 0 BEAEMP CC[N@@H+]1CC[C@@H]([NH3+])C[C@H]1c1ccc(F)cc1 ZINC000675055731 538476599 /nfs/dbraw/zinc/47/65/99/538476599.db2.gz XCRZSIVFQRADFW-OLZOCXBDSA-N 2 1 222.307 2.310 10 0 BEAEMP CC[N@H+]1CC[C@@H]([NH3+])C[C@H]1c1ccc(F)cc1 ZINC000675055731 538476603 /nfs/dbraw/zinc/47/66/03/538476603.db2.gz XCRZSIVFQRADFW-OLZOCXBDSA-N 2 1 222.307 2.310 10 0 BEAEMP C[C@H]1CCC[N@H+](C2CC3(C2)CC[NH2+]CC3)C1 ZINC000675069466 538498490 /nfs/dbraw/zinc/49/84/90/538498490.db2.gz HLEHDHRPAJPWHG-LBPRGKRZSA-N 2 1 222.376 2.251 10 0 BEAEMP C[C@@H]1C[NH2+]C[C@H](C)[C@H]1[N@H+]1CCCC[C@@H]1C ZINC000685951049 538894293 /nfs/dbraw/zinc/89/42/93/538894293.db2.gz MIQVNLQGAQUFAL-QNWHQSFQSA-N 2 1 210.365 2.105 10 0 BEAEMP CC[C@@H]1CCC[N@H+]([C@H]2[C@H](C)C[NH2+]C[C@@H]2C)C1 ZINC000685950846 538894298 /nfs/dbraw/zinc/89/42/98/538894298.db2.gz FETHWMACROPDLE-RQJABVFESA-N 2 1 224.392 2.352 10 0 BEAEMP C[C@@H]1C[NH2+]C[C@@H](C)C1[NH+]1CCC2(CC2)CC1 ZINC000685951139 538894382 /nfs/dbraw/zinc/89/43/82/538894382.db2.gz NZTURPUDUVBTBR-VXGBXAGGSA-N 2 1 222.376 2.106 10 0 BEAEMP CC[NH+](CC)CCC[N@@H+]1CCS[C@@H](C)C1 ZINC000191480371 357773314 /nfs/dbraw/zinc/77/33/14/357773314.db2.gz ZRXGKYVPLJTLKK-LBPRGKRZSA-N 2 1 230.421 2.156 10 0 BEAEMP CC[NH+](CC)CCC[N@H+]1CCS[C@@H](C)C1 ZINC000191480371 357773319 /nfs/dbraw/zinc/77/33/19/357773319.db2.gz ZRXGKYVPLJTLKK-LBPRGKRZSA-N 2 1 230.421 2.156 10 0 BEAEMP CC[C@H]1CC[C@H](CC[N@@H+](C)CC)[NH+](C)C1 ZINC000584627575 358297008 /nfs/dbraw/zinc/29/70/08/358297008.db2.gz XWUGWNNMONIIBW-QWHCGFSZSA-N 2 1 212.381 2.449 10 0 BEAEMP CC[C@H]1CC[C@H](CC[NH+](C)CC)[N@H+](C)C1 ZINC000584627575 358297012 /nfs/dbraw/zinc/29/70/12/358297012.db2.gz XWUGWNNMONIIBW-QWHCGFSZSA-N 2 1 212.381 2.449 10 0 BEAEMP CC[C@H]1CC[C@H](CC[NH+](C)CC)[N@@H+](C)C1 ZINC000584627575 358297015 /nfs/dbraw/zinc/29/70/15/358297015.db2.gz XWUGWNNMONIIBW-QWHCGFSZSA-N 2 1 212.381 2.449 10 0 BEAEMP C[C@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)[C@H]1CCCO1 ZINC000052205537 358776465 /nfs/dbraw/zinc/77/64/65/358776465.db2.gz YDIKTWLMHKGHRG-MELADBBJSA-N 2 1 240.391 2.018 10 0 BEAEMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1CCCSC1 ZINC000134804691 358807185 /nfs/dbraw/zinc/80/71/85/358807185.db2.gz YEVMKMRHNNRAJC-VXGBXAGGSA-N 2 1 230.421 2.202 10 0 BEAEMP [NH3+]C[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000306287050 359518463 /nfs/dbraw/zinc/51/84/63/359518463.db2.gz ZCCZVFYYURWFIW-HUUCEWRRSA-N 2 1 230.355 2.247 10 0 BEAEMP C[N@H+]1CCC[C@@H]2C[NH+](CC(C)(C)C)CC[C@@H]21 ZINC000092043326 360147852 /nfs/dbraw/zinc/14/78/52/360147852.db2.gz NMUUSSWUGRSSTO-OLZOCXBDSA-N 2 1 224.392 2.449 10 0 BEAEMP C[NH+]1CCC[C@@H]2C[N@H+](CC(C)(C)C)CC[C@@H]21 ZINC000092043326 360147857 /nfs/dbraw/zinc/14/78/57/360147857.db2.gz NMUUSSWUGRSSTO-OLZOCXBDSA-N 2 1 224.392 2.449 10 0 BEAEMP C[NH+]1CCC[C@@H]2C[N@@H+](CC(C)(C)C)CC[C@@H]21 ZINC000092043326 360147861 /nfs/dbraw/zinc/14/78/61/360147861.db2.gz NMUUSSWUGRSSTO-OLZOCXBDSA-N 2 1 224.392 2.449 10 0 BEAEMP Cc1cc[nH+]c(N[C@H]2CC[C@@H]([NH3+])CC2)c1 ZINC000238543204 361146412 /nfs/dbraw/zinc/14/64/12/361146412.db2.gz NLOWLXKVHYWZGM-XYPYZODXSA-N 2 1 205.305 2.072 10 0 BEAEMP CO[C@@H]1C[N@@H+](CCC2CCCC2)[C@](C)(C[NH3+])C1 ZINC000630363757 364080672 /nfs/dbraw/zinc/08/06/72/364080672.db2.gz ZIOILAOVMCNSPB-KBPBESRZSA-N 2 1 240.391 2.005 10 0 BEAEMP CO[C@H]1C[N@@H+](CCC2CCCC2)[C@@](C)(C[NH3+])C1 ZINC000630363760 364081309 /nfs/dbraw/zinc/08/13/09/364081309.db2.gz ZIOILAOVMCNSPB-ZIAGYGMSSA-N 2 1 240.391 2.005 10 0 BEAEMP [NH3+]CC1(C[N@H+]2CCCSCC2)CCCCC1 ZINC000051284179 181358708 /nfs/dbraw/zinc/35/87/08/181358708.db2.gz ZKDWMIGKWNDQJA-UHFFFAOYSA-N 2 1 242.432 2.335 10 0 BEAEMP [NH3+]CCCOCCNc1[nH+]ccc2ccccc21 ZINC000630538370 364233666 /nfs/dbraw/zinc/23/36/66/364233666.db2.gz ZSNYAOJXMDHELI-UHFFFAOYSA-N 2 1 245.326 2.012 10 0 BEAEMP [NH3+]CC1([C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000083328854 181361347 /nfs/dbraw/zinc/36/13/47/181361347.db2.gz YOKRXLVIVZAHGM-CQSZACIVSA-N 2 1 230.355 2.390 10 0 BEAEMP FCCC[NH+]1CCC([NH2+]C2CCCC2)CC1 ZINC000137344677 364506289 /nfs/dbraw/zinc/50/62/89/364506289.db2.gz QEZBUXMPPPMSSA-UHFFFAOYSA-N 2 1 228.355 2.343 10 0 BEAEMP [NH3+]CC[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000037712824 181396891 /nfs/dbraw/zinc/39/68/91/181396891.db2.gz MIJDPPCCHGPBCQ-UHFFFAOYSA-N 2 1 224.735 2.134 10 0 BEAEMP CCc1ccc(C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000631837394 369093780 /nfs/dbraw/zinc/09/37/80/369093780.db2.gz RZXVYIYBLMLVIM-WFASDCNBSA-N 2 1 232.371 2.276 10 0 BEAEMP [NH3+][C@@H]1CCCC[C@@H]1[NH+]1Cc2ccccc2C1 ZINC000050910941 181573079 /nfs/dbraw/zinc/57/30/79/181573079.db2.gz NOGOXXJPGYALOO-KGLIPLIRSA-N 2 1 216.328 2.272 10 0 BEAEMP C[C@H]1C[N@@H+](CCCC(C)(C)C)C[C@H]1C[NH3+] ZINC000631837829 372630191 /nfs/dbraw/zinc/63/01/91/372630191.db2.gz FYGCXUVPJRURON-NWDGAFQWSA-N 2 1 212.381 2.339 10 0 BEAEMP CC(C)C[C@H](C)C[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631838932 372633695 /nfs/dbraw/zinc/63/36/95/372633695.db2.gz XFNPIURGBFOAOT-XQQFMLRXSA-N 2 1 212.381 2.195 10 0 BEAEMP Cc1cccc(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000631843881 372640195 /nfs/dbraw/zinc/64/01/95/372640195.db2.gz STYARPQHRUTRHL-JSGCOSHPSA-N 2 1 218.344 2.022 10 0 BEAEMP CC[C@H](C)[C@H]([NH3+])C[NH2+]Cc1ccccc1 ZINC000040409699 373241490 /nfs/dbraw/zinc/24/14/90/373241490.db2.gz PPGAIVBQDXBIEF-WCQYABFASA-N 2 1 206.333 2.150 10 0 BEAEMP C[C@H]1CCC[C@H](CN)[N@@H+]1Cc1ccccc1 ZINC000069721355 373648100 /nfs/dbraw/zinc/64/81/00/373648100.db2.gz AZKQWCPTAGSIIP-GXTWGEPZSA-N 2 1 218.344 2.388 10 0 BEAEMP C[C@H]1CCC[C@H](C[NH3+])[N@@H+]1Cc1ccccc1 ZINC000069721355 373648113 /nfs/dbraw/zinc/64/81/13/373648113.db2.gz AZKQWCPTAGSIIP-GXTWGEPZSA-N 2 1 218.344 2.388 10 0 BEAEMP C[C@H]1CCC[C@H](C[NH3+])[N@H+]1Cc1ccccc1 ZINC000069721355 373648123 /nfs/dbraw/zinc/64/81/23/373648123.db2.gz AZKQWCPTAGSIIP-GXTWGEPZSA-N 2 1 218.344 2.388 10 0 BEAEMP C[C@@H]1CCC[C@@H](CN)[N@@H+]1Cc1ccccc1 ZINC000069721358 373648653 /nfs/dbraw/zinc/64/86/53/373648653.db2.gz AZKQWCPTAGSIIP-OCCSQVGLSA-N 2 1 218.344 2.388 10 0 BEAEMP C[C@@H]1CCC[C@@H](C[NH3+])[N@@H+]1Cc1ccccc1 ZINC000069721358 373648666 /nfs/dbraw/zinc/64/86/66/373648666.db2.gz AZKQWCPTAGSIIP-OCCSQVGLSA-N 2 1 218.344 2.388 10 0 BEAEMP C[C@@H]1CCC[C@@H](C[NH3+])[N@H+]1Cc1ccccc1 ZINC000069721358 373648677 /nfs/dbraw/zinc/64/86/77/373648677.db2.gz AZKQWCPTAGSIIP-OCCSQVGLSA-N 2 1 218.344 2.388 10 0 BEAEMP CCCC[C@H](C[NH3+])[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000042615268 169002596 /nfs/dbraw/zinc/00/25/96/169002596.db2.gz ZTEVQJNQPCHGCV-GXTWGEPZSA-N 2 1 242.407 2.251 10 0 BEAEMP CCCC[C@H](C[NH3+])[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000042615268 169002597 /nfs/dbraw/zinc/00/25/97/169002597.db2.gz ZTEVQJNQPCHGCV-GXTWGEPZSA-N 2 1 242.407 2.251 10 0 BEAEMP CCC[NH2+]C1CC[NH+](CCc2ccco2)CC1 ZINC000042590238 169255412 /nfs/dbraw/zinc/25/54/12/169255412.db2.gz GQAKHRUOGBFUNX-UHFFFAOYSA-N 2 1 236.359 2.286 10 0 BEAEMP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOCC ZINC000054603113 169255782 /nfs/dbraw/zinc/25/57/82/169255782.db2.gz ADPLHAULVQPVGL-AGUYFDCRSA-N 2 1 240.391 2.018 10 0 BEAEMP CCC[NH2+]CCCCC[N@H+]1CCO[C@@H](CC)C1 ZINC000052477295 169256995 /nfs/dbraw/zinc/25/69/95/169256995.db2.gz XCNAEOWFPHCINA-AWEZNQCLSA-N 2 1 242.407 2.267 10 0 BEAEMP CCC[NH2+]CC[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000044381083 169258269 /nfs/dbraw/zinc/25/82/69/169258269.db2.gz XJJYIGYEJPSVBJ-UONOGXRCSA-N 2 1 224.392 2.498 10 0 BEAEMP CCC[NH2+]CC[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000044381083 169258271 /nfs/dbraw/zinc/25/82/71/169258271.db2.gz XJJYIGYEJPSVBJ-UONOGXRCSA-N 2 1 224.392 2.498 10 0 BEAEMP CCC[NH2+][C@H](C)C[N@H+](C)[C@@H](C)CCC ZINC000044472065 169285877 /nfs/dbraw/zinc/28/58/77/169285877.db2.gz DIKVDKGMOOJJQL-NEPJUHHUSA-N 2 1 200.370 2.495 10 0 BEAEMP CCC[NH2+][C@H](C)C[N@@H+](C)[C@@H](C)CCC ZINC000044472065 169285879 /nfs/dbraw/zinc/28/58/79/169285879.db2.gz DIKVDKGMOOJJQL-NEPJUHHUSA-N 2 1 200.370 2.495 10 0 BEAEMP CCC[NH2+]Cc1cc(-n2cc[nH+]c2C)ccn1 ZINC000051491053 169265721 /nfs/dbraw/zinc/26/57/21/169265721.db2.gz DGUDYZYIKOYKGS-UHFFFAOYSA-N 2 1 230.315 2.075 10 0 BEAEMP c1ccc(C[N@H+]2CCC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000076677789 183397974 /nfs/dbraw/zinc/39/79/74/183397974.db2.gz BUXOLSLXVAQEEE-HUUCEWRRSA-N 2 1 230.355 2.261 10 0 BEAEMP c1ccc(C[N@@H+]2CCC[NH2+]CC23CC3)cc1 ZINC000097758391 183398813 /nfs/dbraw/zinc/39/88/13/183398813.db2.gz OBTVORUNECWQDF-UHFFFAOYSA-N 2 1 216.328 2.015 10 0 BEAEMP c1ccc(C[N@H+]2CCC[NH2+]CC23CC3)cc1 ZINC000097758391 183398815 /nfs/dbraw/zinc/39/88/15/183398815.db2.gz OBTVORUNECWQDF-UHFFFAOYSA-N 2 1 216.328 2.015 10 0 BEAEMP c1ccc(C[N@@H+]2CCC[C@]3(CCC[NH2+]C3)C2)nc1 ZINC000031994643 183399660 /nfs/dbraw/zinc/39/96/60/183399660.db2.gz OEGGOXAWCOEGIB-HNNXBMFYSA-N 2 1 245.370 2.047 10 0 BEAEMP c1ccc(C[N@H+]2CCC[C@]3(CCC[NH2+]C3)C2)nc1 ZINC000031994643 183399662 /nfs/dbraw/zinc/39/96/62/183399662.db2.gz OEGGOXAWCOEGIB-HNNXBMFYSA-N 2 1 245.370 2.047 10 0 BEAEMP CCC[NH2+][C@@H]1CC[N@H+](C2CCC2)C[C@@H]1C ZINC000052210773 169282139 /nfs/dbraw/zinc/28/21/39/169282139.db2.gz VNMGMFAOWYPYHT-WCQYABFASA-N 2 1 210.365 2.249 10 0 BEAEMP CCCO[C@@H]1CCC[N@@H+](CCCC[NH2+]CC)C1 ZINC000052371475 169311250 /nfs/dbraw/zinc/31/12/50/169311250.db2.gz JAAUCXSKBIQWDP-CQSZACIVSA-N 2 1 242.407 2.267 10 0 BEAEMP CCCO[C@@H]1CCC[N@@H+]([C@H](C[NH3+])CC(C)C)C1 ZINC000042421494 169312465 /nfs/dbraw/zinc/31/24/65/169312465.db2.gz KBTIYLPMRFXVON-UONOGXRCSA-N 2 1 242.407 2.251 10 0 BEAEMP CCCO[C@@H]1CCC[N@H+]([C@H](C[NH3+])CC(C)C)C1 ZINC000042421494 169312467 /nfs/dbraw/zinc/31/24/67/169312467.db2.gz KBTIYLPMRFXVON-UONOGXRCSA-N 2 1 242.407 2.251 10 0 BEAEMP CCC[NH2+][C@H]1CC[N@H+](C2CCOCC2)[C@H](C)C1 ZINC000049711435 169291343 /nfs/dbraw/zinc/29/13/43/169291343.db2.gz YWXVNLIRQVIMCJ-OLZOCXBDSA-N 2 1 240.391 2.018 10 0 BEAEMP CCC[C@@H](C)C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037485301 169359821 /nfs/dbraw/zinc/35/98/21/169359821.db2.gz BXPNRSGGPVBGPE-OLZOCXBDSA-N 2 1 224.392 2.497 10 0 BEAEMP CCC[C@@H](C)C[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000310019156 169360281 /nfs/dbraw/zinc/36/02/81/169360281.db2.gz MJCLAZKNDWXOOD-VXGBXAGGSA-N 2 1 221.348 2.224 10 0 BEAEMP CCC[C@@H](CC)[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000310006146 169380351 /nfs/dbraw/zinc/38/03/51/169380351.db2.gz GRPWMMNFAWEFHW-VXGBXAGGSA-N 2 1 221.348 2.366 10 0 BEAEMP [NH3+][C@@]1(c2ccccc2)CC[C@H]2CCC[N@@H+]2C1 ZINC000091690795 384014933 /nfs/dbraw/zinc/01/49/33/384014933.db2.gz LXQAPKLETBYZPR-KGLIPLIRSA-N 2 1 216.328 2.099 10 0 BEAEMP [NH3+][C@@]1(c2ccccc2)CC[C@H]2CCC[N@H+]2C1 ZINC000091690795 384014940 /nfs/dbraw/zinc/01/49/40/384014940.db2.gz LXQAPKLETBYZPR-KGLIPLIRSA-N 2 1 216.328 2.099 10 0 BEAEMP C[C@H](c1ccco1)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000309454192 384087164 /nfs/dbraw/zinc/08/71/64/384087164.db2.gz RVXJMFUNFUGXRO-NQBHXWOUSA-N 2 1 222.332 2.257 10 0 BEAEMP CC(C)C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)C1CC1 ZINC000090773258 384073508 /nfs/dbraw/zinc/07/35/08/384073508.db2.gz QPXZSNAPUBTUHZ-GXTWGEPZSA-N 2 1 224.392 2.495 10 0 BEAEMP CC(C)C[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)C1CC1 ZINC000090773258 384073513 /nfs/dbraw/zinc/07/35/13/384073513.db2.gz QPXZSNAPUBTUHZ-GXTWGEPZSA-N 2 1 224.392 2.495 10 0 BEAEMP CC[N@H+]1CC[C@@H]([NH2+]CCCCSC)[C@H](C)C1 ZINC000133619051 384255355 /nfs/dbraw/zinc/25/53/55/384255355.db2.gz YGWJQASXJPGHBT-CHWSQXEVSA-N 2 1 244.448 2.450 10 0 BEAEMP CCC(CC)(CC)C[NH2+]C[C@H](C)[NH2+]C ZINC000391342851 384409852 /nfs/dbraw/zinc/40/98/52/384409852.db2.gz SGOSNXFRHYYCPU-NSHDSACASA-N 2 1 200.370 2.400 10 0 BEAEMP CC(C)C1CC([N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)C1 ZINC000309223102 384471208 /nfs/dbraw/zinc/47/12/08/384471208.db2.gz ZBNXPVJVDCXZMF-BLYZHGLHSA-N 2 1 224.392 2.338 10 0 BEAEMP CC(C)CCC[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000309616907 384654024 /nfs/dbraw/zinc/65/40/24/384654024.db2.gz OCPILJYVUOKSNA-GFCCVEGCSA-N 2 1 221.348 2.224 10 0 BEAEMP CC[NH+](CC)[C@H](C)C[NH2+]C1CCSCC1 ZINC000128236080 384938432 /nfs/dbraw/zinc/93/84/32/384938432.db2.gz WMGMNJGBMOMAJK-LLVKDONJSA-N 2 1 230.421 2.202 10 0 BEAEMP CCCC[C@H](C)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000394612767 385418710 /nfs/dbraw/zinc/41/87/10/385418710.db2.gz INEZGAKVRWJXEJ-FRRDWIJNSA-N 2 1 212.381 2.482 10 0 BEAEMP CC(C)C[C@H](C)[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000309524361 385667338 /nfs/dbraw/zinc/66/73/38/385667338.db2.gz AWLLNUWPEWNQJE-RYUDHWBXSA-N 2 1 221.348 2.222 10 0 BEAEMP CC[C@@H](C)C[NH2+]C[C@@H]1CCn2cc[nH+]c2C1 ZINC000309611186 385739310 /nfs/dbraw/zinc/73/93/10/385739310.db2.gz AGLSQLBWXGSCFB-VXGBXAGGSA-N 2 1 221.348 2.081 10 0 BEAEMP CC(C)CC[N@@H+](C[C@]1(C)CC[NH2+]C1)C1CC1 ZINC000112530908 385845379 /nfs/dbraw/zinc/84/53/79/385845379.db2.gz KCPMZTNSVSAICQ-CQSZACIVSA-N 2 1 224.392 2.497 10 0 BEAEMP Cc1ccc(C[N@H+](C)C[C@@]2(C)CC[NH2+]C2)cc1 ZINC000062911010 386532111 /nfs/dbraw/zinc/53/21/11/386532111.db2.gz IQVYDUXUHXYXJD-HNNXBMFYSA-N 2 1 232.371 2.426 10 0 BEAEMP C[C@@]1(C[N@@H+]2CCc3sccc3C2)CC[NH2+]C1 ZINC000062910780 386533613 /nfs/dbraw/zinc/53/36/13/386533613.db2.gz PYIXQRXFJZCXRB-CYBMUJFWSA-N 2 1 236.384 2.106 10 0 BEAEMP C[C@@]1(C[N@H+]2CCc3sccc3C2)CC[NH2+]C1 ZINC000062910780 386533619 /nfs/dbraw/zinc/53/36/19/386533619.db2.gz PYIXQRXFJZCXRB-CYBMUJFWSA-N 2 1 236.384 2.106 10 0 BEAEMP CC[C@@H](C)C[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000336743734 386780262 /nfs/dbraw/zinc/78/02/62/386780262.db2.gz UFJGLBIVKYYHCQ-NEPJUHHUSA-N 2 1 221.348 2.081 10 0 BEAEMP Clc1ccccc1C[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000398362314 386816790 /nfs/dbraw/zinc/81/67/90/386816790.db2.gz NEEPGPNZGFOVSK-SNVBAGLBSA-N 2 1 224.735 2.039 10 0 BEAEMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1CCC(C)(C)C1 ZINC000396694038 387485011 /nfs/dbraw/zinc/48/50/11/387485011.db2.gz IYBFKIZBJQQLPV-SRVKXCTJSA-N 2 1 210.365 2.295 10 0 BEAEMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H](C1CC1)C1CCC1 ZINC000396696115 387485489 /nfs/dbraw/zinc/48/54/89/387485489.db2.gz FATWZOKLUVMXLT-LEWSCRJBSA-N 2 1 222.376 2.295 10 0 BEAEMP C[C@H]([NH2+][C@H]1CCC[NH2+][C@@H]1C)C1CCCC1 ZINC000396646589 387928584 /nfs/dbraw/zinc/92/85/84/387928584.db2.gz CHESCNUPURHXCY-LOWVWBTDSA-N 2 1 210.365 2.295 10 0 BEAEMP CCC[C@@H]1C[C@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000393943845 388447123 /nfs/dbraw/zinc/44/71/23/388447123.db2.gz CKUZDPSZJNLYIS-XJFOESAGSA-N 2 1 222.376 2.391 10 0 BEAEMP CCC[C@@H](C(=O)Nc1ccnc(C)c1)N(C)C ZINC000126039380 388687634 /nfs/dbraw/zinc/68/76/34/388687634.db2.gz XLYYBBFYESSGLP-LBPRGKRZSA-N 2 1 235.331 2.059 10 0 BEAEMP C(=C/c1ccccc1)\C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261568760 533353290 /nfs/dbraw/zinc/35/32/90/533353290.db2.gz JJNPIWZTIPLCKW-KBKYZLAFSA-N 2 1 242.366 2.241 10 0 BEAEMP C(=C/c1ccccc1)\C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261568760 533353295 /nfs/dbraw/zinc/35/32/95/533353295.db2.gz JJNPIWZTIPLCKW-KBKYZLAFSA-N 2 1 242.366 2.241 10 0 BEAEMP CC1(C[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)CCC1 ZINC000261530836 135159398 /nfs/dbraw/zinc/15/93/98/135159398.db2.gz DGQDOQFWEMIUGA-NSHDSACASA-N 2 1 210.365 2.236 10 0 BEAEMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@H]2CCCC(F)(F)C2)C1 ZINC000261538297 135175531 /nfs/dbraw/zinc/17/55/31/135175531.db2.gz XHEVUKUFKDFWSI-SDDRHHMPSA-N 2 1 246.345 2.481 10 0 BEAEMP CC1CCC(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000261540586 135179933 /nfs/dbraw/zinc/17/99/33/135179933.db2.gz AHJDQZHRDXWWPT-CVSAEHQPSA-N 2 1 236.403 2.354 10 0 BEAEMP CC1CCC(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000261540587 135180057 /nfs/dbraw/zinc/18/00/57/135180057.db2.gz AHJDQZHRDXWWPT-NEXFUWMNSA-N 2 1 236.403 2.354 10 0 BEAEMP Cc1ncsc1C[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261588552 135229229 /nfs/dbraw/zinc/22/92/29/135229229.db2.gz SKRATKHDQZSDBJ-LLVKDONJSA-N 2 1 239.388 2.011 10 0 BEAEMP Cc1ncsc1C[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261588552 135229230 /nfs/dbraw/zinc/22/92/30/135229230.db2.gz SKRATKHDQZSDBJ-LLVKDONJSA-N 2 1 239.388 2.011 10 0 BEAEMP Cc1ccc(NC2CCC([NH3+])CC2)[nH+]c1 ZINC000051694063 398057483 /nfs/dbraw/zinc/05/74/83/398057483.db2.gz KGUPPGJJMAALPA-UHFFFAOYSA-N 2 1 205.305 2.072 10 0 BEAEMP CC(C)[NH2+]CC1(C[N@@H+](C)C(C)C)CCOCC1 ZINC000052180880 167099244 /nfs/dbraw/zinc/09/92/44/167099244.db2.gz DUUSFXRPCFBBCO-UHFFFAOYSA-N 2 1 242.407 2.121 10 0 BEAEMP CC(C)[NH2+]CC[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC000377587735 167105498 /nfs/dbraw/zinc/10/54/98/167105498.db2.gz ZDMIEHRGBCBFLX-CYBMUJFWSA-N 2 1 210.365 2.106 10 0 BEAEMP CC(C)[NH2+]CC[N@H+]1CCC[C@@H](C2CC2)C1 ZINC000377587735 167105500 /nfs/dbraw/zinc/10/55/00/167105500.db2.gz ZDMIEHRGBCBFLX-CYBMUJFWSA-N 2 1 210.365 2.106 10 0 BEAEMP CC[N@@H+](CCC[NH3+])Cc1ccc(C)cc1 ZINC000036731800 487568143 /nfs/dbraw/zinc/56/81/43/487568143.db2.gz KVZFSVVKBHMLED-UHFFFAOYSA-N 2 1 206.333 2.166 10 0 BEAEMP CC(C)OCCC[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123670832 167213218 /nfs/dbraw/zinc/21/32/18/167213218.db2.gz FQWFLOFUINGXCW-KGLIPLIRSA-N 2 1 242.407 2.216 10 0 BEAEMP CC(C)OCCC[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123670832 167213220 /nfs/dbraw/zinc/21/32/20/167213220.db2.gz FQWFLOFUINGXCW-KGLIPLIRSA-N 2 1 242.407 2.216 10 0 BEAEMP CC(C)OCCC[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123670832 167213223 /nfs/dbraw/zinc/21/32/23/167213223.db2.gz FQWFLOFUINGXCW-KGLIPLIRSA-N 2 1 242.407 2.216 10 0 BEAEMP CC(C)OCCC[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123670832 167213227 /nfs/dbraw/zinc/21/32/27/167213227.db2.gz FQWFLOFUINGXCW-KGLIPLIRSA-N 2 1 242.407 2.216 10 0 BEAEMP c1ccc2c(c1)cc[nH+]c2NC[C@@H]1CC[NH2+]C1 ZINC000132072147 410583234 /nfs/dbraw/zinc/58/32/34/410583234.db2.gz JNPFIGAUJFUKQD-LLVKDONJSA-N 2 1 227.311 2.256 10 0 BEAEMP C[C@H]([NH3+])[C@H]1CC[N@@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000394486494 410795784 /nfs/dbraw/zinc/79/57/84/410795784.db2.gz HSMDQQVNBRFMAU-SDDRHHMPSA-N 2 1 246.345 2.481 10 0 BEAEMP CC(C)[NH2+]CCCCC[N@H+]1CCCO[C@H](C)C1 ZINC000061935664 167102690 /nfs/dbraw/zinc/10/26/90/167102690.db2.gz KXTHYHAZWSOLGB-CQSZACIVSA-N 2 1 242.407 2.266 10 0 BEAEMP CC[N@@H+]1CC[C@@H]([NH+]2CCCCC2)C[C@@H]1C ZINC000073655778 170011686 /nfs/dbraw/zinc/01/16/86/170011686.db2.gz HACCXFVGOBDVMD-QWHCGFSZSA-N 2 1 210.365 2.345 10 0 BEAEMP CC[N@H+]1CC[C@@H]([NH+]2CCCCC2)C[C@@H]1C ZINC000073655778 170011688 /nfs/dbraw/zinc/01/16/88/170011688.db2.gz HACCXFVGOBDVMD-QWHCGFSZSA-N 2 1 210.365 2.345 10 0 BEAEMP CC[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000037670750 170017313 /nfs/dbraw/zinc/01/73/13/170017313.db2.gz BFXAHLWXJXFGQG-GFCCVEGCSA-N 2 1 219.332 2.144 10 0 BEAEMP CC[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000037670750 170017314 /nfs/dbraw/zinc/01/73/14/170017314.db2.gz BFXAHLWXJXFGQG-GFCCVEGCSA-N 2 1 219.332 2.144 10 0 BEAEMP CC[N@H+]1CC[C@H]([NH+]2CCCCC2)[C@H](C)C1 ZINC000073653865 170019883 /nfs/dbraw/zinc/01/98/83/170019883.db2.gz PPICIUYARLKCGY-OLZOCXBDSA-N 2 1 210.365 2.203 10 0 BEAEMP CC[NH2+]C1[C@@H]2CCC[C@H]1C[N@H+](C(C)C)C2 ZINC000040768934 170109830 /nfs/dbraw/zinc/10/98/30/170109830.db2.gz TXRUHWJHPDSJOW-FUNVUKJBSA-N 2 1 210.365 2.105 10 0 BEAEMP CC[NH2+]C1[C@@H]2CCC[C@H]1C[N@@H+](C(C)C)C2 ZINC000040768934 170109831 /nfs/dbraw/zinc/10/98/31/170109831.db2.gz TXRUHWJHPDSJOW-FUNVUKJBSA-N 2 1 210.365 2.105 10 0 BEAEMP CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(C)C ZINC000054603346 170109950 /nfs/dbraw/zinc/10/99/50/170109950.db2.gz JTPUBAIGJQSJOK-YHWZYXNKSA-N 2 1 210.365 2.247 10 0 BEAEMP CC[NH2+]C1CC[NH+]([C@H](C)Cc2ccco2)CC1 ZINC000042590198 170110065 /nfs/dbraw/zinc/11/00/65/170110065.db2.gz JTJCUNZDCXNYPO-GFCCVEGCSA-N 2 1 236.359 2.285 10 0 BEAEMP CC[NH2+]CCC[C@H](C)[N@@H+](C)Cc1ccncc1 ZINC000052480981 170112287 /nfs/dbraw/zinc/11/22/87/170112287.db2.gz OVNPALFRGOAMNO-ZDUSSCGKSA-N 2 1 235.375 2.292 10 0 BEAEMP CC[NH2+]C[C@@]1(C[N@@H+](C)[C@@H](C)CC)CCCOC1 ZINC000104308984 170121356 /nfs/dbraw/zinc/12/13/56/170121356.db2.gz YHNMUBVRELQJDM-UONOGXRCSA-N 2 1 242.407 2.123 10 0 BEAEMP CC[NH2+][C@@H]1CCCC[C@@H]1n1cc[nH+]c1C ZINC000043993782 170150798 /nfs/dbraw/zinc/15/07/98/170150798.db2.gz JGCYUMOGNFLGAV-NEPJUHHUSA-N 2 1 207.321 2.285 10 0 BEAEMP CC[NH2+][C@@H]1CCC[C@H]1C[N@@H+](CC)[C@@H](C)COC ZINC000053871460 170151174 /nfs/dbraw/zinc/15/11/74/170151174.db2.gz GZCNVJYWNPIWAY-MELADBBJSA-N 2 1 242.407 2.121 10 0 BEAEMP CC[NH2+][C@H]1CCCC[C@H]1[N@H+](CC)CCOCC ZINC000104186841 170165919 /nfs/dbraw/zinc/16/59/19/170165919.db2.gz LHNZEZRVQBDBII-UONOGXRCSA-N 2 1 242.407 2.266 10 0 BEAEMP CC[NH2+][C@H]1CCCC[C@H]1[N@@H+](CC)CCOCC ZINC000104186841 170165920 /nfs/dbraw/zinc/16/59/20/170165920.db2.gz LHNZEZRVQBDBII-UONOGXRCSA-N 2 1 242.407 2.266 10 0 BEAEMP CCOCCC[NH2+]C[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000053486075 170380153 /nfs/dbraw/zinc/38/01/53/170380153.db2.gz UTDICMQVFNESEM-KBPBESRZSA-N 2 1 242.407 2.266 10 0 BEAEMP CCOCCC[NH2+]C[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000053486075 170380155 /nfs/dbraw/zinc/38/01/55/170380155.db2.gz UTDICMQVFNESEM-KBPBESRZSA-N 2 1 242.407 2.266 10 0 BEAEMP CCOCCC[NH2+]C[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000053486071 170380233 /nfs/dbraw/zinc/38/02/33/170380233.db2.gz UTDICMQVFNESEM-UONOGXRCSA-N 2 1 242.407 2.266 10 0 BEAEMP CCOCCC[NH2+]C[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000053486071 170380235 /nfs/dbraw/zinc/38/02/35/170380235.db2.gz UTDICMQVFNESEM-UONOGXRCSA-N 2 1 242.407 2.266 10 0 BEAEMP CC[C@@H]1CC[N@@H+](C[C@@H]2CCCCO2)CCC[NH2+]1 ZINC000042824613 171013054 /nfs/dbraw/zinc/01/30/54/171013054.db2.gz RHJKQGASHJXDBL-KGLIPLIRSA-N 2 1 240.391 2.020 10 0 BEAEMP CC[C@@H]1CC[N@H+]([C@@H](C)C2CC2)CCC[NH2+]1 ZINC000049666149 171013734 /nfs/dbraw/zinc/01/37/34/171013734.db2.gz FCQAEOGNTNKZPD-WCQYABFASA-N 2 1 210.365 2.249 10 0 BEAEMP CC[C@@H]1CC[N@H+]([C@@H]2CC2(C)C)CCC[NH2+]1 ZINC000045136716 171014258 /nfs/dbraw/zinc/01/42/58/171014258.db2.gz XQFGSEPKOYRCAF-VXGBXAGGSA-N 2 1 210.365 2.249 10 0 BEAEMP CC[C@@H]1CC[N@@H+]([C@@H](C)Cc2ccco2)CC[NH2+]1 ZINC000049662347 171014848 /nfs/dbraw/zinc/01/48/48/171014848.db2.gz XFBDVQMNECADII-QWHCGFSZSA-N 2 1 236.359 2.285 10 0 BEAEMP CC[C@@H]1CC[N@H+]([C@@H](C)Cc2ccco2)CC[NH2+]1 ZINC000049662347 171014852 /nfs/dbraw/zinc/01/48/52/171014852.db2.gz XFBDVQMNECADII-QWHCGFSZSA-N 2 1 236.359 2.285 10 0 BEAEMP CC[C@@H]1CO[C@@H](C)C[N@H+]1[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000036128004 171110425 /nfs/dbraw/zinc/11/04/25/171110425.db2.gz FEAZIDNFVDVTPC-REWJHTLYSA-N 2 1 240.391 2.003 10 0 BEAEMP CC[C@@](C)(C[NH2+]C1CC1)C[N@@H+](C)CCCOC ZINC000062035353 171166612 /nfs/dbraw/zinc/16/66/12/171166612.db2.gz WWNXBIZGSCIBHQ-AWEZNQCLSA-N 2 1 242.407 2.123 10 0 BEAEMP CC[C@H](C)[N@@H+](CCOC)[C@@H]1C[C@H](C)CC[C@@H]1[NH3+] ZINC000042581336 171315899 /nfs/dbraw/zinc/31/58/99/171315899.db2.gz FIBZVIGROUGGQK-ZOBORPQBSA-N 2 1 242.407 2.249 10 0 BEAEMP CC[C@H](C)[NH2+]C[C@H](C)[N@H+](C)C[C@@H]1CCCOC1 ZINC000104188391 171341343 /nfs/dbraw/zinc/34/13/43/171341343.db2.gz ZICYQNWMHLOBEN-IHRRRGAJSA-N 2 1 242.407 2.121 10 0 BEAEMP CC[C@H](C)[NH2+]C[C@H](C)[N@@H+](C)C[C@@H]1CCCOC1 ZINC000104188391 171341345 /nfs/dbraw/zinc/34/13/45/171341345.db2.gz ZICYQNWMHLOBEN-IHRRRGAJSA-N 2 1 242.407 2.121 10 0 BEAEMP CC(C)[C@H]([NH3+])CCNc1[nH]c2ccccc2[nH+]1 ZINC000663275921 412405067 /nfs/dbraw/zinc/40/50/67/412405067.db2.gz GXPDVPCBZHZFMC-SNVBAGLBSA-N 2 1 232.331 2.348 10 0 BEAEMP CCc1nc(NCC[C@@H]([NH3+])C(C)C)cc(C)[nH+]1 ZINC000663276276 412406131 /nfs/dbraw/zinc/40/61/31/412406131.db2.gz OZCAWXSTOSWRIA-LLVKDONJSA-N 2 1 236.363 2.133 10 0 BEAEMP CCc1cc(NCC[C@@H]([NH3+])C(C)C)nc(C)[nH+]1 ZINC000663276457 412406491 /nfs/dbraw/zinc/40/64/91/412406491.db2.gz YOHFKIZURRFEJC-GFCCVEGCSA-N 2 1 236.363 2.133 10 0 BEAEMP C[N@H+]1CCCC[C@@H]1COc1ccccc1C[NH3+] ZINC000020352413 173008537 /nfs/dbraw/zinc/00/85/37/173008537.db2.gz RSKIKWUPLONSHA-CYBMUJFWSA-N 2 1 234.343 2.008 10 0 BEAEMP C[N@H+]1CCC[C@@H]2C[NH+](CCC(C)(F)F)CC[C@@H]21 ZINC000336203759 173037413 /nfs/dbraw/zinc/03/74/13/173037413.db2.gz PGPJLFCSSHKVMW-NEPJUHHUSA-N 2 1 246.345 2.448 10 0 BEAEMP C[NH+]1CCC[C@@H]2C[N@H+](CCC(C)(F)F)CC[C@@H]21 ZINC000336203759 173037414 /nfs/dbraw/zinc/03/74/14/173037414.db2.gz PGPJLFCSSHKVMW-NEPJUHHUSA-N 2 1 246.345 2.448 10 0 BEAEMP C[NH+]1CCC[C@@H]2C[N@@H+](CCC(C)(F)F)CC[C@@H]21 ZINC000336203759 173037416 /nfs/dbraw/zinc/03/74/16/173037416.db2.gz PGPJLFCSSHKVMW-NEPJUHHUSA-N 2 1 246.345 2.448 10 0 BEAEMP C[N@H+]1CCC[C@H](CNC(=[NH2+])C2CCCCC2)C1 ZINC000062992136 173042727 /nfs/dbraw/zinc/04/27/27/173042727.db2.gz LKXWBGDXTKDXIW-GFCCVEGCSA-N 2 1 237.391 2.475 10 0 BEAEMP C[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(Cl)s2)C1 ZINC000037484772 173146592 /nfs/dbraw/zinc/14/65/92/173146592.db2.gz PQPSGOKKSTUZJN-SECBINFHSA-N 2 1 244.791 2.443 10 0 BEAEMP C[N@H+]1CC[C@H](C[NH2+]Cc2ccc(Cl)s2)C1 ZINC000037484772 173146593 /nfs/dbraw/zinc/14/65/93/173146593.db2.gz PQPSGOKKSTUZJN-SECBINFHSA-N 2 1 244.791 2.443 10 0 BEAEMP C[N@H+]1CC[C@H](C[NH2+]CC2CCCCC2)C1 ZINC000037484660 173146699 /nfs/dbraw/zinc/14/66/99/173146699.db2.gz YDWKBNMCYXJGRN-CYBMUJFWSA-N 2 1 210.365 2.108 10 0 BEAEMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)c1ccccn1 ZINC000054628128 173324110 /nfs/dbraw/zinc/32/41/10/173324110.db2.gz CXTIOVDEIAMLAK-RLAWYHOSSA-N 2 1 245.370 2.357 10 0 BEAEMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)c1ccccn1 ZINC000054628128 173324112 /nfs/dbraw/zinc/32/41/12/173324112.db2.gz CXTIOVDEIAMLAK-RLAWYHOSSA-N 2 1 245.370 2.357 10 0 BEAEMP C[NH2+]C1CC[NH+]([C@@H](C)c2cccs2)CC1 ZINC000037483667 173324366 /nfs/dbraw/zinc/32/43/66/173324366.db2.gz SBBFJPAASOMJNV-JTQLQIEISA-N 2 1 224.373 2.493 10 0 BEAEMP C[NH2+]CC(C)(C)C[N@@H+]1CCc2sccc2C1 ZINC000051210753 173336030 /nfs/dbraw/zinc/33/60/30/173336030.db2.gz VRKCEDXAUDCCND-UHFFFAOYSA-N 2 1 238.400 2.352 10 0 BEAEMP C[NH2+]CC(C)(C)C[N@H+]1CCc2sccc2C1 ZINC000051210753 173336032 /nfs/dbraw/zinc/33/60/32/173336032.db2.gz VRKCEDXAUDCCND-UHFFFAOYSA-N 2 1 238.400 2.352 10 0 BEAEMP C[NH2+]CC1(C[N@H+]2CCC[C@H](C)C2)CCCC1 ZINC000051210083 173337372 /nfs/dbraw/zinc/33/73/72/173337372.db2.gz RCLDDIRUIVPPNL-ZDUSSCGKSA-N 2 1 224.392 2.498 10 0 BEAEMP C[NH2+]CCC[N@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000042409659 173347308 /nfs/dbraw/zinc/34/73/08/173347308.db2.gz GJJAFUVRHQJJBH-OLZOCXBDSA-N 2 1 210.365 2.251 10 0 BEAEMP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(C)o2)C1 ZINC000040591971 173379273 /nfs/dbraw/zinc/37/92/73/173379273.db2.gz ASVMSXSDLKDALN-GFCCVEGCSA-N 2 1 222.332 2.019 10 0 BEAEMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(C)o2)C1 ZINC000040591971 173379275 /nfs/dbraw/zinc/37/92/75/173379275.db2.gz ASVMSXSDLKDALN-GFCCVEGCSA-N 2 1 222.332 2.019 10 0 BEAEMP C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1C ZINC000052376133 173390725 /nfs/dbraw/zinc/39/07/25/173390725.db2.gz GZXCKNGFJBPCRH-LBPRGKRZSA-N 2 1 218.344 2.390 10 0 BEAEMP C[NH2+]Cc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000052381042 173395653 /nfs/dbraw/zinc/39/56/53/173395653.db2.gz LLYCQUSUYMOPCY-JTQLQIEISA-N 2 1 239.388 2.094 10 0 BEAEMP C[NH2+]Cc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000052381042 173395657 /nfs/dbraw/zinc/39/56/57/173395657.db2.gz LLYCQUSUYMOPCY-JTQLQIEISA-N 2 1 239.388 2.094 10 0 BEAEMP C[NH2+]Cc1oc(Cn2c[nH+]c(C)c2C)cc1C ZINC000052593850 173399395 /nfs/dbraw/zinc/39/93/95/173399395.db2.gz SFYHTUGWFRXXDT-UHFFFAOYSA-N 2 1 233.315 2.169 10 0 BEAEMP COCCC[NH2+]C[C@H](C)[N@@H+]1CC[C@H](C)C[C@H]1C ZINC000053492983 174247278 /nfs/dbraw/zinc/24/72/78/174247278.db2.gz BSPDHXULHMZIIY-MJBXVCDLSA-N 2 1 242.407 2.121 10 0 BEAEMP COCCC[NH2+]C[C@H](C)[N@H+]1CC[C@H](C)C[C@H]1C ZINC000053492983 174247280 /nfs/dbraw/zinc/24/72/80/174247280.db2.gz BSPDHXULHMZIIY-MJBXVCDLSA-N 2 1 242.407 2.121 10 0 BEAEMP COCC[N@H+](C1CC1)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000042518154 174285113 /nfs/dbraw/zinc/28/51/13/174285113.db2.gz FVVDHULZCBUFGZ-UONOGXRCSA-N 2 1 240.391 2.147 10 0 BEAEMP COCC[N@@H+](C1CC1)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000042518154 174285115 /nfs/dbraw/zinc/28/51/15/174285115.db2.gz FVVDHULZCBUFGZ-UONOGXRCSA-N 2 1 240.391 2.147 10 0 BEAEMP COc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](C)C2)cc1 ZINC000037646157 175177035 /nfs/dbraw/zinc/17/70/35/175177035.db2.gz UNDVNAGJIUOELQ-CHWSQXEVSA-N 2 1 248.370 2.298 10 0 BEAEMP COc1cccc(C[N@@H+](C)CCCCC[NH3+])c1 ZINC000049580771 175254396 /nfs/dbraw/zinc/25/43/96/175254396.db2.gz AZRHPUCLUGSRPL-UHFFFAOYSA-N 2 1 236.359 2.256 10 0 BEAEMP COc1cccc(C[N@@H+](CCC[NH3+])C(C)C)c1 ZINC000036731971 175257566 /nfs/dbraw/zinc/25/75/66/175257566.db2.gz MHJUMMIOLBZLRY-UHFFFAOYSA-N 2 1 236.359 2.254 10 0 BEAEMP COc1cccc(C[N@H+]2CCC[NH2+]C[C@@H](C)C2)c1 ZINC000049666963 175258242 /nfs/dbraw/zinc/25/82/42/175258242.db2.gz RQEGLUNJXBPATE-CYBMUJFWSA-N 2 1 248.370 2.127 10 0 BEAEMP COc1ccccc1[C@@H]([C@H](C)[NH3+])n1cc[nH+]c1C ZINC000043098689 175349237 /nfs/dbraw/zinc/34/92/37/175349237.db2.gz BBUVFTPIWHAMQQ-IINYFYTJSA-N 2 1 245.326 2.137 10 0 BEAEMP C[C@@H](CCC[NH2+]C1CC1)[N@@H+](C)C1CCOCC1 ZINC000052481229 175666410 /nfs/dbraw/zinc/66/64/10/175666410.db2.gz NZXXZTRRODWAGO-LBPRGKRZSA-N 2 1 240.391 2.018 10 0 BEAEMP C[C@@H](c1ccsc1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050345219 176035823 /nfs/dbraw/zinc/03/58/23/176035823.db2.gz RLIPSNRALZYCOO-VHSXEESVSA-N 2 1 210.346 2.090 10 0 BEAEMP C[C@@H](c1nccs1)[N@@H+](C)CC1CC[NH2+]CC1 ZINC000086701690 176038881 /nfs/dbraw/zinc/03/88/81/176038881.db2.gz YXWZABUMFGYPHJ-JTQLQIEISA-N 2 1 239.388 2.136 10 0 BEAEMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]C[C@@H]1CCCO1 ZINC000020047780 176071143 /nfs/dbraw/zinc/07/11/43/176071143.db2.gz QQLSGEMUSWULLI-KGLIPLIRSA-N 2 1 240.391 2.020 10 0 BEAEMP C[C@@H]1CCC[N@@H+](CCC[C@@H]2CCC[NH2+]2)C1 ZINC000052764275 176098789 /nfs/dbraw/zinc/09/87/89/176098789.db2.gz JQHMZUZKSVFCHQ-OLZOCXBDSA-N 2 1 210.365 2.251 10 0 BEAEMP C[C@@H]1CCC[C@@H]([N@@H+](C)C[C@]2(C)CC[NH2+]C2)C1 ZINC000062911749 176120270 /nfs/dbraw/zinc/12/02/70/176120270.db2.gz OIVQKZLRNVMPBW-MGPQQGTHSA-N 2 1 224.392 2.497 10 0 BEAEMP C[C@@H]1CCC[C@H]([N@H+]2CC[C@H](C[NH3+])C2)[C@@H]1C ZINC000034689346 176141669 /nfs/dbraw/zinc/14/16/69/176141669.db2.gz SCHRUNVVTQECAO-LPWJVIDDSA-N 2 1 210.365 2.092 10 0 BEAEMP C[C@@H]1CC[N@@H+](CC2(C[NH3+])CCCCC2)C1 ZINC000051249962 176168354 /nfs/dbraw/zinc/16/83/54/176168354.db2.gz DOZWUAMBRFMSNE-GFCCVEGCSA-N 2 1 210.365 2.237 10 0 BEAEMP C[C@@H]1CC[N@@H+](Cc2ccc(C[NH3+])o2)[C@H](C)C1 ZINC000052509985 176173887 /nfs/dbraw/zinc/17/38/87/176173887.db2.gz NQPKOEHWWUUCGV-GHMZBOCLSA-N 2 1 222.332 2.359 10 0 BEAEMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1ccccc1 ZINC000042427360 176224406 /nfs/dbraw/zinc/22/44/06/176224406.db2.gz TYQOEBOKARBTQU-TZMCWYRMSA-N 2 1 218.344 2.246 10 0 BEAEMP C[C@@H]1C[N@H+]([C@@H]2CCOc3ccccc32)CC[C@@H]1[NH3+] ZINC000051987310 176315640 /nfs/dbraw/zinc/31/56/40/176315640.db2.gz CGPKWJIFCNYTEK-KWCYVHTRSA-N 2 1 246.354 2.179 10 0 BEAEMP C[C@@H]1C[NH2+]CC[N@@H+](CCCc2ccccc2)C1 ZINC000049662213 176325346 /nfs/dbraw/zinc/32/53/46/176325346.db2.gz TVIDWWTYUFPIQP-CQSZACIVSA-N 2 1 232.371 2.161 10 0 BEAEMP C[C@@H]1C[C@@H]([NH2+]CCc2ccsc2)CC[N@H+]1C ZINC000122954129 176376898 /nfs/dbraw/zinc/37/68/98/176376898.db2.gz TYJWKBLICMHHOE-YPMHNXCESA-N 2 1 238.400 2.363 10 0 BEAEMP C[C@H](c1ccccc1)[N@@H+]1C[C@H](C[NH3+])OC(C)(C)C1 ZINC000034679643 177040525 /nfs/dbraw/zinc/04/05/25/177040525.db2.gz ZOAMJHJHQLZVFS-OCCSQVGLSA-N 2 1 248.370 2.186 10 0 BEAEMP C[C@H](c1ccccc1)[N@H+]1C[C@H](C[NH3+])OC(C)(C)C1 ZINC000034679643 177040526 /nfs/dbraw/zinc/04/05/26/177040526.db2.gz ZOAMJHJHQLZVFS-OCCSQVGLSA-N 2 1 248.370 2.186 10 0 BEAEMP C[C@H](c1ccco1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000100256826 177048531 /nfs/dbraw/zinc/04/85/31/177048531.db2.gz QIXMJKHXVYDBKK-MNOVXSKESA-N 2 1 208.305 2.011 10 0 BEAEMP C[C@H]1CCCC[N@H+]1CCC[NH2+]C[C@@H]1CCCO1 ZINC000020047783 177074866 /nfs/dbraw/zinc/07/48/66/177074866.db2.gz QQLSGEMUSWULLI-KBPBESRZSA-N 2 1 240.391 2.020 10 0 BEAEMP C[C@H]1CCCC[C@H]1[N@@H+](C)Cc1cc(C[NH3+])no1 ZINC000052546784 177087149 /nfs/dbraw/zinc/08/71/49/177087149.db2.gz PAPRFCMAHHTBNA-GXFFZTMASA-N 2 1 237.347 2.144 10 0 BEAEMP C[C@@H](C[NH2+]C1CCCC1)[N@@H+]1CCC[C@@H]1C ZINC000053448121 177111877 /nfs/dbraw/zinc/11/18/77/177111877.db2.gz JBUUZNUPAQKEOJ-RYUDHWBXSA-N 2 1 210.365 2.391 10 0 BEAEMP C[C@@H](C[NH2+]C1CCCC1)[N@H+]1CCC[C@@H]1C ZINC000053448121 177111878 /nfs/dbraw/zinc/11/18/78/177111878.db2.gz JBUUZNUPAQKEOJ-RYUDHWBXSA-N 2 1 210.365 2.391 10 0 BEAEMP C[C@@H]1CC[N@H+](CC(C)(C)C)CC[C@H](C)[NH2+]1 ZINC000049667086 177159060 /nfs/dbraw/zinc/15/90/60/177159060.db2.gz DKQMUVPNAURAKK-TXEJJXNPSA-N 2 1 212.381 2.495 10 0 BEAEMP C[C@@H]1C[C@@H](C)CC[N@H+]1Cc1ccc(C[NH3+])o1 ZINC000052509987 177164177 /nfs/dbraw/zinc/16/41/77/177164177.db2.gz NQPKOEHWWUUCGV-WDEREUQCSA-N 2 1 222.332 2.359 10 0 BEAEMP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1cccc(F)c1 ZINC000044412937 177188927 /nfs/dbraw/zinc/18/89/27/177188927.db2.gz XIPMFJXMWYKXRY-AAEUAGOBSA-N 2 1 236.334 2.385 10 0 BEAEMP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1CC1CCCC1 ZINC000042427490 177189889 /nfs/dbraw/zinc/18/98/89/177189889.db2.gz PPPDKNRTKUJMCH-AAEUAGOBSA-N 2 1 210.365 2.236 10 0 BEAEMP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1ccccc1 ZINC000042427361 177200805 /nfs/dbraw/zinc/20/08/05/177200805.db2.gz TYQOEBOKARBTQU-GXTWGEPZSA-N 2 1 218.344 2.246 10 0 BEAEMP C[C@H]1C[N@@H+](C/C=C/c2ccccc2)CC[C@@H]1[NH3+] ZINC000094342203 177241240 /nfs/dbraw/zinc/24/12/40/177241240.db2.gz YMPMBDKWTYYQOB-MNOINKQASA-N 2 1 230.355 2.369 10 0 BEAEMP C[C@@H](c1ccccc1)[N@H+]1CCC[NH2+][C@@H](C)C1 ZINC000062609104 177274067 /nfs/dbraw/zinc/27/40/67/177274067.db2.gz GLJUBZMTNAQDNG-STQMWFEESA-N 2 1 218.344 2.431 10 0 BEAEMP C[C@H]1C[NH2+]CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000049665718 177281900 /nfs/dbraw/zinc/28/19/00/177281900.db2.gz NVQNKLBIYKTEBS-LBPRGKRZSA-N 2 1 236.334 2.257 10 0 BEAEMP C[C@H]1C[NH2+]CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000049665718 177281901 /nfs/dbraw/zinc/28/19/01/177281901.db2.gz NVQNKLBIYKTEBS-LBPRGKRZSA-N 2 1 236.334 2.257 10 0 BEAEMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCc1ccsc1 ZINC000049713600 177326456 /nfs/dbraw/zinc/32/64/56/177326456.db2.gz NXYDQHHFOQCQHP-JQWIXIFHSA-N 2 1 224.373 2.102 10 0 BEAEMP CC(C)[C@H](C)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252872423 487836937 /nfs/dbraw/zinc/83/69/37/487836937.db2.gz UEHYAJPLXYWUHC-CYDGBPFRSA-N 2 1 210.365 2.090 10 0 BEAEMP Clc1ccsc1C[NH2+]C[C@H]1CC[NH2+]C1 ZINC000398383688 323185476 /nfs/dbraw/zinc/18/54/76/323185476.db2.gz ICRPJPBLCKTCMV-QMMMGPOBSA-N 2 1 230.764 2.101 10 0 BEAEMP CCC[C@@H](C)C[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000132506765 325222209 /nfs/dbraw/zinc/22/22/09/325222209.db2.gz XXZBUSFFINEQTL-FRRDWIJNSA-N 2 1 210.365 2.106 10 0 BEAEMP C[C@H]1C[N@@H+](CCC(C)(C)C2CC2)C[C@@H]1[NH3+] ZINC000405955621 487496481 /nfs/dbraw/zinc/49/64/81/487496481.db2.gz KGCOENBVLGRLOC-JQWIXIFHSA-N 2 1 210.365 2.092 10 0 BEAEMP C[C@@H]1C[N@@H+](CCC(C)(C)C2CC2)C[C@@H]1[NH3+] ZINC000405955623 487497135 /nfs/dbraw/zinc/49/71/35/487497135.db2.gz KGCOENBVLGRLOC-PWSUYJOCSA-N 2 1 210.365 2.092 10 0 BEAEMP CCOCCC[N@@H+]1CCC[C@@]12CC[C@H](C)[NH2+]C2 ZINC000757125309 582499926 /nfs/dbraw/zinc/49/99/26/582499926.db2.gz DJJZTJPTLJMUDT-KBPBESRZSA-N 2 1 240.391 2.020 10 0 BEAEMP CCOCCC[N@H+]1CCC[C@@]12CC[C@H](C)[NH2+]C2 ZINC000757125309 582499927 /nfs/dbraw/zinc/49/99/27/582499927.db2.gz DJJZTJPTLJMUDT-KBPBESRZSA-N 2 1 240.391 2.020 10 0 BEAEMP CC[C@H](C)[N@H+]1CCC[C@]12CC[C@H](C)[NH2+]C2 ZINC000757130791 582504795 /nfs/dbraw/zinc/50/47/95/582504795.db2.gz NYYNHKFEJDZOOO-RWMBFGLXSA-N 2 1 210.365 2.391 10 0 BEAEMP C[C@H](C1CC1)[N@H+]1CCC[C@]12CCC[NH2+][C@H]2C ZINC000757132971 582509306 /nfs/dbraw/zinc/50/93/06/582509306.db2.gz SHXNQGQFOJWUPZ-DYEKYZERSA-N 2 1 222.376 2.391 10 0 BEAEMP CC(C)[C@@H](C)[N@H+]1CCC[C@]12C[NH2+]C[C@@H](C)C2 ZINC000757135004 582514023 /nfs/dbraw/zinc/51/40/23/582514023.db2.gz XTUUDHBNECBTHM-MJBXVCDLSA-N 2 1 224.392 2.495 10 0 BEAEMP CCC[N@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000238856333 519848176 /nfs/dbraw/zinc/84/81/76/519848176.db2.gz VQBZYKSDBIFFKV-QWHCGFSZSA-N 2 1 210.365 2.251 10 0 BEAEMP C[C@@H]1C[C@@H]([NH3+])C[N@H+](Cc2ccccc2)[C@H]1C ZINC000238854460 525247807 /nfs/dbraw/zinc/24/78/07/525247807.db2.gz NVIRYIHNKWLTFW-MBNYWOFBSA-N 2 1 218.344 2.244 10 0 BEAEMP C[C@@H]1C[C@@H]([NH3+])C[N@@H+](Cc2ccccc2)[C@H]1C ZINC000238854460 525247811 /nfs/dbraw/zinc/24/78/11/525247811.db2.gz NVIRYIHNKWLTFW-MBNYWOFBSA-N 2 1 218.344 2.244 10 0 BEAEMP CC[C@@H]([NH2+]CC(C)(C)[NH3+])c1ccccc1OC ZINC000261560768 535802903 /nfs/dbraw/zinc/80/29/03/535802903.db2.gz UVMOMIZITCLCEH-GFCCVEGCSA-N 2 1 236.359 2.473 10 0 BEAEMP C[C@]1([NH3+])C[NH2+]C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000725262840 538089282 /nfs/dbraw/zinc/08/92/82/538089282.db2.gz YGOWQTOGQJSRMH-QWRGUYRKSA-N 2 1 244.260 2.110 10 0 BEAEMP C[C@@]1([NH3+])C[NH2+]C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000725262764 538089594 /nfs/dbraw/zinc/08/95/94/538089594.db2.gz MGJHRSRVZQLENI-GHMZBOCLSA-N 2 1 244.260 2.110 10 0 BEAEMP C[C@H]1C[NH2+]C[C@]2(CCC[N@H+]2CCC2CC2)C1 ZINC000757128216 582503508 /nfs/dbraw/zinc/50/35/08/582503508.db2.gz JMVFACMNFOHGFJ-OCCSQVGLSA-N 2 1 222.376 2.251 10 0 BEAEMP C[C@@H]1CC[NH2+]C2(CC(C)(C)[NH2+]C(C)(C)C2)O1 ZINC000757139831 582520185 /nfs/dbraw/zinc/52/01/85/582520185.db2.gz IDADXANEXKRXJA-SNVBAGLBSA-N 2 1 226.364 2.022 10 0 BEAEMP C[C@@H]1C[C@H](C)OC2(CC(C)(C)[NH2+]C(C)(C)C2)[NH2+]1 ZINC000757144973 582526706 /nfs/dbraw/zinc/52/67/06/582526706.db2.gz HMTXQMSQAKHVJY-MNOVXSKESA-N 2 1 240.391 2.410 10 0 BEAEMP CC[C@]1(C)CCOC2(CC[NH+](C3CC3)CC2)[NH2+]1 ZINC000757152459 582536831 /nfs/dbraw/zinc/53/68/31/582536831.db2.gz SKQSEEYLHHQKJR-CYBMUJFWSA-N 2 1 238.375 2.120 10 0 BEAEMP C[C@H]1CC[C@@]2(CCC[N@H+]2CCC2CC2)C[NH2+]1 ZINC000757129668 586426607 /nfs/dbraw/zinc/42/66/07/586426607.db2.gz MSXUDPRIDMHTGJ-JSGCOSHPSA-N 2 1 222.376 2.393 10 0 BEAEMP C[C@H](C1CCC1)[N@H+]1CCCC12CC[NH2+]CC2 ZINC000757134947 586427021 /nfs/dbraw/zinc/42/70/21/586427021.db2.gz XMVSXJASBRFZMI-GFCCVEGCSA-N 2 1 222.376 2.393 10 0 BEAEMP C[C@H](C[N@@H+]1CC[C@H]1C[NH3+])C1CCCCC1 ZINC000757146435 586428957 /nfs/dbraw/zinc/42/89/57/586428957.db2.gz QMVSFERFCUOUOF-YPMHNXCESA-N 2 1 210.365 2.236 10 0 BEAEMP C[C@H](C[N@H+]1CC[C@H]1C[NH3+])C1CCCCC1 ZINC000757146435 586428959 /nfs/dbraw/zinc/42/89/59/586428959.db2.gz QMVSFERFCUOUOF-YPMHNXCESA-N 2 1 210.365 2.236 10 0 BEAEMP CC1(c2ccc([C@@H]3CC[C@@H]([NH3+])C[NH2+]3)cc2)CC1 ZINC000757219277 586442379 /nfs/dbraw/zinc/44/23/79/586442379.db2.gz WKFQANWOPLQQNT-KGLIPLIRSA-N 2 1 230.355 2.490 10 0 BEAEMP [NH3+]C[C@@H]1CC[C@@H](c2cscc2C(F)F)C[NH2+]1 ZINC000757232978 586443235 /nfs/dbraw/zinc/44/32/35/586443235.db2.gz JLJLYUZQNZAMPI-SFYZADRCSA-N 2 1 246.326 2.480 10 0 BEAEMP C[C@H]1C[N@@H+](CCCCCCC[NH3+])CCS1 ZINC000123509336 589739708 /nfs/dbraw/zinc/73/97/08/589739708.db2.gz CQSQAISTYJCPID-LBPRGKRZSA-N 2 1 230.421 2.333 10 0 BEAEMP C[NH+](C)CCC[NH2+]Cc1cncc2ccccc21 ZINC000135370507 592010263 /nfs/dbraw/zinc/01/02/63/592010263.db2.gz UTJFFMDJNTUXHM-UHFFFAOYSA-N 2 1 243.354 2.276 10 0 BEAEMP [NH3+]CCCCCC[N@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000043428102 638322629 /nfs/dbraw/zinc/32/26/29/638322629.db2.gz YGCAONZUDUNKKN-ZIAGYGMSSA-N 2 1 240.391 2.149 10 0 BEAEMP Cl/C=C/C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917817 711469193 /nfs/dbraw/zinc/46/91/93/711469193.db2.gz PBJVENMRFVYUCE-NDYVEPOPSA-N 2 1 228.767 2.203 10 0 BEAEMP Cl/C=C/C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917817 711469195 /nfs/dbraw/zinc/46/91/95/711469195.db2.gz PBJVENMRFVYUCE-NDYVEPOPSA-N 2 1 228.767 2.203 10 0 BEAEMP C[NH2+]C1CC[NH+]([C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000044677407 640451874 /nfs/dbraw/zinc/45/18/74/640451874.db2.gz CEFMBDBBIOFTRZ-HUUCEWRRSA-N 2 1 230.355 2.226 10 0 BEAEMP C[NH2+]C[C@H]1CCCCN1c1cc[nH+]cc1Cl ZINC000086839842 644186357 /nfs/dbraw/zinc/18/63/57/644186357.db2.gz GHIARINGBIBDOH-SNVBAGLBSA-N 2 1 239.750 2.313 10 0 BEAEMP Cc1cccc(N(C)CCCCCC[NH3+])[nH+]1 ZINC000710757977 712256583 /nfs/dbraw/zinc/25/65/83/712256583.db2.gz IMWIVLQLBOSIRX-UHFFFAOYSA-N 2 1 221.348 2.345 10 0 BEAEMP C[N@H+](CCC[NH2+]C1CC1)Cc1cccc(F)c1 ZINC000037613615 712679225 /nfs/dbraw/zinc/67/92/25/712679225.db2.gz DSJHXCWGEGYCII-UHFFFAOYSA-N 2 1 236.334 2.400 10 0 BEAEMP C[N@@H+](CCC[NH2+]C1CC1)Cc1cccc(F)c1 ZINC000037613615 712679226 /nfs/dbraw/zinc/67/92/26/712679226.db2.gz DSJHXCWGEGYCII-UHFFFAOYSA-N 2 1 236.334 2.400 10 0 BEAEMP Cc1cnc(C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)c(C)c1 ZINC000724071870 710736869 /nfs/dbraw/zinc/73/68/69/710736869.db2.gz FBPYDDUBKYUGII-KGLIPLIRSA-N 2 1 245.370 2.058 10 0 BEAEMP C[C@@H]1CN(c2cc[nH+]cc2Cl)C[C@H]1CC[NH3+] ZINC000723885754 711543381 /nfs/dbraw/zinc/54/33/81/711543381.db2.gz ARJCFPIBWCUMJY-NXEZZACHSA-N 2 1 239.750 2.156 10 0 BEAEMP CC1CCC(C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC1 ZINC000702078203 712038029 /nfs/dbraw/zinc/03/80/29/712038029.db2.gz XHGIOYJUVANMGZ-PFSRBDOWSA-N 2 1 236.403 2.354 10 0 BEAEMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(c1cc[nH+]cc1Cl)C2 ZINC000709797527 712227450 /nfs/dbraw/zinc/22/74/50/712227450.db2.gz CCODXISYWPCKLA-GUBZILKMSA-N 2 1 237.734 2.051 10 0 BEAEMP CCc1nc(N2CCC([NH3+])(CC)CC2)cc(C)[nH+]1 ZINC000714752636 712497299 /nfs/dbraw/zinc/49/72/99/712497299.db2.gz IONYHHUNZKKFKD-UHFFFAOYSA-N 2 1 248.374 2.055 10 0 BEAEMP C[NH2+]CCN(c1cc[nH+]cc1Cl)C(C)C ZINC000720826328 712868728 /nfs/dbraw/zinc/86/87/28/712868728.db2.gz LWZMHLLZCJXEMU-UHFFFAOYSA-N 2 1 227.739 2.169 10 0 BEAEMP CC(C)[C@H](C)[N@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000720859854 712870825 /nfs/dbraw/zinc/87/08/25/712870825.db2.gz RMBZKCPFGUCQMB-AEJSXWLSSA-N 2 1 238.297 2.100 10 0 BEAEMP CC(C)[C@H](C)[N@@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000720859855 712870994 /nfs/dbraw/zinc/87/09/94/712870994.db2.gz RMBZKCPFGUCQMB-GUBZILKMSA-N 2 1 238.297 2.100 10 0 BEAEMP C[C@H](C[N@H+]1CCC[C@@H]2[NH2+]CC[C@H]21)C(C)(C)C ZINC000720932634 712879932 /nfs/dbraw/zinc/87/99/32/712879932.db2.gz WPTAARIXFWXDNM-FRRDWIJNSA-N 2 1 224.392 2.495 10 0 BEAEMP CC[N@H+]1CC[C@H]([NH3+])[C@]12C[C@H](C)CC[C@H]2C ZINC000685954098 538898473 /nfs/dbraw/zinc/89/84/73/538898473.db2.gz LASOZELEFIPBGQ-FVCCEPFGSA-N 2 1 210.365 2.234 10 0 BEAEMP C[C@H]1C[C@@]2(CC(C)(C)C1)[C@H]([NH3+])CC[N@H+]2C ZINC000685953890 538898533 /nfs/dbraw/zinc/89/85/33/538898533.db2.gz JGJGYTQWQJVRNP-NQBHXWOUSA-N 2 1 210.365 2.234 10 0 BEAEMP C[C@H]1C[C@]2(CC(C)(C)C1)[C@@H]([NH3+])CC[N@H+]2C ZINC000685953884 538898887 /nfs/dbraw/zinc/89/88/87/538898887.db2.gz JGJGYTQWQJVRNP-MDZLAQPJSA-N 2 1 210.365 2.234 10 0 BEAEMP C[C@]1([NH3+])C[NH2+]C[C@@H]1c1ccc(C(F)F)cc1 ZINC000685965356 538912177 /nfs/dbraw/zinc/91/21/77/538912177.db2.gz AYTDJQLWARFBMB-PWSUYJOCSA-N 2 1 226.270 2.028 10 0 BEAEMP CC(C)c1ccc([C@H]2C[NH2+]C[C@@]2(C)[NH3+])cc1 ZINC000685965888 538912677 /nfs/dbraw/zinc/91/26/77/538912677.db2.gz XXUKHTJOCHAUOP-ZIAGYGMSSA-N 2 1 218.344 2.214 10 0 BEAEMP CCC(CC)(C[NH3+])C[N@H+](C)Cc1ccccn1 ZINC000051217432 168323294 /nfs/dbraw/zinc/32/32/94/168323294.db2.gz ZXSNAOFSTGNADN-UHFFFAOYSA-N 2 1 235.375 2.279 10 0 BEAEMP CCC(CC)(C[NH3+])C[N@@H+](C)Cc1ccccn1 ZINC000051217432 168323297 /nfs/dbraw/zinc/32/32/97/168323297.db2.gz ZXSNAOFSTGNADN-UHFFFAOYSA-N 2 1 235.375 2.279 10 0 BEAEMP C[C@@H]1CCC[N@H+]([C@H](CN)c2ccccc2)C1 ZINC000252134463 398186282 /nfs/dbraw/zinc/18/62/82/398186282.db2.gz LHQTWACZUTUCKS-TZMCWYRMSA-N 2 1 218.344 2.418 10 0 BEAEMP Cc1cc(N[C@@]2(C[NH3+])CCC[C@@H](C)C2)nc(C)[nH+]1 ZINC000104303461 178183909 /nfs/dbraw/zinc/18/39/09/178183909.db2.gz WGDAOKKFEVXHHK-YGRLFVJLSA-N 2 1 248.374 2.413 10 0 BEAEMP Cc1cc([C@@H](C)[NH+]2CCC([NH3+])CC2)c(C)o1 ZINC000020521411 178221475 /nfs/dbraw/zinc/22/14/75/178221475.db2.gz UMVACWDYYCYWOB-SNVBAGLBSA-N 2 1 222.332 2.381 10 0 BEAEMP C[C@H](C[C@H](C)[NH3+])Nc1[nH]c2ccccc2[nH+]1 ZINC000320571680 259309327 /nfs/dbraw/zinc/30/93/27/259309327.db2.gz SKWIDEKRINGKPB-DTWKUNHWSA-N 2 1 218.304 2.101 10 0 BEAEMP CC1CCC(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)CC1 ZINC000193606231 539006840 /nfs/dbraw/zinc/00/68/40/539006840.db2.gz VPZVOASPNQSTQN-ZMYVRHLSSA-N 2 1 236.403 2.306 10 0 BEAEMP CC1CCC(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)CC1 ZINC000193606231 539006842 /nfs/dbraw/zinc/00/68/42/539006842.db2.gz VPZVOASPNQSTQN-ZMYVRHLSSA-N 2 1 236.403 2.306 10 0 BEAEMP CC1CCC(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)CC1 ZINC000193606231 539006844 /nfs/dbraw/zinc/00/68/44/539006844.db2.gz VPZVOASPNQSTQN-ZMYVRHLSSA-N 2 1 236.403 2.306 10 0 BEAEMP [NH3+][C@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000020285977 342980809 /nfs/dbraw/zinc/98/08/09/342980809.db2.gz IFQRFSKEHYUZAT-ZNMIVQPWSA-N 2 1 230.355 2.246 10 0 BEAEMP C1C[C@H]2C[C@H]([NH2+][C@@H]3CCCSC3)CC[N@H+]2C1 ZINC000128095592 187233045 /nfs/dbraw/zinc/23/30/45/187233045.db2.gz AXCTWBUTLBZZFT-UPJWGTAASA-N 2 1 240.416 2.098 10 0 BEAEMP C1C[C@@H]2C[C@@H]([NH2+][C@@H]3CCCSC3)CC[N@H+]2C1 ZINC000128095821 187233278 /nfs/dbraw/zinc/23/32/78/187233278.db2.gz AXCTWBUTLBZZFT-YNEHKIRRSA-N 2 1 240.416 2.098 10 0 BEAEMP CCSCC[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000128932698 343176063 /nfs/dbraw/zinc/17/60/63/343176063.db2.gz LZOSMFFUSKZMBJ-LBPRGKRZSA-N 2 1 230.421 2.059 10 0 BEAEMP CC[N@H+](Cc1ccccc1)C[C@@H](C)C(N)=[NH2+] ZINC000036678553 343322047 /nfs/dbraw/zinc/32/20/47/343322047.db2.gz NQBXMWUJWWLQTA-LLVKDONJSA-N 2 1 219.332 2.081 10 0 BEAEMP [NH3+][C@@H]1CCCC[C@@H]1Nc1[nH]c2ccccc2[nH+]1 ZINC000038050681 343367859 /nfs/dbraw/zinc/36/78/59/343367859.db2.gz QOFLSJOPNUNVRI-ZJUUUORDSA-N 2 1 230.315 2.245 10 0 BEAEMP CC(C)=CC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917818 187261034 /nfs/dbraw/zinc/26/10/34/187261034.db2.gz IMASRUAXMPSNBW-KBPBESRZSA-N 2 1 222.376 2.417 10 0 BEAEMP NCC[N@@H+]1CCCCC[C@@H]1c1cccc(CO)c1 ZINC000616624937 343524735 /nfs/dbraw/zinc/52/47/35/343524735.db2.gz SXNFNGDOCIUOGQ-OAHLLOKOSA-N 2 1 248.370 2.055 10 0 BEAEMP NCC[N@H+]1CCCCC[C@@H]1c1cccc(CO)c1 ZINC000616624937 343524739 /nfs/dbraw/zinc/52/47/39/343524739.db2.gz SXNFNGDOCIUOGQ-OAHLLOKOSA-N 2 1 248.370 2.055 10 0 BEAEMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H](C)[C@H]2C[C@H]2C)C1 ZINC000321657776 343503806 /nfs/dbraw/zinc/50/38/06/343503806.db2.gz WHVICIVLOGPDPJ-RFGFWPKPSA-N 2 1 224.392 2.351 10 0 BEAEMP C[C@H]1C[C@]2(CC[N@@H+]1C)NCCc1ccsc12 ZINC000712553348 537792314 /nfs/dbraw/zinc/79/23/14/537792314.db2.gz RCSQXFGBYHOGMZ-GWCFXTLKSA-N 2 1 236.384 2.203 10 0 BEAEMP C[C@H]1C[C@]2(CC[N@H+]1C)NCCc1ccsc12 ZINC000712553348 537792322 /nfs/dbraw/zinc/79/23/22/537792322.db2.gz RCSQXFGBYHOGMZ-GWCFXTLKSA-N 2 1 236.384 2.203 10 0 BEAEMP Cc1[nH+]ccn1[C@H](C[NH3+])c1ccccc1C ZINC000043037725 187267600 /nfs/dbraw/zinc/26/76/00/187267600.db2.gz IDBZRGSQORSXPN-CYBMUJFWSA-N 2 1 215.300 2.048 10 0 BEAEMP CC(C)[N@@H+](C)CCn1ccc2c1CCC[C@H]2[NH3+] ZINC000054133897 187271914 /nfs/dbraw/zinc/27/19/14/187271914.db2.gz RGWAVAJKVUGFGJ-CYBMUJFWSA-N 2 1 235.375 2.164 10 0 BEAEMP CC(C)(C)[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH3+] ZINC000409433575 343829087 /nfs/dbraw/zinc/82/90/87/343829087.db2.gz STCOZWUYKYDOOB-KBPBESRZSA-N 2 1 232.371 2.492 10 0 BEAEMP CC(C)(C)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH3+] ZINC000409433575 343829089 /nfs/dbraw/zinc/82/90/89/343829089.db2.gz STCOZWUYKYDOOB-KBPBESRZSA-N 2 1 232.371 2.492 10 0 BEAEMP CC(C)(C)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH3+] ZINC000409433778 343830528 /nfs/dbraw/zinc/83/05/28/343830528.db2.gz STCOZWUYKYDOOB-ZIAGYGMSSA-N 2 1 232.371 2.492 10 0 BEAEMP CC(C)(C)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH3+] ZINC000409433778 343830530 /nfs/dbraw/zinc/83/05/30/343830530.db2.gz STCOZWUYKYDOOB-ZIAGYGMSSA-N 2 1 232.371 2.492 10 0 BEAEMP Cc1ccc([C@H](C)C[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000215652844 349905764 /nfs/dbraw/zinc/90/57/64/349905764.db2.gz UZXQTQYKDAEPGR-OCCSQVGLSA-N 2 1 218.344 2.050 10 0 BEAEMP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1C[C@H]1CCCCC1(F)F ZINC000385264048 344384815 /nfs/dbraw/zinc/38/48/15/344384815.db2.gz QWCWPILJAMKASF-GMTAPVOTSA-N 2 1 232.318 2.233 10 0 BEAEMP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1C[C@H]1CCCCC1(F)F ZINC000385264048 344384818 /nfs/dbraw/zinc/38/48/18/344384818.db2.gz QWCWPILJAMKASF-GMTAPVOTSA-N 2 1 232.318 2.233 10 0 BEAEMP CC[NH+](CC)[C@@H](C)C[NH2+]CC1(C)CCC1 ZINC000336772926 537851005 /nfs/dbraw/zinc/85/10/05/537851005.db2.gz YFEHKBFVXQYFGL-LBPRGKRZSA-N 2 1 212.381 2.497 10 0 BEAEMP CC(C)C[N@@H+]1CCC[C@@H]1C[NH2+]CC1(C)CC1 ZINC000381280507 345227094 /nfs/dbraw/zinc/22/70/94/345227094.db2.gz YAUAOFQZZNYBDO-CYBMUJFWSA-N 2 1 224.392 2.497 10 0 BEAEMP CC(C)C[N@H+]1CCC[C@@H]1C[NH2+]CC1(C)CC1 ZINC000381280507 345227098 /nfs/dbraw/zinc/22/70/98/345227098.db2.gz YAUAOFQZZNYBDO-CYBMUJFWSA-N 2 1 224.392 2.497 10 0 BEAEMP C[C@H](C[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1)c1ccccc1 ZINC000634998515 345198097 /nfs/dbraw/zinc/19/80/97/345198097.db2.gz GRUJHXNJCMVDAF-IPYPFGDCSA-N 2 1 232.371 2.317 10 0 BEAEMP C[C@@H]1C[N@@H+](C/C=C/c2ccccc2)C[C@@H]1C[NH3+] ZINC000634998232 345198616 /nfs/dbraw/zinc/19/86/16/345198616.db2.gz CITPPGOSINXVLR-JGOVJGDKSA-N 2 1 230.355 2.226 10 0 BEAEMP Cc1[nH+]ccn1[C@@H](c1ccc(C)cc1)[C@H](C)[NH3+] ZINC000042910106 178869788 /nfs/dbraw/zinc/86/97/88/178869788.db2.gz AWEOOOWOGHCQHE-SMDDNHRTSA-N 2 1 229.327 2.437 10 0 BEAEMP Cc1cccc([C@@H](C)C[NH2+][C@@H]2CC[NH2+]C2)c1 ZINC000215652038 345742887 /nfs/dbraw/zinc/74/28/87/345742887.db2.gz MXELIPCCEYLUOI-GXTWGEPZSA-N 2 1 218.344 2.050 10 0 BEAEMP Cc1ccc2c(c1)CCC(C[C@@H]([NH3+])C[NH3+])=C2 ZINC000034482114 345835327 /nfs/dbraw/zinc/83/53/27/345835327.db2.gz ABTFUUJSICETNO-CQSZACIVSA-N 2 1 216.328 2.001 10 0 BEAEMP Cc1cccc(C[N@@H+](C)[C@@H](C)[C@@H](C)[NH3+])c1 ZINC000042435797 179070429 /nfs/dbraw/zinc/07/04/29/179070429.db2.gz WLGSAKAVVYKTJK-NEPJUHHUSA-N 2 1 206.333 2.163 10 0 BEAEMP Cc1cccc(C[N@H+](C)[C@@H](C)[C@@H](C)[NH3+])c1 ZINC000042435797 179070430 /nfs/dbraw/zinc/07/04/30/179070430.db2.gz WLGSAKAVVYKTJK-NEPJUHHUSA-N 2 1 206.333 2.163 10 0 BEAEMP Cc1cccc(C[N@H+]2CC[NH2+]CC[C@@H]2C)c1 ZINC000062609134 179079317 /nfs/dbraw/zinc/07/93/17/179079317.db2.gz YJWFVGCUHPHLIF-ZDUSSCGKSA-N 2 1 218.344 2.179 10 0 BEAEMP Cc1cccc(C[N@@H+]2CC[NH2+]CC[C@@H]2C)c1 ZINC000062609134 179079320 /nfs/dbraw/zinc/07/93/20/179079320.db2.gz YJWFVGCUHPHLIF-ZDUSSCGKSA-N 2 1 218.344 2.179 10 0 BEAEMP Cc1ccc([C@H]2CC[NH2+]C[C@H]2[NH3+])cc1Cl ZINC000669379868 537982386 /nfs/dbraw/zinc/98/23/86/537982386.db2.gz HSCILINCTOPUEV-ZYHUDNBSSA-N 2 1 224.735 2.053 10 0 BEAEMP Cc1cccc(OCC[C@@](C)(C[NH3+])[NH+](C)C)c1 ZINC000019667656 179169203 /nfs/dbraw/zinc/16/92/03/179169203.db2.gz LDQHQVICIPLZSP-AWEZNQCLSA-N 2 1 236.359 2.043 10 0 BEAEMP Cc1cccc([C@H]([C@@H](C)[NH3+])[NH+]2CCCC2)c1 ZINC000042965335 179203552 /nfs/dbraw/zinc/20/35/52/179203552.db2.gz UUKCLRCTMQHDLJ-OCCSQVGLSA-N 2 1 218.344 2.479 10 0 BEAEMP Cc1ccccc1C[N@@H+]1CC[NH2+]C[C@@H](C)C1 ZINC000049662204 179274596 /nfs/dbraw/zinc/27/45/96/179274596.db2.gz MMEMAFLJDQGNDA-GFCCVEGCSA-N 2 1 218.344 2.036 10 0 BEAEMP Cc1ccc[nH+]c1N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000051041254 179395713 /nfs/dbraw/zinc/39/57/13/179395713.db2.gz YJRZSPRQPIJJMF-LBPRGKRZSA-N 2 1 231.343 2.477 10 0 BEAEMP Cc1cc([C@H]2C[C@@H]([NH3+])CC[N@H+]2C)ccc1F ZINC000211555573 538046609 /nfs/dbraw/zinc/04/66/09/538046609.db2.gz LERJWVPZCZSJGP-WCQYABFASA-N 2 1 222.307 2.228 10 0 BEAEMP Cc1cc([C@H]2C[C@@H]([NH3+])CC[N@@H+]2C)ccc1F ZINC000211555573 538046612 /nfs/dbraw/zinc/04/66/12/538046612.db2.gz LERJWVPZCZSJGP-WCQYABFASA-N 2 1 222.307 2.228 10 0 BEAEMP CSCCCC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000133590249 191041740 /nfs/dbraw/zinc/04/17/40/191041740.db2.gz QITPSGWTMHPDCZ-NEPJUHHUSA-N 2 1 230.421 2.202 10 0 BEAEMP CSCCCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000133589985 191041881 /nfs/dbraw/zinc/04/18/81/191041881.db2.gz QITPSGWTMHPDCZ-NWDGAFQWSA-N 2 1 230.421 2.202 10 0 BEAEMP Cc1[nH+]ccn1[C@@H]1CCCCC[C@@H]1C[NH3+] ZINC000037159988 180272223 /nfs/dbraw/zinc/27/22/23/180272223.db2.gz RTCJNKCWBUVEJM-VXGBXAGGSA-N 2 1 207.321 2.272 10 0 BEAEMP Cc1[nH+]cn([C@H]2CCCC[C@@H]2C[NH3+])c1C ZINC000051926064 180288784 /nfs/dbraw/zinc/28/87/84/180288784.db2.gz HSRPIGQHXDWNRT-NEPJUHHUSA-N 2 1 207.321 2.190 10 0 BEAEMP Cc1[nH+]cn([C@H](c2ccsc2)[C@@H](C)[NH3+])c1C ZINC000051925924 180288852 /nfs/dbraw/zinc/28/88/52/180288852.db2.gz NFQIHXUGFQNRAE-PELKAZGASA-N 2 1 235.356 2.498 10 0 BEAEMP Cc1[nH+]cn([C@H](c2ccco2)[C@H](C)[NH3+])c1C ZINC000051925858 180289531 /nfs/dbraw/zinc/28/95/31/180289531.db2.gz WDUPEBQEOUGWGX-UFBFGSQYSA-N 2 1 219.288 2.030 10 0 BEAEMP Cc1[nH+]cn([C@H](C)C[NH2+]C(C)(C)C)c1C ZINC000052593788 180289726 /nfs/dbraw/zinc/28/97/26/180289726.db2.gz QJDXAFJQNAVONB-SECBINFHSA-N 2 1 209.337 2.449 10 0 BEAEMP Cc1ccc2c(c1)CCC(C[C@H]([NH3+])C[NH3+])=C2 ZINC000034482113 350469480 /nfs/dbraw/zinc/46/94/80/350469480.db2.gz ABTFUUJSICETNO-AWEZNQCLSA-N 2 1 216.328 2.001 10 0 BEAEMP C[C@@H]([NH3+])C(C)(C)Nc1cc[nH+]cc1Cl ZINC000128980931 350952180 /nfs/dbraw/zinc/95/21/80/350952180.db2.gz ANAZOYLXNZMCAW-SSDOTTSWSA-N 2 1 213.712 2.273 10 0 BEAEMP Nc1ccc([C@H]2CCCCC[N@@H+]2CC[NH3+])cc1 ZINC000616624789 351092917 /nfs/dbraw/zinc/09/29/17/351092917.db2.gz RJGXJDPXAQECKR-CQSZACIVSA-N 2 1 233.359 2.145 10 0 BEAEMP Nc1ccc([C@H]2CCCCC[N@H+]2CC[NH3+])cc1 ZINC000616624789 351092919 /nfs/dbraw/zinc/09/29/19/351092919.db2.gz RJGXJDPXAQECKR-CQSZACIVSA-N 2 1 233.359 2.145 10 0 BEAEMP C[C@H]1C[C@H](C[NH3+])C[N@@H+](Cc2ccccc2)C1 ZINC000306904732 351318484 /nfs/dbraw/zinc/31/84/84/351318484.db2.gz KIEBFFUKRWZHOR-GXTWGEPZSA-N 2 1 218.344 2.103 10 0 BEAEMP C[C@@]1([NH3+])C[NH2+]C[C@H]1c1cccc(CC2CCC2)c1 ZINC000725268225 538100214 /nfs/dbraw/zinc/10/02/14/538100214.db2.gz PXVMCDZZNAUMHM-JKSUJKDBSA-N 2 1 244.382 2.433 10 0 BEAEMP C/C(=C\Cl)C[N@@H+]1C[C@H](C)[C@](C)(C[NH3+])C1 ZINC000307060271 351457933 /nfs/dbraw/zinc/45/79/33/351457933.db2.gz IZPRHUSWZDKHAP-LTJOXERKSA-N 2 1 216.756 2.046 10 0 BEAEMP CCC[N@@H+](CC)C1CCC2(C[C@@H]2[NH3+])CC1 ZINC000725270168 538102038 /nfs/dbraw/zinc/10/20/38/538102038.db2.gz HXPVUIKRDBKCSP-CPCZMJQVSA-N 2 1 210.365 2.378 10 0 BEAEMP CC(C)=CC[NH+]1CCC([NH2+][C@@H]2C[C@H]2C)CC1 ZINC000052274474 187954600 /nfs/dbraw/zinc/95/46/00/187954600.db2.gz AHTNDRQGIWUOSE-TZMCWYRMSA-N 2 1 222.376 2.415 10 0 BEAEMP C[N@@H+](Cc1cccs1)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000223120503 353138297 /nfs/dbraw/zinc/13/82/97/353138297.db2.gz AMYKHTIYIGHFRH-NXEZZACHSA-N 2 1 210.346 2.060 10 0 BEAEMP Cc1ccc(C)c(C[N@H+](C)C[C@@H](C)C(N)=[NH2+])c1 ZINC000042459832 188293720 /nfs/dbraw/zinc/29/37/20/188293720.db2.gz VFQJDNZRNJMQIT-GFCCVEGCSA-N 2 1 233.359 2.307 10 0 BEAEMP Cc1[nH+]cn(Cc2cccc(C[NH3+])c2)c1C ZINC000051926129 188299529 /nfs/dbraw/zinc/29/95/29/188299529.db2.gz CDWJUXLPUIHSNP-UHFFFAOYSA-N 2 1 215.300 2.007 10 0 BEAEMP C[C@@H]([NH3+])c1ccccc1N(C)[C@H]1CCC[N@@H+](C)C1 ZINC000103954491 188323345 /nfs/dbraw/zinc/32/33/45/188323345.db2.gz ZDOPDCRIMQLOIT-OLZOCXBDSA-N 2 1 247.386 2.237 10 0 BEAEMP CC(C)[N@H+]1CCC[C@H](C[NH3+])[C@H]1c1ccccn1 ZINC000082342728 188312597 /nfs/dbraw/zinc/31/25/97/188312597.db2.gz SVXOQYDTJPYKHI-OCCSQVGLSA-N 2 1 233.359 2.202 10 0 BEAEMP CC(C)[N@@H+](C)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000086573160 538557577 /nfs/dbraw/zinc/55/75/77/538557577.db2.gz ZJJMLUWGTRRCIJ-YHWZYXNKSA-N 2 1 210.365 2.247 10 0 BEAEMP CC[NH2+]CC[C@@H]([NH3+])c1ccccc1OCC ZINC000685946677 538886960 /nfs/dbraw/zinc/88/69/60/538886960.db2.gz DOMMBBIZWWUGGM-GFCCVEGCSA-N 2 1 222.332 2.085 10 0 BEAEMP CCCC[N@@H+](CC)[C@H]1[C@H](C)C[NH2+]C[C@@H]1C ZINC000685950908 538894328 /nfs/dbraw/zinc/89/43/28/538894328.db2.gz HRYQCAYBSJOKAP-ITGUQSILSA-N 2 1 212.381 2.352 10 0 BEAEMP CC[C@H]1CCC[N@H+]([C@H]2[C@H](C)C[NH2+]C[C@@H]2C)C1 ZINC000685950845 538894655 /nfs/dbraw/zinc/89/46/55/538894655.db2.gz FETHWMACROPDLE-RFQIPJPRSA-N 2 1 224.392 2.352 10 0 BEAEMP CC[C@H]1CCCC[N@H+]1[C@H]1[C@H](C)C[NH2+]C[C@@H]1C ZINC000685951681 538895068 /nfs/dbraw/zinc/89/50/68/538895068.db2.gz VNKPZUHMUAAWMQ-RFQIPJPRSA-N 2 1 224.392 2.495 10 0 BEAEMP [NH3+]CC1([NH+]2CCC(F)(F)CC2)CCCCC1 ZINC000584607527 358268033 /nfs/dbraw/zinc/26/80/33/358268033.db2.gz NLXVQRYWUXFGQN-UHFFFAOYSA-N 2 1 232.318 2.379 10 0 BEAEMP CC(=[NH2+])N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000306571227 360457977 /nfs/dbraw/zinc/45/79/77/360457977.db2.gz GVHHBRRVHYGCAV-SWLSCSKDSA-N 2 1 245.370 2.484 10 0 BEAEMP Cc1ccsc1[C@H]1[C@@H](C[NH3+])CC[N@@H+]1C ZINC000069796103 360557496 /nfs/dbraw/zinc/55/74/96/360557496.db2.gz TYFSIFPOEJGSAA-NXEZZACHSA-N 2 1 210.346 2.008 10 0 BEAEMP CCc1ccc([C@@H]2C[C@H]([NH3+])CC[N@H+]2C)cc1 ZINC000074081393 541313279 /nfs/dbraw/zinc/31/32/79/541313279.db2.gz SWQJKRNHSDZRRR-KGLIPLIRSA-N 2 1 218.344 2.343 10 0 BEAEMP CCC(C)(C)CC[N@H+]1C[C@@H](OC)C[C@@]1(C)C[NH3+] ZINC000630357198 364078689 /nfs/dbraw/zinc/07/86/89/364078689.db2.gz COTQNSZZEDMAQW-JSGCOSHPSA-N 2 1 242.407 2.251 10 0 BEAEMP CCc1nc(N2CCCCC[C@@H]([NH3+])C2)cc(C)[nH+]1 ZINC000630549021 364242500 /nfs/dbraw/zinc/24/25/00/364242500.db2.gz HBKGCLHPODMTQZ-GFCCVEGCSA-N 2 1 248.374 2.055 10 0 BEAEMP [NH3+]CC1([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000083328858 181361663 /nfs/dbraw/zinc/36/16/63/181361663.db2.gz MCUXYVYLUVNMKC-AWEZNQCLSA-N 2 1 230.355 2.247 10 0 BEAEMP CC[NH+](CC)[C@H](C)C[NH2+][C@H]1CCCSC1 ZINC000134804733 364414378 /nfs/dbraw/zinc/41/43/78/364414378.db2.gz YEVMKMRHNNRAJC-NEPJUHHUSA-N 2 1 230.421 2.202 10 0 BEAEMP CC(C)n1cc[nH+]c1C1CCC([NH3+])CC1 ZINC000675060411 541463445 /nfs/dbraw/zinc/46/34/45/541463445.db2.gz GKKLQDBIJLOCAE-UHFFFAOYSA-N 2 1 207.321 2.449 10 0 BEAEMP C[C@@H]1C[N@H+]([C@H]2CCC[C@@H](C)C2)C[C@@]1(C)C[NH3+] ZINC000380604537 367252849 /nfs/dbraw/zinc/25/28/49/367252849.db2.gz WEBZJSKHQXDZDV-YIYPIFLZSA-N 2 1 224.392 2.482 10 0 BEAEMP C[C@@H]1[C@H]([NH3+])[C@@H](C)[C@H](C)C[N@@H+]1Cc1ccccc1 ZINC000101417828 368384204 /nfs/dbraw/zinc/38/42/04/368384204.db2.gz MCYADVOUXKSBRH-QVHKTLOISA-N 2 1 232.371 2.490 10 0 BEAEMP C[C@@H]1[C@H]([NH3+])[C@@H](C)[C@H](C)C[N@H+]1Cc1ccccc1 ZINC000101417828 368384209 /nfs/dbraw/zinc/38/42/09/368384209.db2.gz MCYADVOUXKSBRH-QVHKTLOISA-N 2 1 232.371 2.490 10 0 BEAEMP Cc1ccc(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)c(C)c1 ZINC000631837284 369096387 /nfs/dbraw/zinc/09/63/87/369096387.db2.gz QPGYCBVYQTXIHP-ZFWWWQNUSA-N 2 1 232.371 2.330 10 0 BEAEMP C[C@H]1C[N@@H+](CCC(C)(C)C2CC2)C[C@@H]1C[NH3+] ZINC000631838046 369114701 /nfs/dbraw/zinc/11/47/01/369114701.db2.gz YVLYQWMHUAAIBZ-RYUDHWBXSA-N 2 1 224.392 2.339 10 0 BEAEMP C[C@H]1C[N@@H+](CC2CCCCC2)C[C@@H]1C[NH3+] ZINC000631839737 369170164 /nfs/dbraw/zinc/17/01/64/369170164.db2.gz KFMZMSKVSFPESR-AAEUAGOBSA-N 2 1 210.365 2.093 10 0 BEAEMP C[C@H]1C[N@@H+](Cc2ccc3c(c2)CCC3)C[C@@H]1C[NH3+] ZINC000631837294 372627386 /nfs/dbraw/zinc/62/73/86/372627386.db2.gz ADCWMLSDGJHGNN-LRDDRELGSA-N 2 1 244.382 2.202 10 0 BEAEMP C[C@H]1C[N@H+](Cc2sccc2Cl)C[C@@H]1C[NH3+] ZINC000631838241 372631748 /nfs/dbraw/zinc/63/17/48/372631748.db2.gz KXVFGOCPKIAJHS-IUCAKERBSA-N 2 1 244.791 2.428 10 0 BEAEMP C[C@H]1C[N@@H+](Cc2sccc2Cl)C[C@@H]1C[NH3+] ZINC000631838241 372631754 /nfs/dbraw/zinc/63/17/54/372631754.db2.gz KXVFGOCPKIAJHS-IUCAKERBSA-N 2 1 244.791 2.428 10 0 BEAEMP C[C@@H]1C[N@H+](Cc2ccc(Cl)s2)C[C@@H]1C[NH3+] ZINC000631838648 372633725 /nfs/dbraw/zinc/63/37/25/372633725.db2.gz SIDFNTBIXUPLCG-BDAKNGLRSA-N 2 1 244.791 2.428 10 0 BEAEMP C[C@@H]1C[N@@H+](Cc2ccc(Cl)s2)C[C@@H]1C[NH3+] ZINC000631838648 372633733 /nfs/dbraw/zinc/63/37/33/372633733.db2.gz SIDFNTBIXUPLCG-BDAKNGLRSA-N 2 1 244.791 2.428 10 0 BEAEMP COc1ccc(C)cc1C[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631844383 372643003 /nfs/dbraw/zinc/64/30/03/372643003.db2.gz WZUUEYUNOOBRKB-JSGCOSHPSA-N 2 1 248.370 2.030 10 0 BEAEMP CCOCC[N@@H+](CC)[C@@H]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC000104193171 170396789 /nfs/dbraw/zinc/39/67/89/170396789.db2.gz JLFOSFATHGPRPX-MGPQQGTHSA-N 2 1 242.407 2.108 10 0 BEAEMP CCC[N@@H+](CC1CC1)C[C@]1(C)CC[NH2+]C1 ZINC000062911717 169137971 /nfs/dbraw/zinc/13/79/71/169137971.db2.gz VEGUSYSBNVIBSL-CYBMUJFWSA-N 2 1 210.365 2.108 10 0 BEAEMP c1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)co1 ZINC000063048066 183341446 /nfs/dbraw/zinc/34/14/46/183341446.db2.gz AIWAMXFOEQHRGX-KGLIPLIRSA-N 2 1 234.343 2.244 10 0 BEAEMP c1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)co1 ZINC000063048066 183341449 /nfs/dbraw/zinc/34/14/49/183341449.db2.gz AIWAMXFOEQHRGX-KGLIPLIRSA-N 2 1 234.343 2.244 10 0 BEAEMP CCC[NH2+]CC(CC)(CC)C[N@@H+](CC)CCO ZINC000051249552 169257415 /nfs/dbraw/zinc/25/74/15/169257415.db2.gz RZIWFFMHDVBGBF-UHFFFAOYSA-N 2 1 244.423 2.107 10 0 BEAEMP CCC[NH2+]C[C@@H](C(C)C)[NH+]1CCC(OC)CC1 ZINC000052455046 169261263 /nfs/dbraw/zinc/26/12/63/169261263.db2.gz RURCCXCUTAWZOY-AWEZNQCLSA-N 2 1 242.407 2.121 10 0 BEAEMP CCC[NH2+]C[C@@H](C)C[N@H+]1CCC[C@H](OCC)C1 ZINC000052372109 169261561 /nfs/dbraw/zinc/26/15/61/169261561.db2.gz QLHANYTZKIJAAO-KGLIPLIRSA-N 2 1 242.407 2.123 10 0 BEAEMP c1ccc(C[N@H+]2CCCC23CC[NH2+]CC3)cc1 ZINC000082346502 183396351 /nfs/dbraw/zinc/39/63/51/183396351.db2.gz ZAEPPLWURQVYBR-UHFFFAOYSA-N 2 1 230.355 2.405 10 0 BEAEMP CCCO[C@@H]1CCC[N@H+](CC2([NH3+])CCCC2)C1 ZINC000042425518 169310629 /nfs/dbraw/zinc/31/06/29/169310629.db2.gz MGFCOXJZKSVTDT-CYBMUJFWSA-N 2 1 240.391 2.149 10 0 BEAEMP CCCO[C@@H]1CCC[N@@H+](CC2([NH3+])CCCC2)C1 ZINC000042425518 169310631 /nfs/dbraw/zinc/31/06/31/169310631.db2.gz MGFCOXJZKSVTDT-CYBMUJFWSA-N 2 1 240.391 2.149 10 0 BEAEMP CCCO[C@@H]1CCC[N@H+](C(CC)(CC)C[NH3+])C1 ZINC000042421328 169311254 /nfs/dbraw/zinc/31/12/54/169311254.db2.gz NOCCAVWTSVGKHS-CYBMUJFWSA-N 2 1 242.407 2.395 10 0 BEAEMP CCCO[C@H]1CCC[N@H+]([C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000042420634 169312746 /nfs/dbraw/zinc/31/27/46/169312746.db2.gz GBVVFMRPWMGPGV-HZSPNIEDSA-N 2 1 240.391 2.005 10 0 BEAEMP CCC[C@@H](C)[N@@H+](C)CCNCC[NH+](CC)CC ZINC000053384538 169365823 /nfs/dbraw/zinc/36/58/23/169365823.db2.gz DROQKOKJLPEUNA-CQSZACIVSA-N 2 1 243.439 2.038 10 0 BEAEMP CCC[C@@H](CC)[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000310006143 169380212 /nfs/dbraw/zinc/38/02/12/169380212.db2.gz GRPWMMNFAWEFHW-NEPJUHHUSA-N 2 1 221.348 2.366 10 0 BEAEMP C[C@H]1CC[N@H+](C2CCC2)C[C@@H]1n1ccnc1 ZINC000179586165 134322121 /nfs/dbraw/zinc/32/21/21/134322121.db2.gz FZCCVSNSGTYVTE-AAEUAGOBSA-N 2 1 219.332 2.319 10 0 BEAEMP C[C@@H]1[C@@H]([NH3+])CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000068592793 384002102 /nfs/dbraw/zinc/00/21/02/384002102.db2.gz NWKPWPVTPIKZQR-OBJOEFQTSA-N 2 1 218.344 2.244 10 0 BEAEMP C[C@@H]1C[C@H]([NH3+])C[N@H+](Cc2ccccc2)[C@@H]1C ZINC000068593177 384002363 /nfs/dbraw/zinc/00/23/63/384002363.db2.gz NVIRYIHNKWLTFW-BZPMIXESSA-N 2 1 218.344 2.244 10 0 BEAEMP C[C@@H]1C[C@H]([NH3+])C[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000068593177 384002367 /nfs/dbraw/zinc/00/23/67/384002367.db2.gz NVIRYIHNKWLTFW-BZPMIXESSA-N 2 1 218.344 2.244 10 0 BEAEMP [NH3+][C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000074077955 384272569 /nfs/dbraw/zinc/27/25/69/384272569.db2.gz NYAVATPUTHELAJ-SNVBAGLBSA-N 2 1 219.332 2.273 10 0 BEAEMP [NH3+][C@H]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000095077334 384353350 /nfs/dbraw/zinc/35/33/50/384353350.db2.gz AHXUSIGCLDCNNO-LSDHHAIUSA-N 2 1 230.355 2.390 10 0 BEAEMP CC(C)CC[N@@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000123141218 384535963 /nfs/dbraw/zinc/53/59/63/384535963.db2.gz YZCQQDMLKAWQCE-QWHCGFSZSA-N 2 1 212.381 2.447 10 0 BEAEMP CC(C)CC[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123141218 384535967 /nfs/dbraw/zinc/53/59/67/384535967.db2.gz YZCQQDMLKAWQCE-QWHCGFSZSA-N 2 1 212.381 2.447 10 0 BEAEMP CC(C)CC[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123141218 384535971 /nfs/dbraw/zinc/53/59/71/384535971.db2.gz YZCQQDMLKAWQCE-QWHCGFSZSA-N 2 1 212.381 2.447 10 0 BEAEMP CC(C)CC[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000123141218 384535973 /nfs/dbraw/zinc/53/59/73/384535973.db2.gz YZCQQDMLKAWQCE-QWHCGFSZSA-N 2 1 212.381 2.447 10 0 BEAEMP CC(C)CC[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000123141218 384535977 /nfs/dbraw/zinc/53/59/77/384535977.db2.gz YZCQQDMLKAWQCE-QWHCGFSZSA-N 2 1 212.381 2.447 10 0 BEAEMP C[C@@H]1C[C@H]([NH2+]CCc2ccsc2)CC[N@H+]1C ZINC000122953685 384525933 /nfs/dbraw/zinc/52/59/33/384525933.db2.gz TYJWKBLICMHHOE-DGCLKSJQSA-N 2 1 238.400 2.363 10 0 BEAEMP CCC[C@H](C)C[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000310019155 384786120 /nfs/dbraw/zinc/78/61/20/384786120.db2.gz MJCLAZKNDWXOOD-RYUDHWBXSA-N 2 1 221.348 2.224 10 0 BEAEMP c1c2ccccc2oc1C[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000398290149 384891854 /nfs/dbraw/zinc/89/18/54/384891854.db2.gz LCPPTCMDIWYSDN-LLVKDONJSA-N 2 1 230.311 2.132 10 0 BEAEMP Fc1c(Cl)cccc1C[NH2+]C[C@H]1CC[NH2+]C1 ZINC000398343758 385199104 /nfs/dbraw/zinc/19/91/04/385199104.db2.gz HZPAEURVHXLYNX-VIFPVBQESA-N 2 1 242.725 2.178 10 0 BEAEMP CC1([NH3+])CCN(c2cc[nH+]cc2Cl)CC1 ZINC000643029269 385524314 /nfs/dbraw/zinc/52/43/14/385524314.db2.gz NTNXLVOTRJTOCS-UHFFFAOYSA-N 2 1 225.723 2.053 10 0 BEAEMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCSC2)C1 ZINC000061588943 385742952 /nfs/dbraw/zinc/74/29/52/385742952.db2.gz DEMWUSNSSPWNMW-QWHCGFSZSA-N 2 1 242.432 2.202 10 0 BEAEMP C[NH2+][C@H](C)C[NH2+][C@H]1CCCC[C@H]1C1CC1 ZINC000414964769 385910053 /nfs/dbraw/zinc/91/00/53/385910053.db2.gz CDSCXATVACSGQP-WXHSDQCUSA-N 2 1 210.365 2.153 10 0 BEAEMP CC(C)C[C@@H](C[NH3+])Nc1[nH]c2ccccc2[nH+]1 ZINC000111830344 386252264 /nfs/dbraw/zinc/25/22/64/386252264.db2.gz JLKGMNIPHSMSJX-JTQLQIEISA-N 2 1 232.331 2.348 10 0 BEAEMP C[N@H+](Cc1cccc(F)c1)C[C@@]1(C)CC[NH2+]C1 ZINC000062911021 386532149 /nfs/dbraw/zinc/53/21/49/386532149.db2.gz DHUCZEZBIXYBEX-AWEZNQCLSA-N 2 1 236.334 2.257 10 0 BEAEMP C[N@@H+](Cc1cccc(F)c1)C[C@@]1(C)CC[NH2+]C1 ZINC000062911021 386532156 /nfs/dbraw/zinc/53/21/56/386532156.db2.gz DHUCZEZBIXYBEX-AWEZNQCLSA-N 2 1 236.334 2.257 10 0 BEAEMP CC1CCC([NH2+][C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000396708651 387483120 /nfs/dbraw/zinc/48/31/20/387483120.db2.gz OKANJBCXBRHBHB-PYNQCMFNSA-N 2 1 210.365 2.295 10 0 BEAEMP CC[C@]1([NH3+])CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000575562205 387701494 /nfs/dbraw/zinc/70/14/94/387701494.db2.gz ZHXPTTZXIIJRLF-OCCSQVGLSA-N 2 1 218.344 2.388 10 0 BEAEMP CC[C@]1([NH3+])CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000575562205 387701500 /nfs/dbraw/zinc/70/15/00/387701500.db2.gz ZHXPTTZXIIJRLF-OCCSQVGLSA-N 2 1 218.344 2.388 10 0 BEAEMP [NH3+][C@]1(C2CC2)CCC[N@H+](Cc2ccccc2)C1 ZINC000575561793 387706223 /nfs/dbraw/zinc/70/62/23/387706223.db2.gz VDWGBFUVKDGPCP-OAHLLOKOSA-N 2 1 230.355 2.390 10 0 BEAEMP [NH3+][C@]1(C2CC2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000575561793 387706228 /nfs/dbraw/zinc/70/62/28/387706228.db2.gz VDWGBFUVKDGPCP-OAHLLOKOSA-N 2 1 230.355 2.390 10 0 BEAEMP C[C@@H](c1ccc(F)cc1)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193602509 387856631 /nfs/dbraw/zinc/85/66/31/387856631.db2.gz KGMRKINQQSYSBU-FPMFFAJLSA-N 2 1 248.345 2.380 10 0 BEAEMP C[C@@H](c1ccc(F)cc1)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193602509 387856634 /nfs/dbraw/zinc/85/66/34/387856634.db2.gz KGMRKINQQSYSBU-FPMFFAJLSA-N 2 1 248.345 2.380 10 0 BEAEMP C[C@@H](c1ccc(F)cc1)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193602509 387856638 /nfs/dbraw/zinc/85/66/38/387856638.db2.gz KGMRKINQQSYSBU-FPMFFAJLSA-N 2 1 248.345 2.380 10 0 BEAEMP C[C@@H](c1ccc(F)cc1)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193602509 387856642 /nfs/dbraw/zinc/85/66/42/387856642.db2.gz KGMRKINQQSYSBU-FPMFFAJLSA-N 2 1 248.345 2.380 10 0 BEAEMP CCC[NH+]1CCC([N@@H+](C)C[C@@H](C)COC)CC1 ZINC000124333312 388661959 /nfs/dbraw/zinc/66/19/59/388661959.db2.gz RUCWJQIFOBAATP-CYBMUJFWSA-N 2 1 242.407 2.075 10 0 BEAEMP CC[N@H+]1CC[C@H]([NH+](C)CC2CC2)[C@H](C)C1 ZINC000128678033 388785057 /nfs/dbraw/zinc/78/50/57/388785057.db2.gz XGTLWMFBTMPVOI-YPMHNXCESA-N 2 1 210.365 2.059 10 0 BEAEMP CC[NH+]1CC[C@H]([N@H+](C)CC2CC2)[C@H](C)C1 ZINC000128678033 388785062 /nfs/dbraw/zinc/78/50/62/388785062.db2.gz XGTLWMFBTMPVOI-YPMHNXCESA-N 2 1 210.365 2.059 10 0 BEAEMP CC[NH+]1CC[C@H]([N@@H+](C)CC2CC2)[C@H](C)C1 ZINC000128678033 388785065 /nfs/dbraw/zinc/78/50/65/388785065.db2.gz XGTLWMFBTMPVOI-YPMHNXCESA-N 2 1 210.365 2.059 10 0 BEAEMP CC[NH2+]C[C@@H]1CCCCN1c1cc(C)[nH+]c(C)n1 ZINC000053698050 132363116 /nfs/dbraw/zinc/36/31/16/132363116.db2.gz KIRRHNJVOLFVRQ-ZDUSSCGKSA-N 2 1 248.374 2.062 10 0 BEAEMP [NH3+][C@@H]1CCN(c2ccc([NH+]3CCCCC3)cc2)C1 ZINC000057955969 132367563 /nfs/dbraw/zinc/36/75/63/132367563.db2.gz JXHARFPPZDVSFH-CYBMUJFWSA-N 2 1 245.370 2.214 10 0 BEAEMP Cc1cc(N)ccc1[NH+]1CCC(C[NH+](C)C)CC1 ZINC000058945856 132368510 /nfs/dbraw/zinc/36/85/10/132368510.db2.gz XFNCPMPLVFZGEA-UHFFFAOYSA-N 2 1 247.386 2.355 10 0 BEAEMP Cc1ccc(N2CCC([C@@H]3CCC[NH2+]3)CC2)[nH+]c1 ZINC000063201222 132389220 /nfs/dbraw/zinc/38/92/20/132389220.db2.gz WBFJPEWKEZLHHN-AWEZNQCLSA-N 2 1 245.370 2.358 10 0 BEAEMP CCCC[N@H+]1CC[C@H]([NH2+]C2CC2)[C@@H](C)C1 ZINC000226858740 134370228 /nfs/dbraw/zinc/37/02/28/134370228.db2.gz VFTKUGRNJDBQKJ-AAEUAGOBSA-N 2 1 210.365 2.249 10 0 BEAEMP [NH3+]C[C@@H]1CC[N@@H+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC000261533067 135163969 /nfs/dbraw/zinc/16/39/69/135163969.db2.gz DMMMVAOWGRTAIL-MNOVXSKESA-N 2 1 232.318 2.093 10 0 BEAEMP C[C@]1(C[NH3+])CC[N@@H+](C[C@H]2CCCC(F)(F)C2)C1 ZINC000261538257 135175569 /nfs/dbraw/zinc/17/55/69/135175569.db2.gz UNHYWDSVERHZFX-NWDGAFQWSA-N 2 1 246.345 2.483 10 0 BEAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](C/C=C/c3ccccc3)C[C@@H]12 ZINC000261589263 135230164 /nfs/dbraw/zinc/23/01/64/135230164.db2.gz WEYFXHHMOUYZGT-LXTZQOSWSA-N 2 1 242.366 2.369 10 0 BEAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](C/C=C/c3ccccc3)C[C@H]12 ZINC000261589265 135230468 /nfs/dbraw/zinc/23/04/68/135230468.db2.gz WEYFXHHMOUYZGT-UKWPMUSOSA-N 2 1 242.366 2.369 10 0 BEAEMP C[C@]1(C[N@H+]2CCCC3(CCC3)C2)CC[NH2+]C1 ZINC000262053808 135277227 /nfs/dbraw/zinc/27/72/27/135277227.db2.gz QMMQNKPGITWMGY-ZDUSSCGKSA-N 2 1 222.376 2.252 10 0 BEAEMP c1ccc(C[NH+]2C[C@H]3C[NH+](C4CC4)C[C@@H]3C2)cc1 ZINC000307381770 397996583 /nfs/dbraw/zinc/99/65/83/397996583.db2.gz ZKZHQJHIHJQXOJ-GJZGRUSLSA-N 2 1 242.366 2.213 10 0 BEAEMP CC(C)[NH2+]CC[N@@H+]1CC2(CCC2)C[C@H]1C ZINC000309011348 167105005 /nfs/dbraw/zinc/10/50/05/167105005.db2.gz RZOOMGPJIKLPOO-GFCCVEGCSA-N 2 1 210.365 2.249 10 0 BEAEMP CC(C)[NH2+]CC[N@H+]1CC2(CCC2)C[C@H]1C ZINC000309011348 167105006 /nfs/dbraw/zinc/10/50/06/167105006.db2.gz RZOOMGPJIKLPOO-GFCCVEGCSA-N 2 1 210.365 2.249 10 0 BEAEMP CC(C)[NH2+]C[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000053012540 167114841 /nfs/dbraw/zinc/11/48/41/167114841.db2.gz WGJRLQSDNXREOY-GFCCVEGCSA-N 2 1 210.365 2.249 10 0 BEAEMP CC(C)[NH2+]C[C@H]1CC[C@@H](C[N@H+]2CCC[C@@H]2C)O1 ZINC000052376096 167115607 /nfs/dbraw/zinc/11/56/07/167115607.db2.gz DNIHGOYTCZGHPB-MJBXVCDLSA-N 2 1 240.391 2.016 10 0 BEAEMP CC(C)(CC[NH3+])[NH2+]Cc1cc(F)ccc1F ZINC000258889179 322877865 /nfs/dbraw/zinc/87/78/65/322877865.db2.gz QYELUFLXBAOFSN-UHFFFAOYSA-N 2 1 228.286 2.182 10 0 BEAEMP [NH3+]C[C@@H]1CCC[N@@H+]1C[C@@H]1CCCCC1(F)F ZINC000394538826 410802867 /nfs/dbraw/zinc/80/28/67/410802867.db2.gz WHQBGXOUBSPVNB-QWRGUYRKSA-N 2 1 232.318 2.235 10 0 BEAEMP [NH3+]C[C@@H]1CCC[N@H+]1C[C@@H]1CCCCC1(F)F ZINC000394538826 410802870 /nfs/dbraw/zinc/80/28/70/410802870.db2.gz WHQBGXOUBSPVNB-QWRGUYRKSA-N 2 1 232.318 2.235 10 0 BEAEMP C[C@H](CCc1ccco1)[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000396591932 410889302 /nfs/dbraw/zinc/88/93/02/410889302.db2.gz UBXOCDAEGVRDNI-BZPMIXESSA-N 2 1 236.359 2.331 10 0 BEAEMP CC(C)C[NH2+]CCC[C@H](C)[N@H+]1CCO[C@@H](C)C1 ZINC000052382620 167003523 /nfs/dbraw/zinc/00/35/23/167003523.db2.gz VVKSTHPNDYXGAH-KBPBESRZSA-N 2 1 242.407 2.121 10 0 BEAEMP CC(C)[NH2+]C[C@@H]1CC[N@H+]([C@@H]2CC2(C)C)C1 ZINC000053034384 167113470 /nfs/dbraw/zinc/11/34/70/167113470.db2.gz BBNHGTGWDNNCDL-NWDGAFQWSA-N 2 1 210.365 2.105 10 0 BEAEMP CC(C)[C@@H](C)[NH2+]C[C@@H]1CCn2cc[nH+]c2C1 ZINC000309676652 167382432 /nfs/dbraw/zinc/38/24/32/167382432.db2.gz LXRYRLNODVBXEC-VXGBXAGGSA-N 2 1 221.348 2.080 10 0 BEAEMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CCCC1(C)C ZINC000396724956 411240402 /nfs/dbraw/zinc/24/04/02/411240402.db2.gz VKNPJJZXFFWUFY-SDDRHHMPSA-N 2 1 210.365 2.295 10 0 BEAEMP C[N@H+](Cc1ccsc1)C[C@@]1(C)CC[NH2+]C1 ZINC000062911179 411329463 /nfs/dbraw/zinc/32/94/63/411329463.db2.gz TWWRUJOIBOSNLB-LBPRGKRZSA-N 2 1 224.373 2.180 10 0 BEAEMP C[N@@H+](Cc1ccsc1)C[C@@]1(C)CC[NH2+]C1 ZINC000062911179 411329466 /nfs/dbraw/zinc/32/94/66/411329466.db2.gz TWWRUJOIBOSNLB-LBPRGKRZSA-N 2 1 224.373 2.180 10 0 BEAEMP CC1=CC[N@@H+](CC[C@H]2CCCC[NH2+]2)CC1 ZINC000075423273 168112919 /nfs/dbraw/zinc/11/29/19/168112919.db2.gz VYKULKSOIVGCJA-CYBMUJFWSA-N 2 1 208.349 2.171 10 0 BEAEMP CC1CCC(C[NH2+][C@@H]2CCC[NH2+]C2)CC1 ZINC000063144973 168156130 /nfs/dbraw/zinc/15/61/30/168156130.db2.gz ZXVDLJWNVZEGRN-WXRRBKDZSA-N 2 1 210.365 2.154 10 0 BEAEMP CC1CCC([N@H+]2CCC[NH2+]C[C@@H](C)C2)CC1 ZINC000049665444 168159147 /nfs/dbraw/zinc/15/91/47/168159147.db2.gz YWIXDRFLWVOTHD-ROKHWSDSSA-N 2 1 224.392 2.497 10 0 BEAEMP CCC(C)(C)[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+]C)C2 ZINC000054626534 168287988 /nfs/dbraw/zinc/28/79/88/168287988.db2.gz LNZOOLLBJKYZLY-YOGCLGLASA-N 2 1 210.365 2.390 10 0 BEAEMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccnc2)[C@H](C)C1 ZINC000125744914 170019545 /nfs/dbraw/zinc/01/95/45/170019545.db2.gz AICNSSLIIGHRCQ-HIFRSBDPSA-N 2 1 247.386 2.244 10 0 BEAEMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccnc2)[C@H](C)C1 ZINC000125744914 170019546 /nfs/dbraw/zinc/01/95/46/170019546.db2.gz AICNSSLIIGHRCQ-HIFRSBDPSA-N 2 1 247.386 2.244 10 0 BEAEMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccnc2)[C@H](C)C1 ZINC000125744914 170019547 /nfs/dbraw/zinc/01/95/47/170019547.db2.gz AICNSSLIIGHRCQ-HIFRSBDPSA-N 2 1 247.386 2.244 10 0 BEAEMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccnc2)[C@H](C)C1 ZINC000125744914 170019548 /nfs/dbraw/zinc/01/95/48/170019548.db2.gz AICNSSLIIGHRCQ-HIFRSBDPSA-N 2 1 247.386 2.244 10 0 BEAEMP CC[NH2+]CCCCC[N@@H+](C)CCc1ccncc1 ZINC000052483132 170111457 /nfs/dbraw/zinc/11/14/57/170111457.db2.gz JPSDCHRULVMMEQ-UHFFFAOYSA-N 2 1 249.402 2.336 10 0 BEAEMP CC[NH2+]C[C@@H](C(C)C)[N@@H+](CCOC)[C@H](C)CC ZINC000052547177 170118426 /nfs/dbraw/zinc/11/84/26/170118426.db2.gz FBGPFHXLKLUTLN-KGLIPLIRSA-N 2 1 244.423 2.367 10 0 BEAEMP CC[NH2+]C[C@@H](C)C[N@@H+](C)CC1CCCC1 ZINC000069625400 170119484 /nfs/dbraw/zinc/11/94/84/170119484.db2.gz WJBMXZHIVRNCJQ-GFCCVEGCSA-N 2 1 212.381 2.354 10 0 BEAEMP CC[NH2+]C[C@@H]1CC[N@H+](C2CCC(C)CC2)C1 ZINC000053012855 170119669 /nfs/dbraw/zinc/11/96/69/170119669.db2.gz CFBGFSKZQSAQNH-MOKVOYLWSA-N 2 1 224.392 2.497 10 0 BEAEMP CC[NH2+]C[C@@H]1CC[N@@H+]([C@@H](C)c2ccncc2)C1 ZINC000053031116 170120002 /nfs/dbraw/zinc/12/00/02/170120002.db2.gz CYVPEUUHDKETJK-STQMWFEESA-N 2 1 233.359 2.074 10 0 BEAEMP CC[NH2+]C[C@@H]1CC[N@H+]([C@@H](C)c2ccncc2)C1 ZINC000053031116 170120003 /nfs/dbraw/zinc/12/00/03/170120003.db2.gz CYVPEUUHDKETJK-STQMWFEESA-N 2 1 233.359 2.074 10 0 BEAEMP CC[NH2+]C[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000053012600 170122556 /nfs/dbraw/zinc/12/25/56/170122556.db2.gz IYBUQTNWSLPDKC-GFCCVEGCSA-N 2 1 210.365 2.251 10 0 BEAEMP CC[NH2+]C[C@H]1CC[C@H](C[N@@H+](C)[C@@H](C)C(C)C)O1 ZINC000052478620 170123388 /nfs/dbraw/zinc/12/33/88/170123388.db2.gz DSVNNSLIOALTQQ-BFHYXJOUSA-N 2 1 242.407 2.120 10 0 BEAEMP CC[NH2+]Cc1ccccc1OCC[N@@H+](C)CC ZINC000052446079 170129330 /nfs/dbraw/zinc/12/93/30/170129330.db2.gz SMGHDJSKEJSYNR-UHFFFAOYSA-N 2 1 236.359 2.127 10 0 BEAEMP CC[NH2+][C@@H](C)CCC[N@@H+](C)C[C@@H]1CCCOC1 ZINC000104199707 170139241 /nfs/dbraw/zinc/13/92/41/170139241.db2.gz YKKBNWXUCHXXFS-KBPBESRZSA-N 2 1 242.407 2.123 10 0 BEAEMP CC[NH2+][C@@H]1CCCC[C@H]1n1cc[nH+]c1C ZINC000043993786 170150433 /nfs/dbraw/zinc/15/04/33/170150433.db2.gz JGCYUMOGNFLGAV-VXGBXAGGSA-N 2 1 207.321 2.285 10 0 BEAEMP CC[NH2+][C@@H]1CC[N@H+](CCc2ccccn2)[C@H](C)C1 ZINC000049712393 170151192 /nfs/dbraw/zinc/15/11/92/170151192.db2.gz FYCDNSMGEZLRMY-UKRRQHHQSA-N 2 1 247.386 2.087 10 0 BEAEMP CC[NH2+][C@@H]1CC[N@@H+](CCc2ccccn2)[C@H](C)C1 ZINC000049712393 170151193 /nfs/dbraw/zinc/15/11/93/170151193.db2.gz FYCDNSMGEZLRMY-UKRRQHHQSA-N 2 1 247.386 2.087 10 0 BEAEMP CC[NH2+][C@@H]1CC[N@H+](C2CCCC2)C[C@@H]1C ZINC000049709044 170151337 /nfs/dbraw/zinc/15/13/37/170151337.db2.gz YEKSWNLCIDVODY-WCQYABFASA-N 2 1 210.365 2.249 10 0 BEAEMP CC[NH2+][C@@H]1CC[N@@H+](C2CCC(C)CC2)C1 ZINC000037242065 170151540 /nfs/dbraw/zinc/15/15/40/170151540.db2.gz CWTUYBXOPCSDHW-OTTFEQOBSA-N 2 1 210.365 2.249 10 0 BEAEMP CC[NH2+][C@@H]1CC[N@H+](C2CCC(C)CC2)C1 ZINC000037242065 170151542 /nfs/dbraw/zinc/15/15/42/170151542.db2.gz CWTUYBXOPCSDHW-OTTFEQOBSA-N 2 1 210.365 2.249 10 0 BEAEMP CC[NH2+][C@@H]1CC[N@H+](CCc2ccco2)C[C@@H]1C ZINC000049713503 170151987 /nfs/dbraw/zinc/15/19/87/170151987.db2.gz FXBSLJWWLZNBQP-GXTWGEPZSA-N 2 1 236.359 2.142 10 0 BEAEMP CC[NH2+][C@@H]1CC[N@@H+](CCc2ccco2)C[C@@H]1C ZINC000049713503 170151989 /nfs/dbraw/zinc/15/19/89/170151989.db2.gz FXBSLJWWLZNBQP-GXTWGEPZSA-N 2 1 236.359 2.142 10 0 BEAEMP CCOCC[N@@H+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]C ZINC000104192037 170394300 /nfs/dbraw/zinc/39/43/00/170394300.db2.gz JVOAQMPVTZAWJQ-KBPBESRZSA-N 2 1 242.407 2.123 10 0 BEAEMP CC[C@@H](CC(F)F)C[N@@H+]1CCC[C@H]1C[NH3+] ZINC000662246334 412043782 /nfs/dbraw/zinc/04/37/82/412043782.db2.gz SNBQWSCNHOJCEY-UWVGGRQHSA-N 2 1 220.307 2.091 10 0 BEAEMP CC[C@@H](CC(F)F)C[N@H+]1CCC[C@H]1C[NH3+] ZINC000662246334 412043784 /nfs/dbraw/zinc/04/37/84/412043784.db2.gz SNBQWSCNHOJCEY-UWVGGRQHSA-N 2 1 220.307 2.091 10 0 BEAEMP CC[C@@H]1CC[N@@H+](CCc2ccccn2)CCC[NH2+]1 ZINC000049666534 171011530 /nfs/dbraw/zinc/01/15/30/171011530.db2.gz BPVWRRYFPHIJBW-CQSZACIVSA-N 2 1 247.386 2.088 10 0 BEAEMP CC[C@@H]1CC[N@H+](Cc2ccncc2)CC[C@H](C)[NH2+]1 ZINC000049666605 171012376 /nfs/dbraw/zinc/01/23/76/171012376.db2.gz NCDRDNLIQMVPAM-DZGCQCFKSA-N 2 1 247.386 2.434 10 0 BEAEMP CC[C@@H]1CC[N@@H+](Cc2ccncc2)CC[C@H](C)[NH2+]1 ZINC000049666605 171012378 /nfs/dbraw/zinc/01/23/78/171012378.db2.gz NCDRDNLIQMVPAM-DZGCQCFKSA-N 2 1 247.386 2.434 10 0 BEAEMP CC(C)=CCC[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000662267366 412060622 /nfs/dbraw/zinc/06/06/22/412060622.db2.gz UXTPSJBIZWRZIN-ZDUSSCGKSA-N 2 1 210.365 2.417 10 0 BEAEMP CC[C@@H]1CC[C@@H](C[NH3+])[C@H]([N@@H+](C)CCCOC)C1 ZINC000062029618 171041072 /nfs/dbraw/zinc/04/10/72/171041072.db2.gz SSJQXAJLUJDSAW-HZSPNIEDSA-N 2 1 242.407 2.108 10 0 BEAEMP CC[C@@H]1CO[C@H](C)C[N@H+]1CCC[C@@H]1CCC[NH2+]1 ZINC000052764414 171111939 /nfs/dbraw/zinc/11/19/39/171111939.db2.gz OKSRYDVXAIYHHG-HZSPNIEDSA-N 2 1 240.391 2.018 10 0 BEAEMP CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1ccccc1C[NH3+] ZINC000036128037 171113130 /nfs/dbraw/zinc/11/31/30/171113130.db2.gz VQVFWUADTYGLOM-IUODEOHRSA-N 2 1 248.370 2.145 10 0 BEAEMP CC[C@@](C)(C[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000019478292 171166960 /nfs/dbraw/zinc/16/69/60/171166960.db2.gz CMVOPOILQVDJRX-AWEZNQCLSA-N 2 1 218.344 2.172 10 0 BEAEMP CC[C@@](C)(C[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000019478292 171166962 /nfs/dbraw/zinc/16/69/62/171166962.db2.gz CMVOPOILQVDJRX-AWEZNQCLSA-N 2 1 218.344 2.172 10 0 BEAEMP CC[C@@]1(C[N@H+](C)Cc2ccncc2)CCC[NH2+]C1 ZINC000062862046 171210679 /nfs/dbraw/zinc/21/06/79/171210679.db2.gz JLNXUCPYSPNQEO-OAHLLOKOSA-N 2 1 247.386 2.293 10 0 BEAEMP CC[C@@]1(C[N@@H+](C)Cc2ccncc2)CCC[NH2+]C1 ZINC000062862046 171210680 /nfs/dbraw/zinc/21/06/80/171210680.db2.gz JLNXUCPYSPNQEO-OAHLLOKOSA-N 2 1 247.386 2.293 10 0 BEAEMP CC[C@H](C)[N@@H+](C)Cc1ccc(F)cc1C(N)=[NH2+] ZINC000071267640 171308205 /nfs/dbraw/zinc/30/82/05/171308205.db2.gz PQKVKCDIFKJNHZ-VIFPVBQESA-N 2 1 237.322 2.340 10 0 BEAEMP CC[C@H](C)[N@@H+](CCOC)CC1(C[NH3+])CCCC1 ZINC000051256531 171314749 /nfs/dbraw/zinc/31/47/49/171314749.db2.gz GWFHZIRQLKVAJN-ZDUSSCGKSA-N 2 1 242.407 2.252 10 0 BEAEMP CCc1[nH+]ccn1[C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000042902899 172029644 /nfs/dbraw/zinc/02/96/44/172029644.db2.gz RJHZDVUOYQXAOI-SMDDNHRTSA-N 2 1 229.327 2.382 10 0 BEAEMP CCc1[nH+]ccn1[C@@H](C[NH3+])c1ccccc1F ZINC000043046431 172029713 /nfs/dbraw/zinc/02/97/13/172029713.db2.gz MCEXAJRWZFLWRE-LBPRGKRZSA-N 2 1 233.290 2.133 10 0 BEAEMP CCn1cc[nH+]c1NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000050614138 172228474 /nfs/dbraw/zinc/22/84/74/172228474.db2.gz SFEJGZCLYDDWHW-LBPRGKRZSA-N 2 1 236.363 2.045 10 0 BEAEMP C[N@H+]1CCCC[C@H]1CC[NH2+][C@@H]1CC1(C)C ZINC000052206231 173007194 /nfs/dbraw/zinc/00/71/94/173007194.db2.gz PAUYKLFAVXGBNF-NWDGAFQWSA-N 2 1 210.365 2.249 10 0 BEAEMP C[N@H+]1CCC[C@@H]([C@@H]([NH3+])c2ccccc2)C1 ZINC000101136407 173022583 /nfs/dbraw/zinc/02/25/83/173022583.db2.gz BINAJLITODPBLY-OLZOCXBDSA-N 2 1 204.317 2.028 10 0 BEAEMP C[NH2+]C1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000075772268 173323950 /nfs/dbraw/zinc/32/39/50/173323950.db2.gz WSABCMHCIKCUJB-NNQSOWQGSA-N 2 1 232.371 2.362 10 0 BEAEMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)c1cccnc1 ZINC000054628078 173323956 /nfs/dbraw/zinc/32/39/56/173323956.db2.gz ZNEIPEWPTXPPTA-PRTUASRFSA-N 2 1 245.370 2.357 10 0 BEAEMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)c1cccnc1 ZINC000054628078 173323958 /nfs/dbraw/zinc/32/39/58/173323958.db2.gz ZNEIPEWPTXPPTA-PRTUASRFSA-N 2 1 245.370 2.357 10 0 BEAEMP C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCCCOC ZINC000054602455 173324077 /nfs/dbraw/zinc/32/40/77/173324077.db2.gz LROOZKBLDXEEAN-AGUYFDCRSA-N 2 1 240.391 2.018 10 0 BEAEMP C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCCCOC ZINC000054602455 173324079 /nfs/dbraw/zinc/32/40/79/173324079.db2.gz LROOZKBLDXEEAN-AGUYFDCRSA-N 2 1 240.391 2.018 10 0 BEAEMP C[NH2+]C[C@H]1CC[C@H](C[N@@H+](C)C2CCCCC2)O1 ZINC000052419381 173382903 /nfs/dbraw/zinc/38/29/03/173382903.db2.gz BTIFZQFVUGWNNT-ZIAGYGMSSA-N 2 1 240.391 2.018 10 0 BEAEMP C[NH2+]Cc1ccccc1Cn1c[nH+]c(C)c1C ZINC000052593751 173390087 /nfs/dbraw/zinc/39/00/87/173390087.db2.gz PSXLYMPICUBYAT-UHFFFAOYSA-N 2 1 229.327 2.268 10 0 BEAEMP C[NH2+]Cc1oc(C[N@H+]2CC[C@H](C)C2)cc1C ZINC000052484757 173399992 /nfs/dbraw/zinc/39/99/92/173399992.db2.gz HMTUFMAIURZGLH-JTQLQIEISA-N 2 1 222.332 2.149 10 0 BEAEMP COCCCCC[N@@H+](C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000124048936 174175684 /nfs/dbraw/zinc/17/56/84/174175684.db2.gz XQSOTEZEVIWDHR-KBPBESRZSA-N 2 1 242.407 2.218 10 0 BEAEMP COCCCCC[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000124048936 174175686 /nfs/dbraw/zinc/17/56/86/174175686.db2.gz XQSOTEZEVIWDHR-KBPBESRZSA-N 2 1 242.407 2.218 10 0 BEAEMP COCCCCC[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000124048936 174175688 /nfs/dbraw/zinc/17/56/88/174175688.db2.gz XQSOTEZEVIWDHR-KBPBESRZSA-N 2 1 242.407 2.218 10 0 BEAEMP COCCCCC[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000124048936 174175691 /nfs/dbraw/zinc/17/56/91/174175691.db2.gz XQSOTEZEVIWDHR-KBPBESRZSA-N 2 1 242.407 2.218 10 0 BEAEMP COCCCCC[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000124048936 174175693 /nfs/dbraw/zinc/17/56/93/174175693.db2.gz XQSOTEZEVIWDHR-KBPBESRZSA-N 2 1 242.407 2.218 10 0 BEAEMP COCC[N@@H+](C1CC1)[C@]1(C[NH3+])CCC[C@@H](C)C1 ZINC000042517874 174285671 /nfs/dbraw/zinc/28/56/71/174285671.db2.gz VSRJVFGSANNGDK-TZMCWYRMSA-N 2 1 240.391 2.005 10 0 BEAEMP COCC[N@@H+](CC(C)C)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000042367657 174287030 /nfs/dbraw/zinc/28/70/30/174287030.db2.gz QKDOEPZNOIORCN-KGLIPLIRSA-N 2 1 242.407 2.108 10 0 BEAEMP COCC[NH2+]CCC[N@@H+](C)C1CCC(C)CC1 ZINC000053499894 174332522 /nfs/dbraw/zinc/33/25/22/174332522.db2.gz PKGWWYQPOGKLSJ-UHFFFAOYSA-N 2 1 242.407 2.123 10 0 BEAEMP COc1ccc(C[C@@](C)(C[NH3+])[NH+]2CCCC2)cc1 ZINC000070139743 175116404 /nfs/dbraw/zinc/11/64/04/175116404.db2.gz SQIICCZLOPAYAR-HNNXBMFYSA-N 2 1 248.370 2.051 10 0 BEAEMP COc1ccc([C@@H]([C@@H](C)[NH3+])n2cc[nH+]c2C)cc1 ZINC000042962251 175181946 /nfs/dbraw/zinc/18/19/46/175181946.db2.gz WFAXUOJDAOAUIG-QMTHXVAHSA-N 2 1 245.326 2.137 10 0 BEAEMP COc1cccc(C[N@@H+](C)CCCCC(N)=[NH2+])c1 ZINC000049579783 175255910 /nfs/dbraw/zinc/25/59/10/175255910.db2.gz SXKQMEQTEQLNPW-UHFFFAOYSA-N 2 1 249.358 2.233 10 0 BEAEMP COc1cccc(C[N@@H+](CCC(N)=[NH2+])C(C)C)c1 ZINC000042529733 175257237 /nfs/dbraw/zinc/25/72/37/175257237.db2.gz FRKUPXIZMOGTGC-UHFFFAOYSA-N 2 1 249.358 2.232 10 0 BEAEMP COc1ccccc1C[C@@](C)(C[NH3+])[NH+]1CCCC1 ZINC000037734850 175332840 /nfs/dbraw/zinc/33/28/40/175332840.db2.gz BYGLAMPJOYMKKL-HNNXBMFYSA-N 2 1 248.370 2.051 10 0 BEAEMP COc1ccccc1[C@H]([C@H](C)[NH3+])n1cc[nH+]c1C ZINC000043098691 175354138 /nfs/dbraw/zinc/35/41/38/175354138.db2.gz BBUVFTPIWHAMQQ-HZMBPMFUSA-N 2 1 245.326 2.137 10 0 BEAEMP C[C@@H](c1ccsc1)[NH+]1CCC([NH3+])CC1 ZINC000050345144 176035508 /nfs/dbraw/zinc/03/55/08/176035508.db2.gz MZFDMNZYYRCSSQ-VIFPVBQESA-N 2 1 210.346 2.232 10 0 BEAEMP C[C@@H]1CCCC[N@H+]1CC1CCC([NH3+])CC1 ZINC000037482368 176070215 /nfs/dbraw/zinc/07/02/15/176070215.db2.gz GJKWPNZHNYANFF-PNESKVBLSA-N 2 1 210.365 2.378 10 0 BEAEMP C[C@@H]1CCCC[N@H+]1Cc1cc(C[NH3+])co1 ZINC000052378900 176073536 /nfs/dbraw/zinc/07/35/36/176073536.db2.gz GUGTXAPYCDSAJB-SNVBAGLBSA-N 2 1 208.305 2.113 10 0 BEAEMP C[C@@H]1CC[NH+](Cc2cccnc2)CC[C@@H](C)[NH2+]1 ZINC000049666582 176176307 /nfs/dbraw/zinc/17/63/07/176176307.db2.gz GGPYYMYQGKLHLD-CHWSQXEVSA-N 2 1 233.359 2.044 10 0 BEAEMP C[C@@H]1CC[N@H+]([C@@H](CC[NH3+])c2ccccc2)C1 ZINC000055016300 176180519 /nfs/dbraw/zinc/18/05/19/176180519.db2.gz LLFVZNSTAWNKAJ-OCCSQVGLSA-N 2 1 218.344 2.418 10 0 BEAEMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1cccs1 ZINC000042427265 176224586 /nfs/dbraw/zinc/22/45/86/176224586.db2.gz UULKCNKNLCNSLY-GHMZBOCLSA-N 2 1 224.373 2.307 10 0 BEAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)C[C@H]1[NH3+] ZINC000068592723 176305416 /nfs/dbraw/zinc/30/54/16/176305416.db2.gz NJDHZADSNKQAJW-YRGRVCCFSA-N 2 1 218.344 2.244 10 0 BEAEMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCc1ccccc1F ZINC000049708313 176371244 /nfs/dbraw/zinc/37/12/44/176371244.db2.gz URUTYXYLXYJVLC-YPMHNXCESA-N 2 1 236.334 2.180 10 0 BEAEMP C[C@@H]1C[C@@H]([N@@H+](C)CCc2ccncc2)CCN1C ZINC000123547320 176371696 /nfs/dbraw/zinc/37/16/96/176371696.db2.gz NBTYWYMYSVOWHV-HIFRSBDPSA-N 2 1 247.386 2.039 10 0 BEAEMP C[C@@H]1C[C@@H]([NH+](C)CCc2ccncc2)CC[N@@H+]1C ZINC000123547320 176371697 /nfs/dbraw/zinc/37/16/97/176371697.db2.gz NBTYWYMYSVOWHV-HIFRSBDPSA-N 2 1 247.386 2.039 10 0 BEAEMP C[C@@H]1C[C@@H]([NH+](C)CCc2ccncc2)CC[N@H+]1C ZINC000123547320 176371698 /nfs/dbraw/zinc/37/16/98/176371698.db2.gz NBTYWYMYSVOWHV-HIFRSBDPSA-N 2 1 247.386 2.039 10 0 BEAEMP C[C@H]1CC(C)(C)C[C@@](C[NH3+])([NH2+]C2CC2)C1 ZINC000050271073 177063643 /nfs/dbraw/zinc/06/36/43/177063643.db2.gz ZFEMCQQENHKGCO-GWCFXTLKSA-N 2 1 210.365 2.282 10 0 BEAEMP C[C@H]1CCC[N@H+]1Cc1cccc(C[NH3+])c1 ZINC000037910064 177110501 /nfs/dbraw/zinc/11/05/01/177110501.db2.gz WTXQLHOHNIIRTH-NSHDSACASA-N 2 1 204.317 2.130 10 0 BEAEMP C[C@@H]1CC[N@@H+](Cc2cccnc2)CC[C@H](C)[NH2+]1 ZINC000049666579 177165606 /nfs/dbraw/zinc/16/56/06/177165606.db2.gz GGPYYMYQGKLHLD-BETUJISGSA-N 2 1 233.359 2.044 10 0 BEAEMP C[C@@H]1CC[N@H+](Cc2cccnc2)CC[C@H](C)[NH2+]1 ZINC000049666579 177165607 /nfs/dbraw/zinc/16/56/07/177165607.db2.gz GGPYYMYQGKLHLD-BETUJISGSA-N 2 1 233.359 2.044 10 0 BEAEMP C[C@H]1CC[NH+](Cc2ccccn2)CC[C@H](C)[NH2+]1 ZINC000049666519 177165684 /nfs/dbraw/zinc/16/56/84/177165684.db2.gz GGZSFOUYDYQNTR-STQMWFEESA-N 2 1 233.359 2.044 10 0 BEAEMP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1ccc(F)cc1 ZINC000042427377 177188998 /nfs/dbraw/zinc/18/89/98/177188998.db2.gz NMAOAWLKDGEAHC-AAEUAGOBSA-N 2 1 236.334 2.385 10 0 BEAEMP C[C@H]1C[N@@H+](CCc2cccc(F)c2)CC[C@@H]1[NH3+] ZINC000049711344 177255051 /nfs/dbraw/zinc/25/50/51/177255051.db2.gz XJIIIDAGCBVIMP-FZMZJTMJSA-N 2 1 236.334 2.037 10 0 BEAEMP C[C@@H]1C[C@H](C)C[N@@H+](C2CCC([NH3+])CC2)C1 ZINC000055144194 177312184 /nfs/dbraw/zinc/31/21/84/177312184.db2.gz DNAXEEVMEQWMET-MPEURRAXSA-N 2 1 210.365 2.234 10 0 BEAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)C[C@@H]1[NH3+] ZINC000068592720 177364988 /nfs/dbraw/zinc/36/49/88/177364988.db2.gz NJDHZADSNKQAJW-DYEKYZERSA-N 2 1 218.344 2.244 10 0 BEAEMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCc1ccsc1 ZINC000049713598 177365454 /nfs/dbraw/zinc/36/54/54/177365454.db2.gz NXYDQHHFOQCQHP-CMPLNLGQSA-N 2 1 224.373 2.102 10 0 BEAEMP C[C@@H]1[C@@H](C)C[C@H]([NH3+])C[N@@H+]1Cc1ccccc1 ZINC000068593182 177365513 /nfs/dbraw/zinc/36/55/13/177365513.db2.gz NVIRYIHNKWLTFW-SCRDCRAPSA-N 2 1 218.344 2.244 10 0 BEAEMP C[C@@H]1[C@@H](C)C[C@H]([NH3+])C[N@H+]1Cc1ccccc1 ZINC000068593182 177365515 /nfs/dbraw/zinc/36/55/15/177365515.db2.gz NVIRYIHNKWLTFW-SCRDCRAPSA-N 2 1 218.344 2.244 10 0 BEAEMP CC(C)[C@@H](C)[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000252684160 487755571 /nfs/dbraw/zinc/75/55/71/487755571.db2.gz FZWFNVUGOHWPIL-NEPJUHHUSA-N 2 1 200.370 2.336 10 0 BEAEMP C[C@H](CC1CCC1)[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000666887472 487897896 /nfs/dbraw/zinc/89/78/96/487897896.db2.gz QWKBORHGOVMIBX-NTZNESFSSA-N 2 1 210.365 2.295 10 0 BEAEMP C[C@H]([NH2+][C@H]1CCC[NH2+][C@H]1C)C1CCCC1 ZINC000396646586 323435686 /nfs/dbraw/zinc/43/56/86/323435686.db2.gz CHESCNUPURHXCY-GVXVVHGQSA-N 2 1 210.365 2.295 10 0 BEAEMP C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000396709919 323653329 /nfs/dbraw/zinc/65/33/29/323653329.db2.gz OXJMJALYXUSVLY-MROQNXINSA-N 2 1 210.365 2.295 10 0 BEAEMP CC(C)(CC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1)C1CC1 ZINC000406020583 487495630 /nfs/dbraw/zinc/49/56/30/487495630.db2.gz DKRSTCGEYFGTAR-UBHSHLNASA-N 2 1 236.403 2.482 10 0 BEAEMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@@H](C)C(C)C ZINC000227731475 487504848 /nfs/dbraw/zinc/50/48/48/487504848.db2.gz FZWFNVUGOHWPIL-NWDGAFQWSA-N 2 1 200.370 2.336 10 0 BEAEMP CC(C)(C)OCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000127826337 490561667 /nfs/dbraw/zinc/56/16/67/490561667.db2.gz XHJKFHXMYOGRDK-CHWSQXEVSA-N 2 1 240.391 2.018 10 0 BEAEMP C[C@@H](C1CC1)[N@H+]1CCC[C@]12CC[C@@H](C)[NH2+]C2 ZINC000757126379 582501695 /nfs/dbraw/zinc/50/16/95/582501695.db2.gz FLJVLYOOVHKRJL-MBNYWOFBSA-N 2 1 222.376 2.391 10 0 BEAEMP C[C@@H](C1CC1)[N@H+]1CCC[C@@]12CC[C@@H](C)[NH2+]C2 ZINC000757126375 582501712 /nfs/dbraw/zinc/50/17/12/582501712.db2.gz FLJVLYOOVHKRJL-DYEKYZERSA-N 2 1 222.376 2.391 10 0 BEAEMP CC(C)CC[N@H+]1CCC[C@]12C[NH2+]C[C@@H](C)C2 ZINC000757127975 582503104 /nfs/dbraw/zinc/50/31/04/582503104.db2.gz IKGITYXQIRLARY-KBPBESRZSA-N 2 1 224.392 2.497 10 0 BEAEMP CC(C)C[N@H+]1CCC[C@@]12CCC[NH2+][C@H]2C ZINC000757124310 582499206 /nfs/dbraw/zinc/49/92/06/582499206.db2.gz CFOLKHFBJXSDBV-QWHCGFSZSA-N 2 1 210.365 2.249 10 0 BEAEMP CC(C)C[N@H+]1CCC[C@@]12CC[C@H](C)[NH2+]C2 ZINC000757124093 582499380 /nfs/dbraw/zinc/49/93/80/582499380.db2.gz BUOKJDINPYODGE-STQMWFEESA-N 2 1 210.365 2.249 10 0 BEAEMP CCCCC[N@H+]1CCCC12CC[NH2+]CC2 ZINC000757135093 582513512 /nfs/dbraw/zinc/51/35/12/582513512.db2.gz YJHDJPHXNCLKLL-UHFFFAOYSA-N 2 1 210.365 2.395 10 0 BEAEMP CC(C)[C@@H](C)[N@H+]1CCC[C@@]12C[NH2+]C[C@@H](C)C2 ZINC000757134997 582514248 /nfs/dbraw/zinc/51/42/48/582514248.db2.gz XTUUDHBNECBTHM-BFHYXJOUSA-N 2 1 224.392 2.495 10 0 BEAEMP C[N@H+]1CCC[C@]2(CC1)[NH2+][C@@H](C(C)(C)C)CCO2 ZINC000757141656 582522355 /nfs/dbraw/zinc/52/23/55/582522355.db2.gz PQRGPTKUGIKWPX-OCCSQVGLSA-N 2 1 240.391 2.223 10 0 BEAEMP CC(C)C[N@H+]1CCC[C@@]12C[NH2+]C[C@@H](C)C2 ZINC000757133715 586427152 /nfs/dbraw/zinc/42/71/52/586427152.db2.gz UAOGOGXWNSLEPY-QWHCGFSZSA-N 2 1 210.365 2.106 10 0 BEAEMP C[C@H](C[N@@H+]1CC[C@@H]1C[NH3+])C1CCCCC1 ZINC000757146433 586429063 /nfs/dbraw/zinc/42/90/63/586429063.db2.gz QMVSFERFCUOUOF-DGCLKSJQSA-N 2 1 210.365 2.236 10 0 BEAEMP C[C@H](C[N@H+]1CC[C@@H]1C[NH3+])C1CCCCC1 ZINC000757146433 586429065 /nfs/dbraw/zinc/42/90/65/586429065.db2.gz QMVSFERFCUOUOF-DGCLKSJQSA-N 2 1 210.365 2.236 10 0 BEAEMP [NH3+]C[C@@H]1CC[C@H](c2cscc2C(F)F)C[NH2+]1 ZINC000757232995 586443015 /nfs/dbraw/zinc/44/30/15/586443015.db2.gz JLJLYUZQNZAMPI-YUMQZZPRSA-N 2 1 246.326 2.480 10 0 BEAEMP [NH3+][C@H]1C[NH2+]C[C@@H](c2cscc2C(F)F)C1 ZINC000757239520 586444377 /nfs/dbraw/zinc/44/43/77/586444377.db2.gz ULMKVEIBJRNGKV-NKWVEPMBSA-N 2 1 232.299 2.090 10 0 BEAEMP C[N@@H+](CCSC(F)(F)F)CC(C)(C)C[NH3+] ZINC000123628136 592714467 /nfs/dbraw/zinc/71/44/67/592714467.db2.gz NZAUFZUPMGONOR-UHFFFAOYSA-N 2 1 244.326 2.156 10 0 BEAEMP CSC1(C[NH2+][C@H]2CC[NH2+]C2)CCCCC1 ZINC000235121483 632007639 /nfs/dbraw/zinc/00/76/39/632007639.db2.gz JBDRABKHHVLREN-NSHDSACASA-N 2 1 228.405 2.004 10 0 BEAEMP FC(F)(F)CC[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000334430847 636045382 /nfs/dbraw/zinc/04/53/82/636045382.db2.gz JYZIFZKOSQJBGF-SNVBAGLBSA-N 2 1 236.281 2.014 10 0 BEAEMP FC(F)(F)CC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000334430847 636045385 /nfs/dbraw/zinc/04/53/85/636045385.db2.gz JYZIFZKOSQJBGF-SNVBAGLBSA-N 2 1 236.281 2.014 10 0 BEAEMP C[N@@H+](CCCCCCC[NH3+])C[C@H]1CCCO1 ZINC000042466552 641552743 /nfs/dbraw/zinc/55/27/43/641552743.db2.gz YSFQAWKFTHNHOW-CYBMUJFWSA-N 2 1 228.380 2.006 10 0 BEAEMP CC[C@H](C)[N@H+]1CCC[C@]12C[NH2+]C[C@@H](C)C2 ZINC000757132728 643257856 /nfs/dbraw/zinc/25/78/56/643257856.db2.gz RRODXZYTRSHGBL-AVGNSLFASA-N 2 1 210.365 2.249 10 0 BEAEMP CC[C@H]1CC[C@H](C)[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000136231775 711691443 /nfs/dbraw/zinc/69/14/43/711691443.db2.gz BKOKHDKCWOHQRU-RNJOBUHISA-N 2 1 210.365 2.377 10 0 BEAEMP [NH3+]CCCCCC[N@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000378853284 712366533 /nfs/dbraw/zinc/36/65/33/712366533.db2.gz WUNGRVAUFHEJGA-STQMWFEESA-N 2 1 210.365 2.380 10 0 BEAEMP C[N@@H+](CCCCCC[NH3+])Cc1ccncc1 ZINC000036776458 712494480 /nfs/dbraw/zinc/49/44/80/712494480.db2.gz FSTOTEIXAMMCLY-UHFFFAOYSA-N 2 1 221.348 2.033 10 0 BEAEMP CCC[C@H](C)C[NH2+]C[C@@H]1CC[N@@H+](CC)C1 ZINC000037484261 712650834 /nfs/dbraw/zinc/65/08/34/712650834.db2.gz VUNBDXXBGGGNBL-STQMWFEESA-N 2 1 212.381 2.354 10 0 BEAEMP CCC[C@H](C)C[NH2+]C[C@H]1CC[N@@H+](CC)C1 ZINC000037484263 712650973 /nfs/dbraw/zinc/65/09/73/712650973.db2.gz VUNBDXXBGGGNBL-QWHCGFSZSA-N 2 1 212.381 2.354 10 0 BEAEMP Cc1cnc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)c(C)c1 ZINC000724084987 710736830 /nfs/dbraw/zinc/73/68/30/710736830.db2.gz GSWBKRIFIQWGCF-KBPBESRZSA-N 2 1 247.386 2.176 10 0 BEAEMP C[C@@H]1C[N@H+](Cc2cc(Cl)cs2)C[C@@H]1C[NH3+] ZINC000708862479 712201610 /nfs/dbraw/zinc/20/16/10/712201610.db2.gz HEQORARWJNFYEJ-BDAKNGLRSA-N 2 1 244.791 2.428 10 0 BEAEMP C[C@@H]1C[N@@H+](Cc2cc(Cl)cs2)C[C@@H]1C[NH3+] ZINC000708862479 712201612 /nfs/dbraw/zinc/20/16/12/712201612.db2.gz HEQORARWJNFYEJ-BDAKNGLRSA-N 2 1 244.791 2.428 10 0 BEAEMP CCC1([NH3+])CC[NH+]([C@H](C)c2nccnc2C)CC1 ZINC000714760036 712498071 /nfs/dbraw/zinc/49/80/71/712498071.db2.gz ZRAWVGYIFMMFAU-GFCCVEGCSA-N 2 1 248.374 2.049 10 0 BEAEMP CC[N@H+]1CC[C@H]([NH3+])C12CCC(C)(C)CC2 ZINC000685955101 538900145 /nfs/dbraw/zinc/90/01/45/538900145.db2.gz SXJKNXOBSAGZPL-NSHDSACASA-N 2 1 210.365 2.378 10 0 BEAEMP CC(C)[N@H+]1CC[C@H]([NH3+])C12CCC(F)(F)CC2 ZINC000685953000 538896373 /nfs/dbraw/zinc/89/63/73/538896373.db2.gz FHOVGWHXAYXIOA-JTQLQIEISA-N 2 1 232.318 2.376 10 0 BEAEMP CC(C)[N@H+]1CC[C@H]([NH3+])[C@@]12CCC[C@@H](C)C2 ZINC000685953111 538897449 /nfs/dbraw/zinc/89/74/49/538897449.db2.gz GEOJHZJSLOOTFB-AGIUHOORSA-N 2 1 210.365 2.377 10 0 BEAEMP CCCc1cccc([C@@H]2C[NH2+]C[C@@]2(C)[NH3+])c1 ZINC000685965611 538912192 /nfs/dbraw/zinc/91/21/92/538912192.db2.gz LDPYQMUJUQIXJD-UONOGXRCSA-N 2 1 218.344 2.043 10 0 BEAEMP CCC(CC)(C[NH3+])C[N@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000051252585 168323052 /nfs/dbraw/zinc/32/30/52/168323052.db2.gz YVXBRSFJVLJHPL-STQMWFEESA-N 2 1 240.391 2.005 10 0 BEAEMP CC(C)[N@@H+](CC1CC1)C[C@@]1(C)CC[NH2+]C1 ZINC000062911954 349496368 /nfs/dbraw/zinc/49/63/68/349496368.db2.gz VOSYLBGQTHDAQA-ZDUSSCGKSA-N 2 1 210.365 2.106 10 0 BEAEMP [NH3+][C@H]1CCC[C@@]12CC[N@@H+](Cc1ccccc1)C2 ZINC000071373386 398147883 /nfs/dbraw/zinc/14/78/83/398147883.db2.gz XSLBNUDXCRSMOS-GJZGRUSLSA-N 2 1 230.355 2.390 10 0 BEAEMP C[N@H+](Cc1cccs1)C[C@]1(C)CC[NH2+]C1 ZINC000062911174 187323261 /nfs/dbraw/zinc/32/32/61/187323261.db2.gz IKAFWKFDWVTRJE-GFCCVEGCSA-N 2 1 224.373 2.180 10 0 BEAEMP C[N@@H+](Cc1cccs1)C[C@]1(C)CC[NH2+]C1 ZINC000062911174 187323263 /nfs/dbraw/zinc/32/32/63/187323263.db2.gz IKAFWKFDWVTRJE-GFCCVEGCSA-N 2 1 224.373 2.180 10 0 BEAEMP Cc1[nH+]ccn1CC[NH2+]C[C@H](C)C(C)(C)C ZINC000162877050 538925178 /nfs/dbraw/zinc/92/51/78/538925178.db2.gz QPMWMLKDTUZUDC-NSHDSACASA-N 2 1 223.364 2.463 10 0 BEAEMP C[C@H]([NH2+][C@@H]1CCS[C@@H]1C)[C@@H]1CCCC[NH2+]1 ZINC000386621812 398214062 /nfs/dbraw/zinc/21/40/62/398214062.db2.gz YIDNHYPUVUPKCB-WHOHXGKFSA-N 2 1 228.405 2.001 10 0 BEAEMP CCC(CC)[N@H+](CCOC)[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000062948916 168376096 /nfs/dbraw/zinc/37/60/96/168376096.db2.gz MNDFKVJTEZDPIB-GXTWGEPZSA-N 2 1 242.407 2.264 10 0 BEAEMP CCC(CC)[N@@H+](CCOC)[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000062948916 168376099 /nfs/dbraw/zinc/37/60/99/168376099.db2.gz MNDFKVJTEZDPIB-GXTWGEPZSA-N 2 1 242.407 2.264 10 0 BEAEMP C[C@H](C[C@H](C)[NH3+])Nc1[nH+]c2ccccc2n1C ZINC000320978636 342748313 /nfs/dbraw/zinc/74/83/13/342748313.db2.gz XJSVNWWTSHDEPH-VHSXEESVSA-N 2 1 232.331 2.111 10 0 BEAEMP CC[N@@H+](CCCC[NH3+])Cc1ccccc1OC ZINC000149498162 342794397 /nfs/dbraw/zinc/79/43/97/342794397.db2.gz KCEPDIRGJZDZIT-UHFFFAOYSA-N 2 1 236.359 2.256 10 0 BEAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000020285976 342980580 /nfs/dbraw/zinc/98/05/80/342980580.db2.gz IFQRFSKEHYUZAT-RRFJBIMHSA-N 2 1 230.355 2.246 10 0 BEAEMP Cn1cc[nH+]c1CC1CC[NH+](CCCF)CC1 ZINC000128906879 187233300 /nfs/dbraw/zinc/23/33/00/187233300.db2.gz KWRFZCBKZALKKS-UHFFFAOYSA-N 2 1 239.338 2.034 10 0 BEAEMP CC(C)[N@H+]1CC[C@H](CNc2cc[nH+]cc2)C1 ZINC000040624140 187264303 /nfs/dbraw/zinc/26/43/03/187264303.db2.gz LULGXHHEFHRZCP-GFCCVEGCSA-N 2 1 219.332 2.224 10 0 BEAEMP CC(C)[C@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000081043716 534943943 /nfs/dbraw/zinc/94/39/43/534943943.db2.gz YKDGTGNGDJSAKS-RLAWYHOSSA-N 2 1 224.392 2.493 10 0 BEAEMP COc1ccc(C[N@@H+]2CCC[NH2+][C@@H](C)CC2)cc1 ZINC000049663498 187270553 /nfs/dbraw/zinc/27/05/53/187270553.db2.gz ZWBDEJCWKBWCGV-ZDUSSCGKSA-N 2 1 248.370 2.269 10 0 BEAEMP COc1ccc(C[N@H+]2CCC[NH2+][C@@H](C)CC2)cc1 ZINC000049663498 187270554 /nfs/dbraw/zinc/27/05/54/187270554.db2.gz ZWBDEJCWKBWCGV-ZDUSSCGKSA-N 2 1 248.370 2.269 10 0 BEAEMP C[NH2+]Cc1cc(C[N@H+]2CC[C@@H](C)C2)oc1C ZINC000052484383 187271232 /nfs/dbraw/zinc/27/12/32/187271232.db2.gz QNOWPNUQGVRLLE-SNVBAGLBSA-N 2 1 222.332 2.149 10 0 BEAEMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]C2CC2)C1 ZINC000037478513 537819814 /nfs/dbraw/zinc/81/98/14/537819814.db2.gz IENRIPWVIMJNFD-TXEJJXNPSA-N 2 1 210.365 2.106 10 0 BEAEMP CC(C)(C)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH3+] ZINC000409433776 343830540 /nfs/dbraw/zinc/83/05/40/343830540.db2.gz STCOZWUYKYDOOB-KGLIPLIRSA-N 2 1 232.371 2.492 10 0 BEAEMP CC(C)(C)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH3+] ZINC000409433776 343830542 /nfs/dbraw/zinc/83/05/42/343830542.db2.gz STCOZWUYKYDOOB-KGLIPLIRSA-N 2 1 232.371 2.492 10 0 BEAEMP CCc1ccc(C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)s1 ZINC000634998169 345197378 /nfs/dbraw/zinc/19/73/78/345197378.db2.gz BTJGHYYNNDMFQW-QWRGUYRKSA-N 2 1 238.400 2.337 10 0 BEAEMP CCOc1cccc(C[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000634999901 345202155 /nfs/dbraw/zinc/20/21/55/345202155.db2.gz BWSUAAWMLIYNOP-OCCSQVGLSA-N 2 1 248.370 2.112 10 0 BEAEMP [NH3+][C@H]1CC[C@H](Nc2[nH]c3ccccc3[nH+]2)CC1 ZINC000257353930 345774544 /nfs/dbraw/zinc/77/45/44/345774544.db2.gz URLZDCSCQXVPAJ-MGCOHNPYSA-N 2 1 230.315 2.245 10 0 BEAEMP Cc1ccc2c(c1)C=C(C[C@@H]([NH3+])C[NH3+])CC2 ZINC000034482117 345835195 /nfs/dbraw/zinc/83/51/95/345835195.db2.gz PTMQQFIDAOXRNJ-CQSZACIVSA-N 2 1 216.328 2.001 10 0 BEAEMP Cc1cccc(C[N@H+](C)C(C)(C)C[NH3+])c1 ZINC000020226813 179064200 /nfs/dbraw/zinc/06/42/00/179064200.db2.gz XSKJCEODTWFUBP-UHFFFAOYSA-N 2 1 206.333 2.164 10 0 BEAEMP Cc1cccc(C[N@@H+](C)C(C)(C)C[NH3+])c1 ZINC000020226813 179064197 /nfs/dbraw/zinc/06/41/97/179064197.db2.gz XSKJCEODTWFUBP-UHFFFAOYSA-N 2 1 206.333 2.164 10 0 BEAEMP CC[N@H+]1CCC[C@H](Nc2cc[nH+]c(C)c2)C1 ZINC000229564182 346437684 /nfs/dbraw/zinc/43/76/84/346437684.db2.gz KCZZSXHKDKNWQC-ZDUSSCGKSA-N 2 1 219.332 2.286 10 0 BEAEMP CCC(CC)[NH2+][C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000725241906 537981212 /nfs/dbraw/zinc/98/12/12/537981212.db2.gz VTTKHQBNQVMILI-QWHCGFSZSA-N 2 1 210.365 2.391 10 0 BEAEMP CCC(CC)[NH2+][C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000725241906 537981221 /nfs/dbraw/zinc/98/12/21/537981221.db2.gz VTTKHQBNQVMILI-QWHCGFSZSA-N 2 1 210.365 2.391 10 0 BEAEMP Cc1cccc(C[NH2+]C[C@H]2CC[N@H+](C)C2)c1 ZINC000037484594 179094388 /nfs/dbraw/zinc/09/43/88/179094388.db2.gz DSDCVVHUHWCSTF-CQSZACIVSA-N 2 1 218.344 2.036 10 0 BEAEMP C[N@H+](Cc1ccccc1)C[C@H]1CCC[C@H]1C[NH3+] ZINC000250223778 362797208 /nfs/dbraw/zinc/79/72/08/362797208.db2.gz IPJQFSDRLAVHDQ-LSDHHAIUSA-N 2 1 232.371 2.493 10 0 BEAEMP Cc1ccccc1C[N@@H+](C)[C@@H](C)[C@@H](C)[NH3+] ZINC000042436037 179270457 /nfs/dbraw/zinc/27/04/57/179270457.db2.gz DBHKCKSZWRCNBD-NEPJUHHUSA-N 2 1 206.333 2.163 10 0 BEAEMP Cc1ccccc1C[N@H+](C)[C@@H](C)[C@@H](C)[NH3+] ZINC000042436037 179270459 /nfs/dbraw/zinc/27/04/59/179270459.db2.gz DBHKCKSZWRCNBD-NEPJUHHUSA-N 2 1 206.333 2.163 10 0 BEAEMP Cc1ccccc1OCC[C@](C)(C[NH3+])[NH+](C)C ZINC000019667650 179312107 /nfs/dbraw/zinc/31/21/07/179312107.db2.gz NSKBECMSDMWXOH-CQSZACIVSA-N 2 1 236.359 2.043 10 0 BEAEMP CC[C@H]([NH3+])[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000037116221 348021130 /nfs/dbraw/zinc/02/11/30/348021130.db2.gz ASHOEEGDBJWQIN-YPMHNXCESA-N 2 1 206.333 2.244 10 0 BEAEMP CC[C@H]([NH3+])[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000037116221 348021132 /nfs/dbraw/zinc/02/11/32/348021132.db2.gz ASHOEEGDBJWQIN-YPMHNXCESA-N 2 1 206.333 2.244 10 0 BEAEMP Cc1cccnc1C[N@H+]1CC[C@H](C[NH2+]C(C)C)C1 ZINC000071344232 179374878 /nfs/dbraw/zinc/37/48/78/179374878.db2.gz GLGRXGVUWHBCIT-CQSZACIVSA-N 2 1 247.386 2.210 10 0 BEAEMP Cc1cccnc1C[N@@H+]1CC[C@H](C[NH2+]C(C)C)C1 ZINC000071344232 179374882 /nfs/dbraw/zinc/37/48/82/179374882.db2.gz GLGRXGVUWHBCIT-CQSZACIVSA-N 2 1 247.386 2.210 10 0 BEAEMP c1cn([C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000060250577 350220167 /nfs/dbraw/zinc/22/01/67/350220167.db2.gz MEHGZKIWJHTWJU-AWEZNQCLSA-N 2 1 227.311 2.330 10 0 BEAEMP Cc1[nH+]ccn1[C@@H](C)C[NH2+]C1CCCC1 ZINC000053500419 180272504 /nfs/dbraw/zinc/27/25/04/180272504.db2.gz QVEKGHHXZSSDIN-JTQLQIEISA-N 2 1 207.321 2.285 10 0 BEAEMP Cc1[nH+]ccn1[C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000042902734 180272574 /nfs/dbraw/zinc/27/25/74/180272574.db2.gz CSWBAQOTXUKFIB-GWCFXTLKSA-N 2 1 215.300 2.128 10 0 BEAEMP Cc1[nH+]ccn1[C@@H](c1cccs1)[C@@H](C)[NH3+] ZINC000043107022 180272587 /nfs/dbraw/zinc/27/25/87/180272587.db2.gz UNPLLYGCDHEOGU-LDYMZIIASA-N 2 1 221.329 2.190 10 0 BEAEMP C[C@@H]1CCC[N@H+]([C@H]2CCC[C@H](C[NH3+])C2)C1 ZINC000252208593 538085866 /nfs/dbraw/zinc/08/58/66/538085866.db2.gz VRAPUDSSFCIUIU-AGIUHOORSA-N 2 1 210.365 2.236 10 0 BEAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ccco1 ZINC000180120470 180267050 /nfs/dbraw/zinc/26/70/50/180267050.db2.gz PAFHDGZDIJJWRD-ZDUSSCGKSA-N 2 1 245.326 2.449 10 0 BEAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ccco1 ZINC000180120470 180267053 /nfs/dbraw/zinc/26/70/53/180267053.db2.gz PAFHDGZDIJJWRD-ZDUSSCGKSA-N 2 1 245.326 2.449 10 0 BEAEMP Cc1[nH+]ccn1Cc1ccoc1C[NH2+]C1CC1 ZINC000052576100 180270091 /nfs/dbraw/zinc/27/00/91/180270091.db2.gz BYZWEOQZNUTELH-UHFFFAOYSA-N 2 1 231.299 2.085 10 0 BEAEMP Cc1[nH+]ccn1[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000023069052 180271283 /nfs/dbraw/zinc/27/12/83/180271283.db2.gz KORPKIZVVPVRJG-NWDGAFQWSA-N 2 1 207.321 2.414 10 0 BEAEMP Cc1[nH+]cn(CCOc2ccc(C[NH3+])cc2)c1C ZINC000051926108 180288012 /nfs/dbraw/zinc/28/80/12/180288012.db2.gz YTMSNBRESIXCPP-UHFFFAOYSA-N 2 1 245.326 2.038 10 0 BEAEMP Cc1[nH+]cn([C@H](C[NH3+])c2ccccc2)c1C ZINC000051925868 180289614 /nfs/dbraw/zinc/28/96/14/180289614.db2.gz MQKRDWUNAFJBLU-CYBMUJFWSA-N 2 1 215.300 2.048 10 0 BEAEMP Cc1[nH+]cn(Cc2ccccc2C[NH3+])c1C ZINC000051926092 180289850 /nfs/dbraw/zinc/28/98/50/180289850.db2.gz TZPCGDCAVXDRAO-UHFFFAOYSA-N 2 1 215.300 2.007 10 0 BEAEMP Cc1[nH+]cn(CCC[C@@H]2CCC[NH2+]2)c1C ZINC000052764928 180286734 /nfs/dbraw/zinc/28/67/34/180286734.db2.gz XJCPLVOKSQCQSS-LBPRGKRZSA-N 2 1 207.321 2.032 10 0 BEAEMP CC(C)[N@@H+]1CCC[C@@H](c2cc[nH+]c(N)c2)CC1 ZINC000616600419 350780583 /nfs/dbraw/zinc/78/05/83/350780583.db2.gz DYEIPMKTMBAYKW-GFCCVEGCSA-N 2 1 233.359 2.472 10 0 BEAEMP CC(C)[N@H+]1CCC[C@@H](c2cc[nH+]c(N)c2)CC1 ZINC000616600419 350780587 /nfs/dbraw/zinc/78/05/87/350780587.db2.gz DYEIPMKTMBAYKW-GFCCVEGCSA-N 2 1 233.359 2.472 10 0 BEAEMP COc1ccc([C@@H]2CCC[N@H+](CC[NH3+])CC2)cc1 ZINC000616600978 350781408 /nfs/dbraw/zinc/78/14/08/350781408.db2.gz JPKUSMBRMXZAJK-CYBMUJFWSA-N 2 1 248.370 2.223 10 0 BEAEMP COc1ccc([C@@H]2CCC[N@@H+](CC[NH3+])CC2)cc1 ZINC000616600978 350781410 /nfs/dbraw/zinc/78/14/10/350781410.db2.gz JPKUSMBRMXZAJK-CYBMUJFWSA-N 2 1 248.370 2.223 10 0 BEAEMP CC[N@@H+]1CCC[C@H](c2cc[nH+]c(N)c2)CC1 ZINC000616601115 350781797 /nfs/dbraw/zinc/78/17/97/350781797.db2.gz JMZFBTSVNDTBAV-NSHDSACASA-N 2 1 219.332 2.084 10 0 BEAEMP CC[N@H+]1CCC[C@H](c2cc[nH+]c(N)c2)CC1 ZINC000616601115 350781800 /nfs/dbraw/zinc/78/18/00/350781800.db2.gz JMZFBTSVNDTBAV-NSHDSACASA-N 2 1 219.332 2.084 10 0 BEAEMP CC(C)[NH+]1CCC(c2cc[nH+]c(N)c2)CC1 ZINC000616618978 350926136 /nfs/dbraw/zinc/92/61/36/350926136.db2.gz BCXQNRAUOJFONT-UHFFFAOYSA-N 2 1 219.332 2.082 10 0 BEAEMP C[C@@H](CCC[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000052417486 350991688 /nfs/dbraw/zinc/99/16/88/350991688.db2.gz KUZISSLMWFPTFW-LBPRGKRZSA-N 2 1 206.333 2.246 10 0 BEAEMP C[N@@H+](Cc1occc1C[NH3+])Cc1ccccc1 ZINC000052417456 350992203 /nfs/dbraw/zinc/99/22/03/350992203.db2.gz UIUFQGGZAHIPTP-UHFFFAOYSA-N 2 1 230.311 2.370 10 0 BEAEMP CC[NH2+]C[C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000052417416 350992244 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CC(C)(C)c1ccc([C@@H]2C[NH2+]C[C@@]2(C)[NH3+])cc1 ZINC000725268217 538100222 /nfs/dbraw/zinc/10/02/22/538100222.db2.gz PDBZWBKHHSWGAZ-DZGCQCFKSA-N 2 1 232.371 2.388 10 0 BEAEMP C[C@@H]1CCC[N@H+]1Cc1ccc(C[NH3+])s1 ZINC000231959532 351482020 /nfs/dbraw/zinc/48/20/20/351482020.db2.gz CYCYCTFWAYJHJD-SECBINFHSA-N 2 1 210.346 2.191 10 0 BEAEMP C[C@H]1CCC[N@H+]1Cc1ccc(C[NH3+])s1 ZINC000231959535 351482036 /nfs/dbraw/zinc/48/20/36/351482036.db2.gz CYCYCTFWAYJHJD-VIFPVBQESA-N 2 1 210.346 2.191 10 0 BEAEMP CC[N@H+]1CCC[C@@H]1CN(C)c1cc[nH+]c(C)c1 ZINC000274936476 351588381 /nfs/dbraw/zinc/58/83/81/351588381.db2.gz SBOKXBMRPXWNCJ-CQSZACIVSA-N 2 1 233.359 2.311 10 0 BEAEMP C[N@@H+](Cc1ccsc1)[C@H]1CC[C@@H]([NH3+])C1 ZINC000223120810 353138083 /nfs/dbraw/zinc/13/80/83/353138083.db2.gz PPDSNSFPEZEQIL-MNOVXSKESA-N 2 1 210.346 2.060 10 0 BEAEMP C[NH2+][C@@H]1CC[N@@H+](Cc2cccc(C)c2)C[C@H]1C ZINC000049712996 188298619 /nfs/dbraw/zinc/29/86/19/188298619.db2.gz WYCGVYQTJANWEN-UKRRQHHQSA-N 2 1 232.371 2.425 10 0 BEAEMP COc1ccc(C[N@H+]2C[C@H](C[NH3+])CC[C@H]2C)cc1 ZINC000070199453 188305174 /nfs/dbraw/zinc/30/51/74/188305174.db2.gz GZPCMLPHWOEBGV-OCCSQVGLSA-N 2 1 248.370 2.254 10 0 BEAEMP C[N@@H+](Cc1ccccc1)[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405532271 353796200 /nfs/dbraw/zinc/79/62/00/353796200.db2.gz YMGDCRMGDSALPQ-UONOGXRCSA-N 2 1 230.355 2.388 10 0 BEAEMP NC(=[NH2+])CC[N@H+](Cc1ccc(F)cc1)C1CC1 ZINC000042547925 181186797 /nfs/dbraw/zinc/18/67/97/181186797.db2.gz AZNYXPXGQKROTG-UHFFFAOYSA-N 2 1 235.306 2.116 10 0 BEAEMP NC(=[NH2+])CC[N@@H+](Cc1ccc(F)cc1)C1CC1 ZINC000042547925 181186799 /nfs/dbraw/zinc/18/67/99/181186799.db2.gz AZNYXPXGQKROTG-UHFFFAOYSA-N 2 1 235.306 2.116 10 0 BEAEMP Cc1ccc([C@@H]2C[C@H]([NH3+])CC[N@H+]2C)cc1F ZINC000675055463 538475829 /nfs/dbraw/zinc/47/58/29/538475829.db2.gz STKLGMBJIWJYFK-YPMHNXCESA-N 2 1 222.307 2.228 10 0 BEAEMP Cc1ccc([C@@H]2C[C@H]([NH3+])CC[N@@H+]2C)cc1F ZINC000675055463 538475833 /nfs/dbraw/zinc/47/58/33/538475833.db2.gz 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ZINC000685951674 538895192 /nfs/dbraw/zinc/89/51/92/538895192.db2.gz VNKPZUHMUAAWMQ-JHJVBQTASA-N 2 1 224.392 2.495 10 0 BEAEMP CC[C@@H]1CCCC[N@H+]1[C@H]1[C@H](C)C[NH2+]C[C@@H]1C ZINC000685951683 538895266 /nfs/dbraw/zinc/89/52/66/538895266.db2.gz VNKPZUHMUAAWMQ-RQJABVFESA-N 2 1 224.392 2.495 10 0 BEAEMP C[C@@H]1C[NH2+]C[C@@H](C)C1[N@H+]1CCC[C@@H](C)[C@@H]1C ZINC000685951779 538895533 /nfs/dbraw/zinc/89/55/33/538895533.db2.gz YBEXMWBJOJKQSU-LPWJVIDDSA-N 2 1 224.392 2.351 10 0 BEAEMP CC[C@H]1CC[C@@H](CC[N@@H+](C)CC)[NH+](C)C1 ZINC000584627576 358297421 /nfs/dbraw/zinc/29/74/21/358297421.db2.gz XWUGWNNMONIIBW-STQMWFEESA-N 2 1 212.381 2.449 10 0 BEAEMP CC[C@H]1CC[C@@H](CC[NH+](C)CC)[N@H+](C)C1 ZINC000584627576 358297424 /nfs/dbraw/zinc/29/74/24/358297424.db2.gz XWUGWNNMONIIBW-STQMWFEESA-N 2 1 212.381 2.449 10 0 BEAEMP CC[C@H]1CC[C@@H](CC[NH+](C)CC)[N@@H+](C)C1 ZINC000584627576 358297426 /nfs/dbraw/zinc/29/74/26/358297426.db2.gz XWUGWNNMONIIBW-STQMWFEESA-N 2 1 212.381 2.449 10 0 BEAEMP CC[N@H+]1CCC[C@@H](Nc2cc[nH+]cc2C)C1 ZINC000070047154 359040215 /nfs/dbraw/zinc/04/02/15/359040215.db2.gz WAZANJHJVJQXDB-GFCCVEGCSA-N 2 1 219.332 2.286 10 0 BEAEMP Clc1c[nH+]ccc1NCC1CC[NH2+]CC1 ZINC000086839758 359543282 /nfs/dbraw/zinc/54/32/82/359543282.db2.gz PBGXBWMRYLBXRL-UHFFFAOYSA-N 2 1 225.723 2.147 10 0 BEAEMP CCc1ccc([C@H]2C[C@@H]([NH3+])CC[N@H+]2C)cc1 ZINC000074081398 541312585 /nfs/dbraw/zinc/31/25/85/541312585.db2.gz SWQJKRNHSDZRRR-UONOGXRCSA-N 2 1 218.344 2.343 10 0 BEAEMP Cc1ccc([C@@H]2C[C@@H]([NH3+])CC[N@@H+]2C)cc1C ZINC000074081390 541313222 /nfs/dbraw/zinc/31/32/22/541313222.db2.gz YYSUSENLHFYVJK-KBPBESRZSA-N 2 1 218.344 2.397 10 0 BEAEMP CO[C@@H]1C[N@@H+](C[C@@H](C)CC(C)C)[C@](C)(C[NH3+])C1 ZINC000630370013 364087746 /nfs/dbraw/zinc/08/77/46/364087746.db2.gz YJAYDCHHHZHORS-IHRRRGAJSA-N 2 1 242.407 2.107 10 0 BEAEMP CCc1cc(N2CCCCC[C@H]([NH3+])C2)nc(C)[nH+]1 ZINC000630548964 364246492 /nfs/dbraw/zinc/24/64/92/364246492.db2.gz LAKLQBUPQABICB-LBPRGKRZSA-N 2 1 248.374 2.055 10 0 BEAEMP [NH3+]CC[NH2+]CC(c1ccccc1)c1ccccc1 ZINC000074339335 181397059 /nfs/dbraw/zinc/39/70/59/181397059.db2.gz XTUAJSCMFSCRIV-UHFFFAOYSA-N 2 1 240.350 2.367 10 0 BEAEMP CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386173635 367924067 /nfs/dbraw/zinc/92/40/67/367924067.db2.gz WUQZWJZLGABMMU-NDBYEHHHSA-N 2 1 210.365 2.295 10 0 BEAEMP CC(C)([NH3+])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000004204177 368907463 /nfs/dbraw/zinc/90/74/63/368907463.db2.gz VKMDDONHDBJSAT-ZDUSSCGKSA-N 2 1 218.344 2.246 10 0 BEAEMP C[C@@H]1C[N@@H+](CCCC2CCC2)C[C@@H]1C[NH3+] ZINC000631836731 369088850 /nfs/dbraw/zinc/08/88/50/369088850.db2.gz FZKXJWXTONATET-YPMHNXCESA-N 2 1 210.365 2.093 10 0 BEAEMP C[C@@H]1C[N@@H+](Cc2cc3ccccc3o2)C[C@@H]1C[NH3+] ZINC000631838118 369117155 /nfs/dbraw/zinc/11/71/55/369117155.db2.gz JCFAJTAOGPHUTK-YPMHNXCESA-N 2 1 244.338 2.459 10 0 BEAEMP C[C@H](c1ccc(F)cc1)[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631839555 369143333 /nfs/dbraw/zinc/14/33/33/369143333.db2.gz HRABYVDZHUTUSH-WZRBSPASSA-N 2 1 236.334 2.413 10 0 BEAEMP Cc1cccc(C)c1C[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631839692 369170268 /nfs/dbraw/zinc/17/02/68/369170268.db2.gz JRSKBYAHNSJXSG-KGLIPLIRSA-N 2 1 232.371 2.330 10 0 BEAEMP [NH3+]Cc1cccc(C[N@H+]2CCCSCC2)c1 ZINC000042443317 181488026 /nfs/dbraw/zinc/48/80/26/181488026.db2.gz RMVDUKVAUJNFTE-UHFFFAOYSA-N 2 1 236.384 2.084 10 0 BEAEMP [NH3+][C@H](C[NH2+]C(C1CC1)C1CC1)Cc1ccccc1 ZINC000049237859 181617762 /nfs/dbraw/zinc/61/77/62/181617762.db2.gz QAGQNUHUFCHVEU-HNNXBMFYSA-N 2 1 244.382 2.335 10 0 BEAEMP Cc1ccc(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)cc1C ZINC000631837644 372628491 /nfs/dbraw/zinc/62/84/91/372628491.db2.gz DMPVVFJVZVNNRC-HIFRSBDPSA-N 2 1 232.371 2.330 10 0 BEAEMP C[C@@H](c1ccccc1F)[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631841636 372637961 /nfs/dbraw/zinc/63/79/61/372637961.db2.gz NKARUANFGWFBQI-WOPDTQHZSA-N 2 1 236.334 2.413 10 0 BEAEMP CCC(C)(C)CC[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631837983 372606194 /nfs/dbraw/zinc/60/61/94/372606194.db2.gz YLUVTZHTSBIQDK-RYUDHWBXSA-N 2 1 212.381 2.339 10 0 BEAEMP C[C@H]1CCC[C@@H](CN)[N@@H+]1Cc1ccccc1 ZINC000069721359 373648494 /nfs/dbraw/zinc/64/84/94/373648494.db2.gz AZKQWCPTAGSIIP-JSGCOSHPSA-N 2 1 218.344 2.388 10 0 BEAEMP C[C@H]1CCC[C@@H](C[NH3+])[N@@H+]1Cc1ccccc1 ZINC000069721359 373648509 /nfs/dbraw/zinc/64/85/09/373648509.db2.gz AZKQWCPTAGSIIP-JSGCOSHPSA-N 2 1 218.344 2.388 10 0 BEAEMP C[C@H]1CCC[C@@H](C[NH3+])[N@H+]1Cc1ccccc1 ZINC000069721359 373648515 /nfs/dbraw/zinc/64/85/15/373648515.db2.gz AZKQWCPTAGSIIP-JSGCOSHPSA-N 2 1 218.344 2.388 10 0 BEAEMP CCOCCC[N@H+]1CC[C@H](CC)[NH2+]C[C@@H](C)C1 ZINC000049665161 170375395 /nfs/dbraw/zinc/37/53/95/170375395.db2.gz ZXUCZIOMPLRTAA-KGLIPLIRSA-N 2 1 242.407 2.123 10 0 BEAEMP CCC[N@@H+](C)CCCOc1ccc(C[NH3+])cc1 ZINC000037097909 169076689 /nfs/dbraw/zinc/07/66/89/169076689.db2.gz BZBAFCVNHCYHKR-UHFFFAOYSA-N 2 1 236.359 2.256 10 0 BEAEMP CCC[N@@H+](C)Cc1cc(C[NH2+]CC(C)C)no1 ZINC000052444492 169081466 /nfs/dbraw/zinc/08/14/66/169081466.db2.gz SAMUHTHSKITECU-UHFFFAOYSA-N 2 1 239.363 2.262 10 0 BEAEMP c1cc2cc[nH+]cc2c(NC2CC[NH2+]CC2)c1 ZINC000082792349 183357449 /nfs/dbraw/zinc/35/74/49/183357449.db2.gz YIKXSZMUNPULIF-UHFFFAOYSA-N 2 1 227.311 2.399 10 0 BEAEMP CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CC ZINC000054601420 169255246 /nfs/dbraw/zinc/25/52/46/169255246.db2.gz FIFZHOJBNYSPOV-YHWZYXNKSA-N 2 1 210.365 2.391 10 0 BEAEMP CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC ZINC000054601420 169255248 /nfs/dbraw/zinc/25/52/48/169255248.db2.gz FIFZHOJBNYSPOV-YHWZYXNKSA-N 2 1 210.365 2.391 10 0 BEAEMP CCC[NH2+]C1CC[NH+]([C@H](C)[C@@H]2CCCO2)CC1 ZINC000035735964 169255391 /nfs/dbraw/zinc/25/53/91/169255391.db2.gz GPQKCPPKVJHLAN-OCCSQVGLSA-N 2 1 240.391 2.018 10 0 BEAEMP CCC[NH2+]CCC[C@H](C)[N@@H+](C)C[C@@H]1CCCO1 ZINC000052541012 169257930 /nfs/dbraw/zinc/25/79/30/169257930.db2.gz QIJDTYKEJJNQIR-KBPBESRZSA-N 2 1 242.407 2.266 10 0 BEAEMP CCC[NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000053654601 169264887 /nfs/dbraw/zinc/26/48/87/169264887.db2.gz SIRDCSHDTFKMJH-CYBMUJFWSA-N 2 1 212.381 2.354 10 0 BEAEMP CCC[NH2+]C[C@H]1CC[C@@H](C[N@@H+](C)CC(C)C)O1 ZINC000052452820 169265033 /nfs/dbraw/zinc/26/50/33/169265033.db2.gz LNPBERLHCJEFHU-KGLIPLIRSA-N 2 1 242.407 2.121 10 0 BEAEMP c1ccc(CC[N@H+]2CC[C@H](C[NH2+]C3CC3)C2)cc1 ZINC000053012495 183394183 /nfs/dbraw/zinc/39/41/83/183394183.db2.gz LXEIXMWEIAAYIQ-OAHLLOKOSA-N 2 1 244.382 2.303 10 0 BEAEMP c1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)nc1 ZINC000037916503 183399923 /nfs/dbraw/zinc/39/99/23/183399923.db2.gz BSRRVURNVFKAFJ-ZFWWWQNUSA-N 2 1 245.370 2.046 10 0 BEAEMP c1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)nc1 ZINC000037916503 183399925 /nfs/dbraw/zinc/39/99/25/183399925.db2.gz BSRRVURNVFKAFJ-ZFWWWQNUSA-N 2 1 245.370 2.046 10 0 BEAEMP CCC[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000037241731 169281901 /nfs/dbraw/zinc/28/19/01/169281901.db2.gz XYWRZKHWYPJLJI-GFCCVEGCSA-N 2 1 210.365 2.393 10 0 BEAEMP CCC[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000037241731 169281902 /nfs/dbraw/zinc/28/19/02/169281902.db2.gz XYWRZKHWYPJLJI-GFCCVEGCSA-N 2 1 210.365 2.393 10 0 BEAEMP CCCO[C@@H]1CCC[N@H+](CCC[NH2+]C2CC2)C1 ZINC000042424595 169310704 /nfs/dbraw/zinc/31/07/04/169310704.db2.gz OSIDSLGOTNQZDW-CQSZACIVSA-N 2 1 240.391 2.020 10 0 BEAEMP CCCO[C@@H]1CCC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000042424595 169310706 /nfs/dbraw/zinc/31/07/06/169310706.db2.gz OSIDSLGOTNQZDW-CQSZACIVSA-N 2 1 240.391 2.020 10 0 BEAEMP CCCO[C@H]1CCC[N@H+]([C@@H](C)CCC[NH2+]C)C1 ZINC000052371620 169312642 /nfs/dbraw/zinc/31/26/42/169312642.db2.gz LELHJQVBYYIXQO-KBPBESRZSA-N 2 1 242.407 2.266 10 0 BEAEMP C[C@@H]1C[C@@H]([NH3+])[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000068593044 384002974 /nfs/dbraw/zinc/00/29/74/384002974.db2.gz MPGWATXLKGPBOP-MBNYWOFBSA-N 2 1 218.344 2.244 10 0 BEAEMP C[C@@H]1C[C@@H]([NH3+])[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000068593044 384002980 /nfs/dbraw/zinc/00/29/80/384002980.db2.gz MPGWATXLKGPBOP-MBNYWOFBSA-N 2 1 218.344 2.244 10 0 BEAEMP CS[C@H]1CCCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000336460624 383951868 /nfs/dbraw/zinc/95/18/68/383951868.db2.gz OMKRDNQHACRNCX-OLZOCXBDSA-N 2 1 242.432 2.204 10 0 BEAEMP C[C@@H]1CC[C@H]([NH3+])[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000068593068 384001529 /nfs/dbraw/zinc/00/15/29/384001529.db2.gz ULXWOSFIBHNQLH-DYEKYZERSA-N 2 1 218.344 2.387 10 0 BEAEMP C[C@@H]1CC[C@H]([NH3+])[C@H](C)[N@H+]1Cc1ccccc1 ZINC000068593068 384001533 /nfs/dbraw/zinc/00/15/33/384001533.db2.gz ULXWOSFIBHNQLH-DYEKYZERSA-N 2 1 218.344 2.387 10 0 BEAEMP C[N@@H+](C[C@@H]1CCC(F)(F)C1)[C@@H]1CCC[NH2+]CC1 ZINC000302315798 384139896 /nfs/dbraw/zinc/13/98/96/384139896.db2.gz BSXGTXXWHUMIPC-VXGBXAGGSA-N 2 1 246.345 2.496 10 0 BEAEMP C[NH+](C)CC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000095074240 384350481 /nfs/dbraw/zinc/35/04/81/384350481.db2.gz QZSJRXMQIBBGSH-HNNXBMFYSA-N 2 1 232.371 2.460 10 0 BEAEMP [NH3+][C@@H]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000100278990 384630878 /nfs/dbraw/zinc/63/08/78/384630878.db2.gz AHXUSIGCLDCNNO-HUUCEWRRSA-N 2 1 230.355 2.390 10 0 BEAEMP [NH3+][C@@H]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000100278995 384631915 /nfs/dbraw/zinc/63/19/15/384631915.db2.gz AHXUSIGCLDCNNO-CABCVRRESA-N 2 1 230.355 2.390 10 0 BEAEMP CC(C)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH3+] ZINC000076647143 384697907 /nfs/dbraw/zinc/69/79/07/384697907.db2.gz GMILKAIXHXFOEF-KBPBESRZSA-N 2 1 218.344 2.102 10 0 BEAEMP CC(C)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH3+] ZINC000076647143 384697912 /nfs/dbraw/zinc/69/79/12/384697912.db2.gz GMILKAIXHXFOEF-KBPBESRZSA-N 2 1 218.344 2.102 10 0 BEAEMP CC(C)[C@H](C)[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000309670070 384712263 /nfs/dbraw/zinc/71/22/63/384712263.db2.gz JMFBCUIFHDIUMO-NWDGAFQWSA-N 2 1 221.348 2.080 10 0 BEAEMP CC[C@@H]([NH2+]C[C@H](C)[NH+](CC)CC)C1CC1 ZINC000127663692 384910210 /nfs/dbraw/zinc/91/02/10/384910210.db2.gz COGKCRGXSMALCU-WCQYABFASA-N 2 1 212.381 2.495 10 0 BEAEMP c1ccc(C[NH+]2C[C@@H]3C[NH+](C4CC4)C[C@H]3C2)cc1 ZINC000307381771 385319131 /nfs/dbraw/zinc/31/91/31/385319131.db2.gz ZKZHQJHIHJQXOJ-HUUCEWRRSA-N 2 1 242.366 2.213 10 0 BEAEMP CC(C)CCC[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000309616909 385744399 /nfs/dbraw/zinc/74/43/99/385744399.db2.gz OCPILJYVUOKSNA-LBPRGKRZSA-N 2 1 221.348 2.224 10 0 BEAEMP CCc1[nH+]c(C)cn1CCC1CC[NH2+]CC1 ZINC000222940833 386069838 /nfs/dbraw/zinc/06/98/38/386069838.db2.gz FRFBQHZMLXFFMB-UHFFFAOYSA-N 2 1 221.348 2.144 10 0 BEAEMP Cc1ccncc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000135498797 386510369 /nfs/dbraw/zinc/51/03/69/386510369.db2.gz OUWGUTQVNPYCMO-YIONKMFJSA-N 2 1 245.370 2.105 10 0 BEAEMP Cc1ccncc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000135498797 386510375 /nfs/dbraw/zinc/51/03/75/386510375.db2.gz OUWGUTQVNPYCMO-YIONKMFJSA-N 2 1 245.370 2.105 10 0 BEAEMP C[N@@H+](CC1CCCCC1)C[C@@]1(C)CC[NH2+]C1 ZINC000062911741 386532001 /nfs/dbraw/zinc/53/20/01/386532001.db2.gz VANHTBOUHLOTGK-AWEZNQCLSA-N 2 1 224.392 2.498 10 0 BEAEMP C[C@@]1(C[N@H+]2CCc3ccccc3C2)CC[NH2+]C1 ZINC000062910884 386533163 /nfs/dbraw/zinc/53/31/63/386533163.db2.gz QFRNEIPTURIHDI-OAHLLOKOSA-N 2 1 230.355 2.044 10 0 BEAEMP C[N@@H+](C[C@@]1(C)CC[NH2+]C1)C1CCCCC1 ZINC000062910889 386653980 /nfs/dbraw/zinc/65/39/80/386653980.db2.gz KTLZTOLBUYALRS-ZDUSSCGKSA-N 2 1 210.365 2.251 10 0 BEAEMP C[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1ccc(F)c(F)c1 ZINC000422731687 387640508 /nfs/dbraw/zinc/64/05/08/387640508.db2.gz OAGSXVRVOOXANM-IUCAKERBSA-N 2 1 240.297 2.223 10 0 BEAEMP CC(C)CC[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123141700 387656456 /nfs/dbraw/zinc/65/64/56/387656456.db2.gz YZCQQDMLKAWQCE-STQMWFEESA-N 2 1 212.381 2.447 10 0 BEAEMP CC(C)CC[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123141700 387656461 /nfs/dbraw/zinc/65/64/61/387656461.db2.gz YZCQQDMLKAWQCE-STQMWFEESA-N 2 1 212.381 2.447 10 0 BEAEMP CC(C)CC[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000123141700 387656467 /nfs/dbraw/zinc/65/64/67/387656467.db2.gz YZCQQDMLKAWQCE-STQMWFEESA-N 2 1 212.381 2.447 10 0 BEAEMP CC(C)CC[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000123141700 387656474 /nfs/dbraw/zinc/65/64/74/387656474.db2.gz YZCQQDMLKAWQCE-STQMWFEESA-N 2 1 212.381 2.447 10 0 BEAEMP CCSCC[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123215438 387668793 /nfs/dbraw/zinc/66/87/93/387668793.db2.gz MGNJOUBBMRPZRK-NEPJUHHUSA-N 2 1 230.421 2.154 10 0 BEAEMP CCSCC[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123215438 387668795 /nfs/dbraw/zinc/66/87/95/387668795.db2.gz MGNJOUBBMRPZRK-NEPJUHHUSA-N 2 1 230.421 2.154 10 0 BEAEMP CCSCC[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123215438 387668802 /nfs/dbraw/zinc/66/88/02/387668802.db2.gz MGNJOUBBMRPZRK-NEPJUHHUSA-N 2 1 230.421 2.154 10 0 BEAEMP CCSCC[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123215438 387668806 /nfs/dbraw/zinc/66/88/06/387668806.db2.gz MGNJOUBBMRPZRK-NEPJUHHUSA-N 2 1 230.421 2.154 10 0 BEAEMP CC(C)=CC[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123306052 387680982 /nfs/dbraw/zinc/68/09/82/387680982.db2.gz DJBZASGWBJEDBN-OLZOCXBDSA-N 2 1 210.365 2.367 10 0 BEAEMP CC(C)=CC[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123306052 387680989 /nfs/dbraw/zinc/68/09/89/387680989.db2.gz DJBZASGWBJEDBN-OLZOCXBDSA-N 2 1 210.365 2.367 10 0 BEAEMP CC(C)=CC[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123306052 387680996 /nfs/dbraw/zinc/68/09/96/387680996.db2.gz DJBZASGWBJEDBN-OLZOCXBDSA-N 2 1 210.365 2.367 10 0 BEAEMP CC(C)=CC[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123306052 387681003 /nfs/dbraw/zinc/68/10/03/387681003.db2.gz DJBZASGWBJEDBN-OLZOCXBDSA-N 2 1 210.365 2.367 10 0 BEAEMP c1ccc(C2(C[NH2+][C@H]3CC[NH2+]C3)CCCC2)cc1 ZINC000422807583 387704137 /nfs/dbraw/zinc/70/41/37/387704137.db2.gz JYKNWXLYICVJSJ-HNNXBMFYSA-N 2 1 244.382 2.450 10 0 BEAEMP C[C@@H](c1ccccc1F)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000193621529 387860569 /nfs/dbraw/zinc/86/05/69/387860569.db2.gz GICFMGNUNCDREB-RWMBFGLXSA-N 2 1 248.345 2.380 10 0 BEAEMP C[C@H]1c2ccsc2CC[N@@H+]1CCC[NH3+] ZINC000042740266 388445392 /nfs/dbraw/zinc/44/53/92/388445392.db2.gz CEBKBHQLLPJXIW-VIFPVBQESA-N 2 1 210.346 2.016 10 0 BEAEMP CC[N@@H+](C[C@@]1(C)CC[NH2+]C1)[C@H](C)C(C)C ZINC000261550799 135190279 /nfs/dbraw/zinc/19/02/79/135190279.db2.gz PRXVBVOADQYXIK-OLZOCXBDSA-N 2 1 212.381 2.352 10 0 BEAEMP CC[NH+](CC)c1ccc(N2CCC[C@H]([NH3+])C2)cc1 ZINC000057956379 132367472 /nfs/dbraw/zinc/36/74/72/132367472.db2.gz QPWONFMONKKDOE-ZDUSSCGKSA-N 2 1 247.386 2.460 10 0 BEAEMP C[C@@]1(C[N@H+]2CC[C@@H](c3ccccc3)C2)CC[NH2+]C1 ZINC000219865204 134292361 /nfs/dbraw/zinc/29/23/61/134292361.db2.gz MNRPAPMXGASSBW-HZPDHXFCSA-N 2 1 244.382 2.476 10 0 BEAEMP CC[N@@H+](CCNc1cc[nH+]cc1C)C1CC1 ZINC000219963280 134295720 /nfs/dbraw/zinc/29/57/20/134295720.db2.gz SIJYKJFKHNQBJJ-UHFFFAOYSA-N 2 1 219.332 2.286 10 0 BEAEMP CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000222160613 134330143 /nfs/dbraw/zinc/33/01/43/134330143.db2.gz BAOUMAKRZSBJQF-LOWDOPEQSA-N 2 1 210.365 2.247 10 0 BEAEMP CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000222160613 134330144 /nfs/dbraw/zinc/33/01/44/134330144.db2.gz BAOUMAKRZSBJQF-LOWDOPEQSA-N 2 1 210.365 2.247 10 0 BEAEMP CC[N@H+]1CC[C@@H]([NH+]2CCCCC2)[C@@H](C)C1 ZINC000226857769 134369952 /nfs/dbraw/zinc/36/99/52/134369952.db2.gz PPICIUYARLKCGY-QWHCGFSZSA-N 2 1 210.365 2.203 10 0 BEAEMP C[C@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)[C@H]1CCCO1 ZINC000251710174 135074311 /nfs/dbraw/zinc/07/43/11/135074311.db2.gz YDIKTWLMHKGHRG-BFHYXJOUSA-N 2 1 240.391 2.018 10 0 BEAEMP COc1ccc(C[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000258925379 135135419 /nfs/dbraw/zinc/13/54/19/135135419.db2.gz WXCCQSFEQLNDHS-AWEZNQCLSA-N 2 1 248.370 2.254 10 0 BEAEMP COc1ccc(C[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000258925379 135135420 /nfs/dbraw/zinc/13/54/20/135135420.db2.gz WXCCQSFEQLNDHS-AWEZNQCLSA-N 2 1 248.370 2.254 10 0 BEAEMP FC1(F)CCC[C@@H](C[N@@H+]2CCC[NH2+]CC2)C1 ZINC000261533076 135164577 /nfs/dbraw/zinc/16/45/77/135164577.db2.gz GJKDQGRYZRRXAW-LLVKDONJSA-N 2 1 232.318 2.107 10 0 BEAEMP FC1(F)CCC[C@@H](C[N@H+]2CCC[NH2+]CC2)C1 ZINC000261533076 135164579 /nfs/dbraw/zinc/16/45/79/135164579.db2.gz GJKDQGRYZRRXAW-LLVKDONJSA-N 2 1 232.318 2.107 10 0 BEAEMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC000261538295 135175510 /nfs/dbraw/zinc/17/55/10/135175510.db2.gz XHEVUKUFKDFWSI-QJPTWQEYSA-N 2 1 246.345 2.481 10 0 BEAEMP Cc1ccc(F)c([C@@H]([NH3+])CC[NH3+])c1Cl ZINC000307087831 397978827 /nfs/dbraw/zinc/97/88/27/397978827.db2.gz LSEXUWQPQPILKW-QMMMGPOBSA-N 2 1 216.687 2.136 10 0 BEAEMP C[NH+](C)CCC[N@H+]1CCC2(CCCC2)C1 ZINC000584624878 398079469 /nfs/dbraw/zinc/07/94/69/398079469.db2.gz HZWUHSVGVCEKKN-UHFFFAOYSA-N 2 1 210.365 2.204 10 0 BEAEMP C[C@H](C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1)C(C)(C)C ZINC000309270011 410690365 /nfs/dbraw/zinc/69/03/65/410690365.db2.gz CYIAPCIJSFJGBQ-XQHKEYJVSA-N 2 1 224.392 2.338 10 0 BEAEMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000394486490 410795191 /nfs/dbraw/zinc/79/51/91/410795191.db2.gz HSMDQQVNBRFMAU-QJPTWQEYSA-N 2 1 246.345 2.481 10 0 BEAEMP CC(C)[C@H]([NH2+][C@@H]1CCC[NH2+][C@@H]1C)C1CC1 ZINC000396654766 410894187 /nfs/dbraw/zinc/89/41/87/410894187.db2.gz FNPKIMXVFVSYEY-RTXFEEFZSA-N 2 1 210.365 2.151 10 0 BEAEMP C[C@H](Cc1cccs1)[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000396640912 410894694 /nfs/dbraw/zinc/89/46/94/410894694.db2.gz MVHRREMUPQUICM-NTZNESFSSA-N 2 1 238.400 2.409 10 0 BEAEMP CC(C)C[NH2+]C[C@H]1CC[N@H+](Cc2cccnc2)C1 ZINC000053013044 167008072 /nfs/dbraw/zinc/00/80/72/167008072.db2.gz PDDGJLVCAPXPEA-OAHLLOKOSA-N 2 1 247.386 2.149 10 0 BEAEMP CC(C)C[NH2+]C[C@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC000053013044 167008075 /nfs/dbraw/zinc/00/80/75/167008075.db2.gz PDDGJLVCAPXPEA-OAHLLOKOSA-N 2 1 247.386 2.149 10 0 BEAEMP CC(C)C[NH2+][C@@H]1CCC[N@@H+](C(C)(C)C)C1 ZINC000073653472 167011486 /nfs/dbraw/zinc/01/14/86/167011486.db2.gz HGBYUTGBCJBIAV-GFCCVEGCSA-N 2 1 212.381 2.495 10 0 BEAEMP CC(C)C[NH2+][C@@H]1CCC[N@H+](C(C)(C)C)C1 ZINC000073653472 167011488 /nfs/dbraw/zinc/01/14/88/167011488.db2.gz HGBYUTGBCJBIAV-GFCCVEGCSA-N 2 1 212.381 2.495 10 0 BEAEMP CC(C)[N@@H+]1CCc2nc(C(C)(C)[NH3+])sc2C1 ZINC000041059485 167026787 /nfs/dbraw/zinc/02/67/87/167026787.db2.gz JDHNOHXNGHXZIJ-UHFFFAOYSA-N 2 1 239.388 2.103 10 0 BEAEMP CC(C)[N@H+]1CCc2nc(C(C)(C)[NH3+])sc2C1 ZINC000041059485 167026790 /nfs/dbraw/zinc/02/67/90/167026790.db2.gz JDHNOHXNGHXZIJ-UHFFFAOYSA-N 2 1 239.388 2.103 10 0 BEAEMP CC(C)[NH2+]CCCC[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000041681532 167101853 /nfs/dbraw/zinc/10/18/53/167101853.db2.gz MAGJEAUATZZFNU-CYBMUJFWSA-N 2 1 242.407 2.264 10 0 BEAEMP CC(C)[NH2+]CC[N@@H+]1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000309637129 167104544 /nfs/dbraw/zinc/10/45/44/167104544.db2.gz SYNKHLGBIOLEFL-ZIAGYGMSSA-N 2 1 224.392 2.497 10 0 BEAEMP CC(C)[NH2+]CC[N@H+]1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000309637129 167104547 /nfs/dbraw/zinc/10/45/47/167104547.db2.gz SYNKHLGBIOLEFL-ZIAGYGMSSA-N 2 1 224.392 2.497 10 0 BEAEMP CC(C)N[C@@]1(C[NH3+])CCCc2ccccc21 ZINC000050270931 167136204 /nfs/dbraw/zinc/13/62/04/167136204.db2.gz QBZBTMGUYKKTEA-CQSZACIVSA-N 2 1 218.344 2.175 10 0 BEAEMP CC(C)[C@@H](C)[N@@H+](C)Cc1cccc(C(N)=[NH2+])c1 ZINC000036787471 167367935 /nfs/dbraw/zinc/36/79/35/167367935.db2.gz SPNYVQCHSNVESY-LLVKDONJSA-N 2 1 233.359 2.447 10 0 BEAEMP C[N@H+](Cc1ccsc1)C[C@]1(C)CC[NH2+]C1 ZINC000062911180 411328670 /nfs/dbraw/zinc/32/86/70/411328670.db2.gz TWWRUJOIBOSNLB-GFCCVEGCSA-N 2 1 224.373 2.180 10 0 BEAEMP C[N@@H+](Cc1ccsc1)C[C@]1(C)CC[NH2+]C1 ZINC000062911180 411328673 /nfs/dbraw/zinc/32/86/73/411328673.db2.gz TWWRUJOIBOSNLB-GFCCVEGCSA-N 2 1 224.373 2.180 10 0 BEAEMP CCc1nc(NCC2([NH3+])CCCC2)cc(C)[nH+]1 ZINC000656610431 411308541 /nfs/dbraw/zinc/30/85/41/411308541.db2.gz FSRXDZIODZJRID-UHFFFAOYSA-N 2 1 234.347 2.031 10 0 BEAEMP CC1CCC(C[NH2+][C@H]2CCC[NH2+]C2)CC1 ZINC000063144974 168156327 /nfs/dbraw/zinc/15/63/27/168156327.db2.gz ZXVDLJWNVZEGRN-BPCQOVAHSA-N 2 1 210.365 2.154 10 0 BEAEMP CC[C@H]1CN(c2cc[nH+]cc2Cl)CC[C@@H]1[NH3+] ZINC000122989248 411437908 /nfs/dbraw/zinc/43/79/08/411437908.db2.gz ZXAYPIRHSRDFIW-ONGXEEELSA-N 2 1 239.750 2.299 10 0 BEAEMP CC[NH2+]CC(CC)(CC)C[N@@H+](C)[C@@H](C)COC ZINC000051251393 170111260 /nfs/dbraw/zinc/11/12/60/170111260.db2.gz XYQFPLZIPJNVEV-ZDUSSCGKSA-N 2 1 244.423 2.369 10 0 BEAEMP CC[NH2+]C[C@@H]1CCCN(c2cccc(C)[nH+]2)C1 ZINC000053696194 170120074 /nfs/dbraw/zinc/12/00/74/170120074.db2.gz GROKVICPHLOXIP-ZDUSSCGKSA-N 2 1 233.359 2.216 10 0 BEAEMP CC[NH2+]C[C@H]1CC[C@@H](C[N@@H+](C)[C@@H](C)C(C)C)O1 ZINC000052478622 170123743 /nfs/dbraw/zinc/12/37/43/170123743.db2.gz DSVNNSLIOALTQQ-MJBXVCDLSA-N 2 1 242.407 2.120 10 0 BEAEMP CC[NH2+][C@@H]1CCC[C@H]1n1c[nH+]c(C)c1C ZINC000051926866 170151739 /nfs/dbraw/zinc/15/17/39/170151739.db2.gz HLANFZKLEPFFIH-VXGBXAGGSA-N 2 1 207.321 2.203 10 0 BEAEMP CC[NH2+][C@@H]1CCC[C@H]1C[N@H+](C)Cc1cccnc1 ZINC000053867312 170152336 /nfs/dbraw/zinc/15/23/36/170152336.db2.gz BGFJEXBXUSHEMG-LSDHHAIUSA-N 2 1 247.386 2.292 10 0 BEAEMP CC[NH2+][C@@H]1CCC[C@H]1C[N@@H+](C)Cc1cccnc1 ZINC000053867312 170152337 /nfs/dbraw/zinc/15/23/37/170152337.db2.gz BGFJEXBXUSHEMG-LSDHHAIUSA-N 2 1 247.386 2.292 10 0 BEAEMP CC[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccncc2)C[C@@H]1C ZINC000049712771 170152954 /nfs/dbraw/zinc/15/29/54/170152954.db2.gz ALXCYBOZNGOIDG-KCQAQPDRSA-N 2 1 247.386 2.463 10 0 BEAEMP CC[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccncc2)C[C@@H]1C ZINC000049712771 170152955 /nfs/dbraw/zinc/15/29/55/170152955.db2.gz ALXCYBOZNGOIDG-KCQAQPDRSA-N 2 1 247.386 2.463 10 0 BEAEMP CC[NH2+][C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2OC)[C@H](C)C1 ZINC000050374138 170153006 /nfs/dbraw/zinc/15/30/06/170153006.db2.gz LKLLJEMWIRXDDX-SYQHCUMBSA-N 2 1 240.391 2.016 10 0 BEAEMP CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1[N@H+](C)CCCOC ZINC000062031193 170154025 /nfs/dbraw/zinc/15/40/25/170154025.db2.gz DYNWJXPWLATRHL-MJBXVCDLSA-N 2 1 242.407 2.121 10 0 BEAEMP CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1[N@@H+](C)CCCOC ZINC000062031193 170154026 /nfs/dbraw/zinc/15/40/26/170154026.db2.gz DYNWJXPWLATRHL-MJBXVCDLSA-N 2 1 242.407 2.121 10 0 BEAEMP CCOCCC[NH2+]C[C@H](C)[N@H+]1CCC[C@H]1CC ZINC000053447995 170380972 /nfs/dbraw/zinc/38/09/72/170380972.db2.gz DGIPBEGVBUJWMS-UONOGXRCSA-N 2 1 242.407 2.266 10 0 BEAEMP CCOCC[N@H+](CC)[C@@H](C[NH2+]C1CC1)C(C)C ZINC000104187747 170396237 /nfs/dbraw/zinc/39/62/37/170396237.db2.gz NKHBDQVGKHREIF-AWEZNQCLSA-N 2 1 242.407 2.121 10 0 BEAEMP CCOCC[N@@H+](CC)[C@@H](C[NH2+]C1CC1)C(C)C ZINC000104187747 170396239 /nfs/dbraw/zinc/39/62/39/170396239.db2.gz NKHBDQVGKHREIF-AWEZNQCLSA-N 2 1 242.407 2.121 10 0 BEAEMP CC[C@@H]1CC[N@H+](Cc2cccnc2)CC[C@H](C)[NH2+]1 ZINC000049666572 171012634 /nfs/dbraw/zinc/01/26/34/171012634.db2.gz KNMJZHBWBHICSR-DZGCQCFKSA-N 2 1 247.386 2.434 10 0 BEAEMP CC[C@@H]1CC[N@@H+](Cc2cccnc2)CC[C@H](C)[NH2+]1 ZINC000049666572 171012636 /nfs/dbraw/zinc/01/26/36/171012636.db2.gz KNMJZHBWBHICSR-DZGCQCFKSA-N 2 1 247.386 2.434 10 0 BEAEMP CC[C@@H]1C[N@@H+](CCCC[NH2+]C(C)(C)C)CCO1 ZINC000052476889 171078350 /nfs/dbraw/zinc/07/83/50/171078350.db2.gz LGPRIIHGAVAXTR-CYBMUJFWSA-N 2 1 242.407 2.266 10 0 BEAEMP CC[C@@H]1C[N@H+]([C@@H]2CCCCC[C@@H]2C[NH3+])CCO1 ZINC000036769172 171093195 /nfs/dbraw/zinc/09/31/95/171093195.db2.gz ZLXMVSKQOKXIME-MGPQQGTHSA-N 2 1 240.391 2.005 10 0 BEAEMP CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1ccc(C[NH3+])cc1 ZINC000036128043 171114575 /nfs/dbraw/zinc/11/45/75/171114575.db2.gz VAHRTNYUNCWIPU-IUODEOHRSA-N 2 1 248.370 2.145 10 0 BEAEMP CC[C@@](C)(C[NH3+])C[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000051255247 171167167 /nfs/dbraw/zinc/16/71/67/171167167.db2.gz QGTCJSCMBKZRJM-JSGCOSHPSA-N 2 1 242.407 2.108 10 0 BEAEMP CC[C@@]1(C[N@H+]2CCc3ccccc3C2)CC[NH2+]C1 ZINC000062910886 171211311 /nfs/dbraw/zinc/21/13/11/171211311.db2.gz ZQOYGXBRYNEWQC-MRXNPFEDSA-N 2 1 244.382 2.434 10 0 BEAEMP C[N@H+](C[C@H]1CCCCC1(F)F)CC(C)(C)[NH3+] ZINC000662295292 412083481 /nfs/dbraw/zinc/08/34/81/412083481.db2.gz PCWFOTHQFPAHSK-SNVBAGLBSA-N 2 1 234.334 2.481 10 0 BEAEMP C[N@@H+](C[C@H]1CCCCC1(F)F)CC(C)(C)[NH3+] ZINC000662295292 412083484 /nfs/dbraw/zinc/08/34/84/412083484.db2.gz PCWFOTHQFPAHSK-SNVBAGLBSA-N 2 1 234.334 2.481 10 0 BEAEMP CC[C@H](C)[N@H+]1CCCN[C@H](CC(C)C)C1 ZINC000062571076 171317961 /nfs/dbraw/zinc/31/79/61/171317961.db2.gz SUZDCVPYYDEPOR-QWHCGFSZSA-N 2 1 212.381 2.495 10 0 BEAEMP CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000360014112 171367130 /nfs/dbraw/zinc/36/71/30/171367130.db2.gz ILBKASAITFPKFN-QJPTWQEYSA-N 2 1 221.348 2.222 10 0 BEAEMP CCc1[nH+]ccn1[C@H](C[NH3+])c1ccccc1OC ZINC000043098872 172029168 /nfs/dbraw/zinc/02/91/68/172029168.db2.gz ZHZWYTVUOWFOIN-GFCCVEGCSA-N 2 1 245.326 2.002 10 0 BEAEMP CCc1[nH+]ccn1[C@H](c1ccsc1)[C@@H](C)[NH3+] ZINC000043124267 172029536 /nfs/dbraw/zinc/02/95/36/172029536.db2.gz OIZROEMEJNARAH-SKDRFNHKSA-N 2 1 235.356 2.444 10 0 BEAEMP CCc1[nH+]ccn1[C@@H]1CCCC[C@H]1[NH2+]C ZINC000044037466 172029742 /nfs/dbraw/zinc/02/97/42/172029742.db2.gz YJFRFDGJGUAAJU-GHMZBOCLSA-N 2 1 207.321 2.149 10 0 BEAEMP CCc1[nH+]ccn1[C@@H](c1cccs1)[C@@H](C)[NH3+] ZINC000043107472 172029994 /nfs/dbraw/zinc/02/99/94/172029994.db2.gz ZSBGBWXDDSALRC-BXKDBHETSA-N 2 1 235.356 2.444 10 0 BEAEMP CCc1[nH+]ccn1[C@H](C[NH3+])c1cccc(F)c1 ZINC000042973270 172030091 /nfs/dbraw/zinc/03/00/91/172030091.db2.gz DIXSPQDYOQQGGN-GFCCVEGCSA-N 2 1 233.290 2.133 10 0 BEAEMP C[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2CCF)CC1 ZINC000336771304 172997909 /nfs/dbraw/zinc/99/79/09/172997909.db2.gz ULEZIZFQPPZNCD-WCQYABFASA-N 2 1 228.355 2.199 10 0 BEAEMP C[N@@H+]1CCC[C@H](C[NH3+])[C@H]1c1ccccc1F ZINC000082363306 173041734 /nfs/dbraw/zinc/04/17/34/173041734.db2.gz FYNALUKBINOCMK-MFKMUULPSA-N 2 1 222.307 2.167 10 0 BEAEMP C[N@H+]1CCC[C@H](C[NH3+])[C@H]1c1ccccc1F ZINC000082363306 173041739 /nfs/dbraw/zinc/04/17/39/173041739.db2.gz FYNALUKBINOCMK-MFKMUULPSA-N 2 1 222.307 2.167 10 0 BEAEMP C[N@H+]1CCC[C@H]([C@@H]([NH3+])c2ccccc2)C1 ZINC000101136408 173048969 /nfs/dbraw/zinc/04/89/69/173048969.db2.gz BINAJLITODPBLY-STQMWFEESA-N 2 1 204.317 2.028 10 0 BEAEMP C[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3ccccc32)C1 ZINC000037646159 173118422 /nfs/dbraw/zinc/11/84/22/173118422.db2.gz PPJNBJFARYDRJT-SWLSCSKDSA-N 2 1 230.355 2.215 10 0 BEAEMP C[N@H+]1CC[C@H](C[NH2+]C2CC(c3ccccc3)C2)C1 ZINC000037646658 173146927 /nfs/dbraw/zinc/14/69/27/173146927.db2.gz LNOFJRSUBGOHEP-IUDNXUCKSA-N 2 1 244.382 2.474 10 0 BEAEMP C[N@H+]1CC[C@H]([NH3+])[C@H](Cc2ccc(Cl)cc2)C1 ZINC000082328973 173148731 /nfs/dbraw/zinc/14/87/31/173148731.db2.gz NMVIYJIRSMGZDN-YPMHNXCESA-N 2 1 238.762 2.162 10 0 BEAEMP C[NH2+]CC1(C[N@H+]2CCC[C@@H](C)C2)CCCC1 ZINC000051210080 173337984 /nfs/dbraw/zinc/33/79/84/173337984.db2.gz RCLDDIRUIVPPNL-CYBMUJFWSA-N 2 1 224.392 2.498 10 0 BEAEMP C[NH2+]CC1(C[N@H+]2CC[C@@H](C)C2)CCCCC1 ZINC000051250002 173338086 /nfs/dbraw/zinc/33/80/86/173338086.db2.gz WBXUGYIJJRHJPF-CYBMUJFWSA-N 2 1 224.392 2.498 10 0 BEAEMP C[NH2+]C[C@H]1CC[N@H+]([C@H](C)C2CCCCC2)C1 ZINC000053035306 173381685 /nfs/dbraw/zinc/38/16/85/173381685.db2.gz GQMPSKQIBLIPAI-CHWSQXEVSA-N 2 1 224.392 2.497 10 0 BEAEMP C[NH2+]Cc1cc(C[N@H+]2CCC[C@@H](C)CC2)on1 ZINC000104356439 173386476 /nfs/dbraw/zinc/38/64/76/173386476.db2.gz JVMPHPMPAPAHHD-LLVKDONJSA-N 2 1 237.347 2.016 10 0 BEAEMP C[NH2+]Cc1ccccc1C[N@@H+](CCOC)C1CC1 ZINC000052542539 173390311 /nfs/dbraw/zinc/39/03/11/173390311.db2.gz HHPJHKNKDXDASF-UHFFFAOYSA-N 2 1 248.370 2.017 10 0 BEAEMP C[NH2+]Cc1nc(C[N@@H+]2CCCC[C@H]2C)cs1 ZINC000052378457 173394616 /nfs/dbraw/zinc/39/46/16/173394616.db2.gz ZHEOCNFGPSVBAI-SNVBAGLBSA-N 2 1 239.388 2.237 10 0 BEAEMP C[NH2+]Cc1nc(C[N@H+]2CCCC[C@H]2C)cs1 ZINC000052378457 173394617 /nfs/dbraw/zinc/39/46/17/173394617.db2.gz ZHEOCNFGPSVBAI-SNVBAGLBSA-N 2 1 239.388 2.237 10 0 BEAEMP COCCCC[N@H+]1CC[C@@H](C[NH2+]C(C)(C)C)C1 ZINC000053033710 174192839 /nfs/dbraw/zinc/19/28/39/174192839.db2.gz ORCXEQHFGNBUPY-ZDUSSCGKSA-N 2 1 242.407 2.123 10 0 BEAEMP COCCCC[N@H+]1CC[C@H](C[NH2+]C(C)(C)C)C1 ZINC000053033712 174194353 /nfs/dbraw/zinc/19/43/53/174194353.db2.gz ORCXEQHFGNBUPY-CYBMUJFWSA-N 2 1 242.407 2.123 10 0 BEAEMP COCC[N@@H+](C1CC1)C1(C[NH3+])CCC(C)CC1 ZINC000042517882 174284477 /nfs/dbraw/zinc/28/44/77/174284477.db2.gz XNYFVPJFWKRBJK-UHFFFAOYSA-N 2 1 240.391 2.005 10 0 BEAEMP COCC[N@@H+](C1CC1)[C@]1(C[NH3+])CCC[C@H](C)C1 ZINC000042517875 174285316 /nfs/dbraw/zinc/28/53/16/174285316.db2.gz VSRJVFGSANNGDK-GXTWGEPZSA-N 2 1 240.391 2.005 10 0 BEAEMP COCC[N@@H+](CCCCCC[NH3+])[C@@H](C)C1CC1 ZINC000042689383 174290607 /nfs/dbraw/zinc/29/06/07/174290607.db2.gz GLEFVKPDGYQGKB-ZDUSSCGKSA-N 2 1 242.407 2.252 10 0 BEAEMP COc1ccccc1C[N@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000062911587 175324618 /nfs/dbraw/zinc/32/46/18/175324618.db2.gz HMTJZDPDAPWKRT-HNNXBMFYSA-N 2 1 248.370 2.127 10 0 BEAEMP COc1ccccc1C[N@@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000062911587 175324620 /nfs/dbraw/zinc/32/46/20/175324620.db2.gz HMTJZDPDAPWKRT-HNNXBMFYSA-N 2 1 248.370 2.127 10 0 BEAEMP COc1ccccc1[C@@H]([C@@H](C)[NH3+])n1cc[nH+]c1C ZINC000043098685 175348913 /nfs/dbraw/zinc/34/89/13/175348913.db2.gz BBUVFTPIWHAMQQ-QMTHXVAHSA-N 2 1 245.326 2.137 10 0 BEAEMP C[C@@H](c1ccc[nH]1)[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000095068220 176017022 /nfs/dbraw/zinc/01/70/22/176017022.db2.gz STGUCIUDWFWLNH-NWDGAFQWSA-N 2 1 221.348 2.007 10 0 BEAEMP C[C@@H](c1ccc[nH]1)[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000095068220 176017023 /nfs/dbraw/zinc/01/70/23/176017023.db2.gz STGUCIUDWFWLNH-NWDGAFQWSA-N 2 1 221.348 2.007 10 0 BEAEMP C[C@@H](c1ccccc1)[N@@H+]1C[C@H](C[NH3+])OC(C)(C)C1 ZINC000034679642 176021924 /nfs/dbraw/zinc/02/19/24/176021924.db2.gz ZOAMJHJHQLZVFS-JSGCOSHPSA-N 2 1 248.370 2.186 10 0 BEAEMP C[C@@H](c1ccccc1)[N@H+]1C[C@H](C[NH3+])OC(C)(C)C1 ZINC000034679642 176021926 /nfs/dbraw/zinc/02/19/26/176021926.db2.gz ZOAMJHJHQLZVFS-JSGCOSHPSA-N 2 1 248.370 2.186 10 0 BEAEMP C[C@@H](c1ccccc1)[N@H+]1CCC[NH2+][C@H](C)C1 ZINC000062609101 176022280 /nfs/dbraw/zinc/02/22/80/176022280.db2.gz GLJUBZMTNAQDNG-OLZOCXBDSA-N 2 1 218.344 2.431 10 0 BEAEMP C[C@@H]1CC(C)(C)C[C@@](C[NH3+])([NH2+]C2CC2)C1 ZINC000050271072 176052476 /nfs/dbraw/zinc/05/24/76/176052476.db2.gz ZFEMCQQENHKGCO-MFKMUULPSA-N 2 1 210.365 2.282 10 0 BEAEMP C[C@@H]1CCCC[N@@H+]1Cc1ccoc1C[NH3+] ZINC000052378757 176074461 /nfs/dbraw/zinc/07/44/61/176074461.db2.gz CDZVPMKDVFVWQB-SNVBAGLBSA-N 2 1 208.305 2.113 10 0 BEAEMP C[C@@H]1CCCC[N@H+]1Cc1ccoc1C[NH3+] ZINC000052378757 176074463 /nfs/dbraw/zinc/07/44/63/176074463.db2.gz CDZVPMKDVFVWQB-SNVBAGLBSA-N 2 1 208.305 2.113 10 0 BEAEMP C[C@@H]1CCCC[C@H]1[N@@H+](C)Cc1cc(C[NH3+])no1 ZINC000052546783 176086457 /nfs/dbraw/zinc/08/64/57/176086457.db2.gz PAPRFCMAHHTBNA-ZWNOBZJWSA-N 2 1 237.347 2.144 10 0 BEAEMP C[C@@H]1CC[N@@H+](CC2CCCC2)CCC[NH2+]1 ZINC000049666001 176168890 /nfs/dbraw/zinc/16/88/90/176168890.db2.gz QVCYXJWECYHROR-GFCCVEGCSA-N 2 1 210.365 2.251 10 0 BEAEMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1CCC(C)(C)C ZINC000042427493 176202152 /nfs/dbraw/zinc/20/21/52/176202152.db2.gz UQKOUERYGKPTGQ-NEPJUHHUSA-N 2 1 212.381 2.482 10 0 BEAEMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1ccccc1 ZINC000042427362 176202922 /nfs/dbraw/zinc/20/29/22/176202922.db2.gz TYQOEBOKARBTQU-OCCSQVGLSA-N 2 1 218.344 2.246 10 0 BEAEMP C[C@@H]1C[NH2+]CCC[N@H+](Cc2ccccc2F)C1 ZINC000049664517 176324092 /nfs/dbraw/zinc/32/40/92/176324092.db2.gz NOKVERNGXBPIBW-GFCCVEGCSA-N 2 1 236.334 2.257 10 0 BEAEMP C[C@@H]1C[NH2+]CCC[N@@H+](Cc2ccccc2F)C1 ZINC000049664517 176324094 /nfs/dbraw/zinc/32/40/94/176324094.db2.gz NOKVERNGXBPIBW-GFCCVEGCSA-N 2 1 236.334 2.257 10 0 BEAEMP C[C@@H]1C[NH2+]CCC[N@H+](C2CCCCC2)C1 ZINC000049665030 176324606 /nfs/dbraw/zinc/32/46/06/176324606.db2.gz MBOQMLQPOQGJCS-GFCCVEGCSA-N 2 1 210.365 2.251 10 0 BEAEMP C[C@@H]1C[C@@H]([N@@H+](C)CCOC(C)(C)C)CCN1C ZINC000123661274 176371163 /nfs/dbraw/zinc/37/11/63/176371163.db2.gz ZRDTXMRCKUHXIB-OLZOCXBDSA-N 2 1 242.407 2.216 10 0 BEAEMP C[C@@H]1C[C@@H]([NH+](C)CCOC(C)(C)C)CC[N@@H+]1C ZINC000123661274 176371164 /nfs/dbraw/zinc/37/11/64/176371164.db2.gz ZRDTXMRCKUHXIB-OLZOCXBDSA-N 2 1 242.407 2.216 10 0 BEAEMP C[C@@H]1C[C@@H]([NH+](C)CCOC(C)(C)C)CC[N@H+]1C ZINC000123661274 176371166 /nfs/dbraw/zinc/37/11/66/176371166.db2.gz ZRDTXMRCKUHXIB-OLZOCXBDSA-N 2 1 242.407 2.216 10 0 BEAEMP C[C@H](c1ccco1)[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000095068223 177047339 /nfs/dbraw/zinc/04/73/39/177047339.db2.gz GVTKPXADRRXCPK-VXGBXAGGSA-N 2 1 222.332 2.272 10 0 BEAEMP C[C@H](c1ccco1)[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000095068223 177047340 /nfs/dbraw/zinc/04/73/40/177047340.db2.gz GVTKPXADRRXCPK-VXGBXAGGSA-N 2 1 222.332 2.272 10 0 BEAEMP C[C@H](c1ccco1)[NH+]1CCC[NH2+]CCC1 ZINC000049666205 177049415 /nfs/dbraw/zinc/04/94/15/177049415.db2.gz ILXMQZVHHSMZIW-LLVKDONJSA-N 2 1 208.305 2.026 10 0 BEAEMP C[C@H]1CCCC[C@@]1(C[NH3+])[N@H+](C)Cc1ccncc1 ZINC000036775727 177085670 /nfs/dbraw/zinc/08/56/70/177085670.db2.gz ZZDBJKTZMIKCAJ-ZFWWWQNUSA-N 2 1 247.386 2.421 10 0 BEAEMP C[C@H]1CCCC[C@@]1(C[NH3+])[N@@H+](C)Cc1ccncc1 ZINC000036775727 177085671 /nfs/dbraw/zinc/08/56/71/177085671.db2.gz ZZDBJKTZMIKCAJ-ZFWWWQNUSA-N 2 1 247.386 2.421 10 0 BEAEMP C[C@H]1CCC[N@H+]1Cc1ccc(C(N)=[NH2+])cc1F ZINC000037911067 177110290 /nfs/dbraw/zinc/11/02/90/177110290.db2.gz JSMRXWKKEWHQAV-VIFPVBQESA-N 2 1 235.306 2.094 10 0 BEAEMP C[C@H]1CCC[N@H+]1Cc1cc(C[NH3+])ccc1F ZINC000037910076 177111001 /nfs/dbraw/zinc/11/10/01/177111001.db2.gz VSSWZXRNMNPJGC-JTQLQIEISA-N 2 1 222.307 2.269 10 0 BEAEMP C[C@H]1CCC[N@@H+]1[C@@H](CN)c1ccc(F)cc1 ZINC000037910270 177112323 /nfs/dbraw/zinc/11/23/23/177112323.db2.gz FHPMANAUHCRLIN-GWCFXTLKSA-N 2 1 222.307 2.310 10 0 BEAEMP C[C@H]1CCC[N@H+]1[C@@H](CN)c1ccc(F)cc1 ZINC000037910270 177112324 /nfs/dbraw/zinc/11/23/24/177112324.db2.gz FHPMANAUHCRLIN-GWCFXTLKSA-N 2 1 222.307 2.310 10 0 BEAEMP C[C@@H]1CC[N@H+](CCc2ccncc2)CC[C@H](C)[NH2+]1 ZINC000049666811 177162365 /nfs/dbraw/zinc/16/23/65/177162365.db2.gz BPEJRLWFICLCFM-OKILXGFUSA-N 2 1 247.386 2.087 10 0 BEAEMP C[C@@H]1CC[N@@H+](Cc2ccccn2)CC[C@H](C)[NH2+]1 ZINC000049666517 177165064 /nfs/dbraw/zinc/16/50/64/177165064.db2.gz GGZSFOUYDYQNTR-BETUJISGSA-N 2 1 233.359 2.044 10 0 BEAEMP C[C@@H]1CC[N@H+](Cc2ccccn2)CC[C@H](C)[NH2+]1 ZINC000049666517 177165066 /nfs/dbraw/zinc/16/50/66/177165066.db2.gz GGZSFOUYDYQNTR-BETUJISGSA-N 2 1 233.359 2.044 10 0 BEAEMP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1CCC(C)(C)C ZINC000042427494 177189537 /nfs/dbraw/zinc/18/95/37/177189537.db2.gz UQKOUERYGKPTGQ-RYUDHWBXSA-N 2 1 212.381 2.482 10 0 BEAEMP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1CC1CCCC1 ZINC000042427488 177201183 /nfs/dbraw/zinc/20/11/83/177201183.db2.gz PPPDKNRTKUJMCH-WCQYABFASA-N 2 1 210.365 2.236 10 0 BEAEMP C[C@@H]1CO[C@@H](C)C[N@H+]1CCCC[NH2+]C(C)(C)C ZINC000052476236 177247881 /nfs/dbraw/zinc/24/78/81/177247881.db2.gz YJUJCCXTFNVEIQ-OLZOCXBDSA-N 2 1 242.407 2.264 10 0 BEAEMP C[C@H]1C[N@H+]([C@@H]2CCOc3ccccc32)CC[C@@H]1[NH3+] ZINC000051987312 177274697 /nfs/dbraw/zinc/27/46/97/177274697.db2.gz CGPKWJIFCNYTEK-FPMFFAJLSA-N 2 1 246.354 2.179 10 0 BEAEMP C[C@@H]1C[N@@H+]([C@@H]2CCCCC[C@@H]2C[NH3+])C[C@H](C)O1 ZINC000037157216 177275579 /nfs/dbraw/zinc/27/55/79/177275579.db2.gz UPXAXZZNSBLZRV-XJFOESAGSA-N 2 1 240.391 2.003 10 0 BEAEMP C[C@H]1C[NH2+]CCC[N@H+](Cc2ccccc2F)C1 ZINC000049664519 177282190 /nfs/dbraw/zinc/28/21/90/177282190.db2.gz NOKVERNGXBPIBW-LBPRGKRZSA-N 2 1 236.334 2.257 10 0 BEAEMP C[C@H]1C[NH2+]CCC[N@@H+](Cc2ccccc2F)C1 ZINC000049664519 177282192 /nfs/dbraw/zinc/28/21/92/177282192.db2.gz NOKVERNGXBPIBW-LBPRGKRZSA-N 2 1 236.334 2.257 10 0 BEAEMP C[C@H]1COCC[N@H+]1CCCCC[NH2+]C(C)(C)C ZINC000052476030 177290566 /nfs/dbraw/zinc/29/05/66/177290566.db2.gz OZFNRKKNVSVKPX-ZDUSSCGKSA-N 2 1 242.407 2.266 10 0 BEAEMP C[C@@H]1C[C@H](C)C[N@H+](CC2CCC([NH3+])CC2)C1 ZINC000037482396 177313214 /nfs/dbraw/zinc/31/32/14/177313214.db2.gz BFWJAEKFMYPDBD-VTXSZYRJSA-N 2 1 224.392 2.482 10 0 BEAEMP C[C@@H]1C[C@H](C)C[N@@H+](CC[NH2+]C2CCCC2)C1 ZINC000037482399 177313728 /nfs/dbraw/zinc/31/37/28/177313728.db2.gz ZOFDBNNSTAHXMK-BETUJISGSA-N 2 1 224.392 2.497 10 0 BEAEMP C[C@@H]1C[C@H](C)C[N@H+](CC[NH2+]C2CCCC2)C1 ZINC000037482399 177313730 /nfs/dbraw/zinc/31/37/30/177313730.db2.gz ZOFDBNNSTAHXMK-BETUJISGSA-N 2 1 224.392 2.497 10 0 BEAEMP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccoc2C[NH3+])C1 ZINC000052420664 177314570 /nfs/dbraw/zinc/31/45/70/177314570.db2.gz KQUWQTLHPQKKMX-PHIMTYICSA-N 2 1 222.332 2.216 10 0 BEAEMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccoc2C[NH3+])C1 ZINC000052420664 177314571 /nfs/dbraw/zinc/31/45/71/177314571.db2.gz KQUWQTLHPQKKMX-PHIMTYICSA-N 2 1 222.332 2.216 10 0 BEAEMP C[C@H]1C[C@@H]([NH3+])[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000068593050 177326584 /nfs/dbraw/zinc/32/65/84/177326584.db2.gz MPGWATXLKGPBOP-SGMGOOAPSA-N 2 1 218.344 2.244 10 0 BEAEMP C[C@H]1C[C@@H]([NH3+])[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000068593050 177326585 /nfs/dbraw/zinc/32/65/85/177326585.db2.gz MPGWATXLKGPBOP-SGMGOOAPSA-N 2 1 218.344 2.244 10 0 BEAEMP CC(C)[C@H](C)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228537129 487672324 /nfs/dbraw/zinc/67/23/24/487672324.db2.gz UEHYAJPLXYWUHC-WUHRBBMRSA-N 2 1 210.365 2.090 10 0 BEAEMP CC[NH+](CC)[C@H](C)C[NH2+]C(C1CC1)C1CC1 ZINC000127518491 324771974 /nfs/dbraw/zinc/77/19/74/324771974.db2.gz JLPTUDQNMFAMDD-LLVKDONJSA-N 2 1 224.392 2.495 10 0 BEAEMP COC[C@@H](C)C[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000131691332 325178009 /nfs/dbraw/zinc/17/80/09/325178009.db2.gz VEJMSLYHMSGBAR-ZDUSSCGKSA-N 2 1 242.407 2.123 10 0 BEAEMP CC[NH+](CC)[C@@H](C)C[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000382048197 487530507 /nfs/dbraw/zinc/53/05/07/487530507.db2.gz BDNJXNJFCWFHCZ-FQUUOJAGSA-N 2 1 224.392 2.495 10 0 BEAEMP COCC[C@H](C)[N@H+]1CCC[C@]12CC[C@@H](C)[NH2+]C2 ZINC000757129521 582503936 /nfs/dbraw/zinc/50/39/36/582503936.db2.gz LVPKSLOZKOSVLV-HZSPNIEDSA-N 2 1 240.391 2.018 10 0 BEAEMP C[N@H+]1CCC[C@]2(CC1)[NH2+][C@H](C(C)(C)C)CCO2 ZINC000757141652 582522305 /nfs/dbraw/zinc/52/23/05/582522305.db2.gz PQRGPTKUGIKWPX-JSGCOSHPSA-N 2 1 240.391 2.223 10 0 BEAEMP C[C@H]([NH2+]Cc1ccccc1Cl)[C@H]1CC[NH2+]C1 ZINC000400764472 533934687 /nfs/dbraw/zinc/93/46/87/533934687.db2.gz YYLMASQBKLDUNB-QWRGUYRKSA-N 2 1 238.762 2.428 10 0 BEAEMP CC(C)C[N@H+]1CC[C@H]([NH+]2CCCC2)[C@H](C)C1 ZINC000073654308 517418732 /nfs/dbraw/zinc/41/87/32/517418732.db2.gz GKTCJDLUNONRIG-KGLIPLIRSA-N 2 1 224.392 2.449 10 0 BEAEMP CCC[NH2+][C@@H]1CC[N@@H+](CC(C)C)[C@@H](C)C1 ZINC000219777163 520021820 /nfs/dbraw/zinc/02/18/20/520021820.db2.gz ZVUSKHBWKOLQFT-QWHCGFSZSA-N 2 1 212.381 2.495 10 0 BEAEMP CCC[NH2+][C@H]1CC[N@@H+](CC(C)C)[C@@H](C)C1 ZINC000219777237 520094195 /nfs/dbraw/zinc/09/41/95/520094195.db2.gz ZVUSKHBWKOLQFT-STQMWFEESA-N 2 1 212.381 2.495 10 0 BEAEMP C[C@@H]1C[N@H+]([C@H]2CCC2(C)C)C[C@@]1(C)C[NH3+] ZINC000309052181 534478308 /nfs/dbraw/zinc/47/83/08/534478308.db2.gz QJKXAUYGRPZINF-NTZNESFSSA-N 2 1 210.365 2.092 10 0 BEAEMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]([NH3+])[C@H]1C ZINC000238854307 525013263 /nfs/dbraw/zinc/01/32/63/525013263.db2.gz NMWRIHNNQCIKCJ-MBNYWOFBSA-N 2 1 218.344 2.102 10 0 BEAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]([NH3+])[C@H]1C ZINC000238854307 525013278 /nfs/dbraw/zinc/01/32/78/525013278.db2.gz NMWRIHNNQCIKCJ-MBNYWOFBSA-N 2 1 218.344 2.102 10 0 BEAEMP C[C@@H]1C[C@H]([NH3+])C[N@H+](Cc2ccccc2)[C@H]1C ZINC000238854459 525417982 /nfs/dbraw/zinc/41/79/82/525417982.db2.gz NVIRYIHNKWLTFW-DYEKYZERSA-N 2 1 218.344 2.244 10 0 BEAEMP C[C@@H]1C[C@H]([NH3+])C[N@@H+](Cc2ccccc2)[C@H]1C ZINC000238854459 525417990 /nfs/dbraw/zinc/41/79/90/525417990.db2.gz NVIRYIHNKWLTFW-DYEKYZERSA-N 2 1 218.344 2.244 10 0 BEAEMP CCC[N@H+]1CC[C@H]([NH3+])[C@]12CCCC[C@@H]2C ZINC000685952968 566487157 /nfs/dbraw/zinc/48/71/57/566487157.db2.gz DLXASSDQAPWPNV-RWMBFGLXSA-N 2 1 210.365 2.378 10 0 BEAEMP CC[C@H]1CCC[N@H+]1[C@H]1[C@H](C)C[NH2+]C[C@@H]1C ZINC000685951933 566486855 /nfs/dbraw/zinc/48/68/55/566486855.db2.gz ZJBBRRYOAUXZNT-QNWHQSFQSA-N 2 1 210.365 2.105 10 0 BEAEMP CC[C@@H]1CCC[N@H+]1C1[C@H](C)C[NH2+]C[C@H]1C ZINC000685951932 566486920 /nfs/dbraw/zinc/48/69/20/566486920.db2.gz ZJBBRRYOAUXZNT-IJLUTSLNSA-N 2 1 210.365 2.105 10 0 BEAEMP C[C@@H](C1CC1)[N@H+]1CCC[C@@]12C[NH2+]C[C@@H](C)C2 ZINC000757131250 582505708 /nfs/dbraw/zinc/50/57/08/582505708.db2.gz PXKVBVDERKLGGI-SGMGOOAPSA-N 2 1 222.376 2.249 10 0 BEAEMP C[C@H](C1CC1)[N@H+]1CCC[C@]12CN1CCC2CC1 ZINC000757132340 582506815 /nfs/dbraw/zinc/50/68/15/582506815.db2.gz QYZFLWZPVYOHKN-IUODEOHRSA-N 2 1 234.387 2.345 10 0 BEAEMP C[C@@H](C1CC1)[N@H+]1CCC[C@@]12CN1CCC2CC1 ZINC000757132389 582506981 /nfs/dbraw/zinc/50/69/81/582506981.db2.gz QYZFLWZPVYOHKN-WFASDCNBSA-N 2 1 234.387 2.345 10 0 BEAEMP C[C@@H]1[NH2+]CCC[C@]12CCC[N@H+]2CCC1CC1 ZINC000757133764 582510476 /nfs/dbraw/zinc/51/04/76/582510476.db2.gz UEEGGKJLMWBYIS-JSGCOSHPSA-N 2 1 222.376 2.393 10 0 BEAEMP CC1(C)CC2(CC(C)(C)[NH2+]1)[NH2+]CCC(C)(C)O2 ZINC000757145726 582528543 /nfs/dbraw/zinc/52/85/43/582528543.db2.gz ILGXQAPUNDGYDX-UHFFFAOYSA-N 2 1 240.391 2.412 10 0 BEAEMP CC1(C)C[NH2+]C2(C[C@H]3CC[C@@H](C2)[NH2+]3)OC1(C)C ZINC000757146335 582529917 /nfs/dbraw/zinc/52/99/17/582529917.db2.gz QYLYBEBAWYUGLH-BVUQATHDSA-N 2 1 238.375 2.022 10 0 BEAEMP C[C@@H]1CC[C@@]2(CCC[N@H+]2CC2CC2)C[NH2+]1 ZINC000757129733 586426225 /nfs/dbraw/zinc/42/62/25/586426225.db2.gz MUVWJIRIDRPGMR-YPMHNXCESA-N 2 1 208.349 2.003 10 0 BEAEMP C[C@@H](C[N@@H+]1CC[C@H]1C[NH3+])C1CCCCC1 ZINC000757146431 586429043 /nfs/dbraw/zinc/42/90/43/586429043.db2.gz QMVSFERFCUOUOF-AAEUAGOBSA-N 2 1 210.365 2.236 10 0 BEAEMP C[C@@H](C[N@H+]1CC[C@H]1C[NH3+])C1CCCCC1 ZINC000757146431 586429045 /nfs/dbraw/zinc/42/90/45/586429045.db2.gz QMVSFERFCUOUOF-AAEUAGOBSA-N 2 1 210.365 2.236 10 0 BEAEMP C[C@@H]1C[C@H]([NH3+])C[NH2+][C@@H]1c1cccc2cc[nH]c21 ZINC000757218277 586441674 /nfs/dbraw/zinc/44/16/74/586441674.db2.gz UVPNDTQWTUYJTK-CDMKHQONSA-N 2 1 229.327 2.166 10 0 BEAEMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCSC2)C1 ZINC000128247387 590949843 /nfs/dbraw/zinc/94/98/43/590949843.db2.gz BBEPVTJNTYGMKM-CHWSQXEVSA-N 2 1 242.432 2.204 10 0 BEAEMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCSC2)C1 ZINC000128250605 590951049 /nfs/dbraw/zinc/95/10/49/590951049.db2.gz ZOYKUHONFDUCMS-CHWSQXEVSA-N 2 1 242.432 2.204 10 0 BEAEMP CCC(CC)C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000129184820 631464790 /nfs/dbraw/zinc/46/47/90/631464790.db2.gz ROVTWRBUJWSQQL-DGCLKSJQSA-N 2 1 212.381 2.339 10 0 BEAEMP CC(C)C[N@@H+](CCC[NH2+]C1CC1)C1CC1 ZINC000042559257 631732013 /nfs/dbraw/zinc/73/20/13/631732013.db2.gz GAUAJLAHHZOZKT-UHFFFAOYSA-N 2 1 210.365 2.249 10 0 BEAEMP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+][C@H]1COc2ccccc21 ZINC000251244515 632544341 /nfs/dbraw/zinc/54/43/41/632544341.db2.gz SURSCSRVBNRQJR-BZPMIXESSA-N 2 1 246.354 2.240 10 0 BEAEMP C[C@H]1C[N@@H+](CCc2ccccc2)CC[C@@H]1C[NH3+] ZINC000122309177 633206606 /nfs/dbraw/zinc/20/66/06/633206606.db2.gz RYAXDYAIASELGX-DZGCQCFKSA-N 2 1 232.371 2.146 10 0 BEAEMP CCC/C=C\C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000096742773 644833951 /nfs/dbraw/zinc/83/39/51/644833951.db2.gz CGYAQKXXUQVUIO-PLNGDYQASA-N 2 1 222.376 2.418 10 0 BEAEMP CCC[C@H](C)C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037485302 712650872 /nfs/dbraw/zinc/65/08/72/712650872.db2.gz BXPNRSGGPVBGPE-STQMWFEESA-N 2 1 224.392 2.497 10 0 BEAEMP C[N@@H+](CCCC(C)(F)F)[C@@H]1CCC[NH2+]CC1 ZINC000718570159 712774919 /nfs/dbraw/zinc/77/49/19/712774919.db2.gz IUZUKDAEDCCHIE-LLVKDONJSA-N 2 1 234.334 2.496 10 0 BEAEMP C[C@@H]1C[N@@H+](CC2CCCCC2)CC[C@@H]1C[NH3+] ZINC000133092740 710967716 /nfs/dbraw/zinc/96/77/16/710967716.db2.gz FCPMWKGCNOGEJL-TZMCWYRMSA-N 2 1 224.392 2.483 10 0 BEAEMP CC[C@@H]1C[C@H]1C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000723079600 711499524 /nfs/dbraw/zinc/49/95/24/711499524.db2.gz NQGJVXGMOAWURN-AGIUHOORSA-N 2 1 210.365 2.106 10 0 BEAEMP C[C@H]1C[N@H+](Cc2cc(Cl)cs2)C[C@@H]1C[NH3+] ZINC000708862485 712201337 /nfs/dbraw/zinc/20/13/37/712201337.db2.gz HEQORARWJNFYEJ-IUCAKERBSA-N 2 1 244.791 2.428 10 0 BEAEMP C[C@H]1C[N@@H+](Cc2cc(Cl)cs2)C[C@@H]1C[NH3+] ZINC000708862485 712201339 /nfs/dbraw/zinc/20/13/39/712201339.db2.gz HEQORARWJNFYEJ-IUCAKERBSA-N 2 1 244.791 2.428 10 0 BEAEMP CCc1cc(N2CCC([NH3+])(CC)CC2)nc(C)[nH+]1 ZINC000714753268 712497411 /nfs/dbraw/zinc/49/74/11/712497411.db2.gz YGHSONWPLFPMKF-UHFFFAOYSA-N 2 1 248.374 2.055 10 0 BEAEMP c1cc(N[C@@H]2CC[N@H+]3CCCC[C@H]23)cc[nH+]1 ZINC000049568930 1171705522 /nfs/dbraw/zinc/70/55/22/1171705522.db2.gz OEWYGVRZCRTKIU-CHWSQXEVSA-N 2 1 217.316 2.120 10 0 BEAEMP C[C@H]1C[C@]2(CC(C)(C)C1)[C@H]([NH3+])CC[N@H+]2C ZINC000685953896 538898807 /nfs/dbraw/zinc/89/88/07/538898807.db2.gz JGJGYTQWQJVRNP-WZRBSPASSA-N 2 1 210.365 2.234 10 0 BEAEMP CC(C)c1ccc([C@@H]2C[NH2+]C[C@@]2(C)[NH3+])cc1 ZINC000685965887 538912555 /nfs/dbraw/zinc/91/25/55/538912555.db2.gz XXUKHTJOCHAUOP-UONOGXRCSA-N 2 1 218.344 2.214 10 0 BEAEMP CCC[N@@H+](C)Cc1cc(F)cc(C[NH3+])c1 ZINC000162823938 538925366 /nfs/dbraw/zinc/92/53/66/538925366.db2.gz AZUUPGPZAHWKHT-UHFFFAOYSA-N 2 1 210.296 2.126 10 0 BEAEMP Cc1cc([C@@H]2[C@@H](C[NH3+])CCC[N@@H+]2C)ccc1F ZINC000070277773 178242540 /nfs/dbraw/zinc/24/25/40/178242540.db2.gz WLMNERYBWILJIC-TZMCWYRMSA-N 2 1 236.334 2.476 10 0 BEAEMP FC1(F)CCCC[C@H]1C[N@@H+]1CCC[NH2+]CC1 ZINC000381729043 398254685 /nfs/dbraw/zinc/25/46/85/398254685.db2.gz SLDWPTHUWFQBKQ-NSHDSACASA-N 2 1 232.318 2.107 10 0 BEAEMP FC1(F)CCCC[C@H]1C[N@H+]1CCC[NH2+]CC1 ZINC000381729043 398254692 /nfs/dbraw/zinc/25/46/92/398254692.db2.gz SLDWPTHUWFQBKQ-NSHDSACASA-N 2 1 232.318 2.107 10 0 BEAEMP Fc1ccc(C[NH2+]C[C@@H]2CC[NH2+]C2)c(Cl)c1 ZINC000398342401 398340025 /nfs/dbraw/zinc/34/00/25/398340025.db2.gz HHXMPMYADWLJLW-SECBINFHSA-N 2 1 242.725 2.178 10 0 BEAEMP CCC[C@@H](C)[NH2+]C[C@H](C)[NH+](CC)CC ZINC000053485999 346902161 /nfs/dbraw/zinc/90/21/61/346902161.db2.gz VKPIRMDZMKWPTK-NEPJUHHUSA-N 2 1 200.370 2.495 10 0 BEAEMP CCCC[N@H+]1CC[C@@H]([NH2+]C2CC2)C[C@@H]1C ZINC000073656077 187261339 /nfs/dbraw/zinc/26/13/39/187261339.db2.gz SMBBDDCAEVIFFW-WCQYABFASA-N 2 1 210.365 2.391 10 0 BEAEMP C[N@@H+]1CCC[C@@]2(CC1)[NH2+]CCc1ccsc12 ZINC000712541940 537792963 /nfs/dbraw/zinc/79/29/63/537792963.db2.gz HIHWLQSBOUQDPS-ZDUSSCGKSA-N 2 1 236.384 2.205 10 0 BEAEMP C[N@H+]1CCC[C@@]2(CC1)[NH2+]CCc1ccsc12 ZINC000712541940 537792968 /nfs/dbraw/zinc/79/29/68/537792968.db2.gz HIHWLQSBOUQDPS-ZDUSSCGKSA-N 2 1 236.384 2.205 10 0 BEAEMP C[NH2+][C@@H](C)CC[N@@H+](C)Cc1ccccc1 ZINC000043816450 344236734 /nfs/dbraw/zinc/23/67/34/344236734.db2.gz KNVLQNQYALCQEX-LBPRGKRZSA-N 2 1 206.333 2.116 10 0 BEAEMP c1ccc(CC[N@@H+]2CCC[C@@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000115957946 344722693 /nfs/dbraw/zinc/72/26/93/344722693.db2.gz HIJHWAJALGSHLA-HZPDHXFCSA-N 2 1 244.382 2.303 10 0 BEAEMP c1ccc(CC[N@H+]2CCC[C@@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000115957946 344722696 /nfs/dbraw/zinc/72/26/96/344722696.db2.gz HIJHWAJALGSHLA-HZPDHXFCSA-N 2 1 244.382 2.303 10 0 BEAEMP C[C@H](c1ccco1)[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000247964680 344992859 /nfs/dbraw/zinc/99/28/59/344992859.db2.gz GVTKPXADRRXCPK-NEPJUHHUSA-N 2 1 222.332 2.272 10 0 BEAEMP C[C@H](c1ccco1)[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000247964680 344992861 /nfs/dbraw/zinc/99/28/61/344992861.db2.gz GVTKPXADRRXCPK-NEPJUHHUSA-N 2 1 222.332 2.272 10 0 BEAEMP COc1ccc(C[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)cc1C ZINC000634998153 345197373 /nfs/dbraw/zinc/19/73/73/345197373.db2.gz BMDVDFQNAVSIOM-OCCSQVGLSA-N 2 1 248.370 2.030 10 0 BEAEMP CCc1ccc(C[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)s1 ZINC000634998168 345197409 /nfs/dbraw/zinc/19/74/09/345197409.db2.gz BTJGHYYNNDMFQW-MNOVXSKESA-N 2 1 238.400 2.337 10 0 BEAEMP C[C@H]1C[N@@H+](CC(C)(C)c2ccccc2)C[C@H]1C[NH3+] ZINC000634998957 345199012 /nfs/dbraw/zinc/19/90/12/345199012.db2.gz NMMOAAJGRCWMJB-UONOGXRCSA-N 2 1 246.398 2.491 10 0 BEAEMP Cc1[nH+]ccn1-c1ccccc1[C@@H](C)[NH3+] ZINC000019872900 187314192 /nfs/dbraw/zinc/31/41/92/187314192.db2.gz LRQQSIAIKWKYAP-SECBINFHSA-N 2 1 201.273 2.200 10 0 BEAEMP Cc1cccc(CC[N@@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)c1 ZINC000054628453 187318371 /nfs/dbraw/zinc/31/83/71/187318371.db2.gz BETOKMYQIYGBHZ-MQVJKMGUSA-N 2 1 244.382 2.492 10 0 BEAEMP Cc1cccc(C[N@@H+]2CCC[NH2+][C@H](C)C2)c1 ZINC000062609096 179074692 /nfs/dbraw/zinc/07/46/92/179074692.db2.gz DEYSSRPXHOJXDJ-CYBMUJFWSA-N 2 1 218.344 2.179 10 0 BEAEMP Cc1cccc(C[N@H+]2CCC[NH2+][C@H](C)C2)c1 ZINC000062609096 179074695 /nfs/dbraw/zinc/07/46/95/179074695.db2.gz DEYSSRPXHOJXDJ-CYBMUJFWSA-N 2 1 218.344 2.179 10 0 BEAEMP CCC(CC)[NH2+][C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000725241905 537981976 /nfs/dbraw/zinc/98/19/76/537981976.db2.gz VTTKHQBNQVMILI-OLZOCXBDSA-N 2 1 210.365 2.391 10 0 BEAEMP CCC(CC)[NH2+][C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000725241905 537981984 /nfs/dbraw/zinc/98/19/84/537981984.db2.gz VTTKHQBNQVMILI-OLZOCXBDSA-N 2 1 210.365 2.391 10 0 BEAEMP C[N@@H+](Cc1cc(Cl)cc(C[NH3+])c1)C1CC1 ZINC000669380191 537984916 /nfs/dbraw/zinc/98/49/16/537984916.db2.gz UXGPOCSSGJEHJC-UHFFFAOYSA-N 2 1 224.735 2.393 10 0 BEAEMP C[C@@H]1C[N@H+](C(C2CC2)C2CC2)C[C@@]1(C)C[NH3+] ZINC000380729190 347267688 /nfs/dbraw/zinc/26/76/88/347267688.db2.gz PYRNKNDFFAKANV-QMTHXVAHSA-N 2 1 222.376 2.092 10 0 BEAEMP Cc1ccccc1C[N@@H+](C)[C@H]1CCC[C@@H]1[NH3+] ZINC000042436032 179270720 /nfs/dbraw/zinc/27/07/20/179270720.db2.gz GQXZYQXXBBFNNQ-KBPBESRZSA-N 2 1 218.344 2.307 10 0 BEAEMP Cc1ccccc1C[N@H+](C)[C@H]1CCC[C@@H]1[NH3+] ZINC000042436032 179270722 /nfs/dbraw/zinc/27/07/22/179270722.db2.gz GQXZYQXXBBFNNQ-KBPBESRZSA-N 2 1 218.344 2.307 10 0 BEAEMP Cc1ccccc1C[N@H+](C)C[C@@H]1C[NH2+]C[C@@H]1C ZINC000104213303 179268988 /nfs/dbraw/zinc/26/89/88/179268988.db2.gz SSVDUVPVOMMYDF-ZFWWWQNUSA-N 2 1 232.371 2.282 10 0 BEAEMP Cc1ccccc1C[N@@H+]1CCC[NH2+]C[C@H](C)C1 ZINC000049666757 179274443 /nfs/dbraw/zinc/27/44/43/179274443.db2.gz RWKCPYUNAWJFMF-ZDUSSCGKSA-N 2 1 232.371 2.426 10 0 BEAEMP Cc1ccccc1[C@@H](C)[N@H+]1CCC[NH2+]CC1 ZINC000022100905 179318224 /nfs/dbraw/zinc/31/82/24/179318224.db2.gz WJUIMHAJTSIFDX-CYBMUJFWSA-N 2 1 218.344 2.351 10 0 BEAEMP Cc1ccccc1[C@H](C)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000049526093 179335243 /nfs/dbraw/zinc/33/52/43/179335243.db2.gz AOFCKLMJEGXDGQ-QWHCGFSZSA-N 2 1 218.344 2.337 10 0 BEAEMP Cc1[nH+]ccn1[C@H](c1ccccc1C)[C@@H](C)[NH3+] ZINC000043037732 179346979 /nfs/dbraw/zinc/34/69/79/179346979.db2.gz FAKCYUYFGZZVQF-RISCZKNCSA-N 2 1 229.327 2.437 10 0 BEAEMP Cc1ccc[nH+]c1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000158365817 179395562 /nfs/dbraw/zinc/39/55/62/179395562.db2.gz JPPBQPKXWUUMQF-CHWSQXEVSA-N 2 1 231.343 2.429 10 0 BEAEMP Cc1ccc[nH+]c1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000158365817 179395557 /nfs/dbraw/zinc/39/55/57/179395557.db2.gz JPPBQPKXWUUMQF-CHWSQXEVSA-N 2 1 231.343 2.429 10 0 BEAEMP Cc1ccsc1[C@@H]([C@H](C)[NH3+])n1cc[nH+]c1C ZINC000043249114 179553814 /nfs/dbraw/zinc/55/38/14/179553814.db2.gz JEDSPOTXTWBMMA-GXSJLCMTSA-N 2 1 235.356 2.498 10 0 BEAEMP CC[C@@H]1CCC[C@@H]1[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000309197135 350167395 /nfs/dbraw/zinc/16/73/95/350167395.db2.gz LYGUXWYXDUDSJQ-YIYPIFLZSA-N 2 1 224.392 2.482 10 0 BEAEMP C[C@H](Cc1ccccc1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000062179949 350223980 /nfs/dbraw/zinc/22/39/80/350223980.db2.gz FTIJVWUYXLEMTG-UKRRQHHQSA-N 2 1 232.371 2.288 10 0 BEAEMP C[C@@H]1CCCC[N@H+]1[C@H]1CCC[C@@H](C[NH3+])C1 ZINC000252156717 538084079 /nfs/dbraw/zinc/08/40/79/538084079.db2.gz NKGDPTOUTPIVSK-UPJWGTAASA-N 2 1 210.365 2.378 10 0 BEAEMP Cc1[nH+]ccn1Cc1cc(C[NH2+]C(C)C)co1 ZINC000052576139 180269082 /nfs/dbraw/zinc/26/90/82/180269082.db2.gz RZBFVWFYRNXLCJ-UHFFFAOYSA-N 2 1 233.315 2.331 10 0 BEAEMP Cc1[nH+]ccn1[C@@H](c1ccsc1)[C@H](C)[NH3+] ZINC000043124118 180270699 /nfs/dbraw/zinc/27/06/99/180270699.db2.gz GNFCWGAHTBUQKH-GZMMTYOYSA-N 2 1 221.329 2.190 10 0 BEAEMP Cc1[nH+]ccn1[C@H](c1ccccc1F)[C@H](C)[NH3+] ZINC000043046126 180270801 /nfs/dbraw/zinc/27/08/01/180270801.db2.gz UMBZKDATENRKFE-ZANVPECISA-N 2 1 233.290 2.267 10 0 BEAEMP Cc1[nH+]ccn1[C@H](c1cccs1)[C@@H](C)[NH3+] ZINC000043107024 180271146 /nfs/dbraw/zinc/27/11/46/180271146.db2.gz UNPLLYGCDHEOGU-KCJUWKMLSA-N 2 1 221.329 2.190 10 0 BEAEMP Cc1[nH+]ccn1[C@@H](C[NH3+])c1cccc(Cl)c1 ZINC000043016619 180271170 /nfs/dbraw/zinc/27/11/70/180271170.db2.gz VJKBENFIQUIXNG-LBPRGKRZSA-N 2 1 235.718 2.393 10 0 BEAEMP Cc1[nH+]ccn1[C@@H](c1cccc(F)c1)[C@H](C)[NH3+] ZINC000042973155 180272108 /nfs/dbraw/zinc/27/21/08/180272108.db2.gz MQCRFLSXJNETHD-TVQRCGJNSA-N 2 1 233.290 2.267 10 0 BEAEMP C[C@@H]1CCCC[N@H+]1[C@H]1CCC[C@H](C[NH3+])C1 ZINC000252156713 538083918 /nfs/dbraw/zinc/08/39/18/538083918.db2.gz NKGDPTOUTPIVSK-AGIUHOORSA-N 2 1 210.365 2.378 10 0 BEAEMP Cc1[nH+]cn(CC[NH2+]C2CCCC2)c1C ZINC000053536005 180287937 /nfs/dbraw/zinc/28/79/37/180287937.db2.gz YSZFORCZPPFSHY-UHFFFAOYSA-N 2 1 207.321 2.032 10 0 BEAEMP Cc1[nH+]cn([C@H](C[NH3+])c2cccc(F)c2)c1C ZINC000051925876 180288849 /nfs/dbraw/zinc/28/88/49/180288849.db2.gz NBCVFBSPEZXJLZ-CYBMUJFWSA-N 2 1 233.290 2.187 10 0 BEAEMP Cc1[nH+]cn([C@@H]2Cc3ccccc3[C@@H]2[NH3+])c1C ZINC000051926449 180289275 /nfs/dbraw/zinc/28/92/75/180289275.db2.gz LDMPNTXERQRTJD-KGLIPLIRSA-N 2 1 227.311 2.297 10 0 BEAEMP Cc1[nH+]cn([C@H](c2ccco2)[C@@H](C)[NH3+])c1C ZINC000051925856 180289914 /nfs/dbraw/zinc/28/99/14/180289914.db2.gz WDUPEBQEOUGWGX-PELKAZGASA-N 2 1 219.288 2.030 10 0 BEAEMP CC[N@H+]1CCC[C@@H]([C@@H]2CCCCC[NH2+]2)C1 ZINC000039101443 350332611 /nfs/dbraw/zinc/33/26/11/350332611.db2.gz SJSOQIPWFQABOH-OLZOCXBDSA-N 2 1 210.365 2.251 10 0 BEAEMP CC(C)(C)[NH+]1CCC(c2cc[nH+]c(N)c2)CC1 ZINC000616619335 350926463 /nfs/dbraw/zinc/92/64/63/350926463.db2.gz HWCYCHAVFYZKFH-UHFFFAOYSA-N 2 1 233.359 2.472 10 0 BEAEMP [NH3+]CC[N@@H+]1CCC[C@H]1c1cccc2ncccc21 ZINC000616631030 351104342 /nfs/dbraw/zinc/10/43/42/351104342.db2.gz FNEDPZZDSNVAON-HNNXBMFYSA-N 2 1 241.338 2.330 10 0 BEAEMP [NH3+]CC[N@H+]1CCC[C@H]1c1cccc2ncccc21 ZINC000616631030 351104345 /nfs/dbraw/zinc/10/43/45/351104345.db2.gz FNEDPZZDSNVAON-HNNXBMFYSA-N 2 1 241.338 2.330 10 0 BEAEMP CC(C)Cc1ccc([C@@H]2C[NH2+]C[C@]2(C)[NH3+])cc1 ZINC000725268174 538100294 /nfs/dbraw/zinc/10/02/94/538100294.db2.gz ILNIERQBQMZVQH-GJZGRUSLSA-N 2 1 232.371 2.289 10 0 BEAEMP CC(C)Cc1ccc([C@@H]2C[NH2+]C[C@@]2(C)[NH3+])cc1 ZINC000725268176 538100333 /nfs/dbraw/zinc/10/03/33/538100333.db2.gz ILNIERQBQMZVQH-LSDHHAIUSA-N 2 1 232.371 2.289 10 0 BEAEMP C[C@H]1C[NH2+]CC[C@@H]1[N@@H+](C)Cc1ccccc1 ZINC000307384498 352511435 /nfs/dbraw/zinc/51/14/35/352511435.db2.gz ITVSTUGUEOABOT-JSGCOSHPSA-N 2 1 218.344 2.116 10 0 BEAEMP C[NH2+][C@@H]1CC[N@H+](CCc2ccsc2)[C@@H](C)C1 ZINC000049713602 188298622 /nfs/dbraw/zinc/29/86/22/188298622.db2.gz PTIDRIHEKABQRC-WCQYABFASA-N 2 1 238.400 2.363 10 0 BEAEMP C[NH2+][C@@H]1CC[N@@H+](CCc2ccsc2)[C@@H](C)C1 ZINC000049713602 188298623 /nfs/dbraw/zinc/29/86/23/188298623.db2.gz PTIDRIHEKABQRC-WCQYABFASA-N 2 1 238.400 2.363 10 0 BEAEMP C[C@@H]1C[NH2+][C@H](C)CC[N@H+](Cc2ccco2)C1 ZINC000049664339 188299273 /nfs/dbraw/zinc/29/92/73/188299273.db2.gz BZDBMEBSTGHCTD-VXGBXAGGSA-N 2 1 222.332 2.100 10 0 BEAEMP C[C@@H]1C[NH2+][C@H](C)CC[N@@H+](Cc2ccco2)C1 ZINC000049664339 188299275 /nfs/dbraw/zinc/29/92/75/188299275.db2.gz BZDBMEBSTGHCTD-VXGBXAGGSA-N 2 1 222.332 2.100 10 0 BEAEMP C[C@@H]1C[NH2+][C@H](C)CC[N@H+](CCC(F)(F)F)C1 ZINC000063101193 188303829 /nfs/dbraw/zinc/30/38/29/188303829.db2.gz UVHFEUZJAZZGPH-NXEZZACHSA-N 2 1 238.297 2.259 10 0 BEAEMP C[C@@H]1C[NH2+][C@H](C)CC[N@@H+](CCC(F)(F)F)C1 ZINC000063101193 188303830 /nfs/dbraw/zinc/30/38/30/188303830.db2.gz UVHFEUZJAZZGPH-NXEZZACHSA-N 2 1 238.297 2.259 10 0 BEAEMP [NH2+]=C1c2ccccc2CN1[C@H]1CC[N@H+]2CCC[C@H]12 ZINC000049568790 181207685 /nfs/dbraw/zinc/20/76/85/181207685.db2.gz LBVVYPBMGIKTEE-KGLIPLIRSA-N 2 1 241.338 2.064 10 0 BEAEMP Cc1ccc([C@H]2C[C@@H]([NH3+])CC[N@H+]2C)cc1F ZINC000675055462 538475792 /nfs/dbraw/zinc/47/57/92/538475792.db2.gz STKLGMBJIWJYFK-WCQYABFASA-N 2 1 222.307 2.228 10 0 BEAEMP Cc1ccc([C@H]2C[C@@H]([NH3+])CC[N@@H+]2C)cc1F ZINC000675055462 538475795 /nfs/dbraw/zinc/47/57/95/538475795.db2.gz STKLGMBJIWJYFK-WCQYABFASA-N 2 1 222.307 2.228 10 0 BEAEMP C[C@@H]1CCC[N@H+](C2CC3(C2)CC[NH2+]CC3)C1 ZINC000675069463 538498284 /nfs/dbraw/zinc/49/82/84/538498284.db2.gz HLEHDHRPAJPWHG-GFCCVEGCSA-N 2 1 222.376 2.251 10 0 BEAEMP CC(C)CC[NH2+]CC[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000126581244 538534154 /nfs/dbraw/zinc/53/41/54/538534154.db2.gz QESKYQWFYFAFKQ-ZIAGYGMSSA-N 2 1 224.392 2.354 10 0 BEAEMP CC(C)[NH2+]CC[N@@H+]1CCC2(CCCC2)C1 ZINC000193452123 357082163 /nfs/dbraw/zinc/08/21/63/357082163.db2.gz GPQMMPTWOPVLGW-UHFFFAOYSA-N 2 1 210.365 2.251 10 0 BEAEMP CC(C)[NH2+]CC[N@H+]1CCC2(CCCC2)C1 ZINC000193452123 357082164 /nfs/dbraw/zinc/08/21/64/357082164.db2.gz GPQMMPTWOPVLGW-UHFFFAOYSA-N 2 1 210.365 2.251 10 0 BEAEMP CC(C)=CC[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123305787 357222931 /nfs/dbraw/zinc/22/29/31/357222931.db2.gz DJBZASGWBJEDBN-CHWSQXEVSA-N 2 1 210.365 2.367 10 0 BEAEMP CC(C)=CC[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123305787 357222932 /nfs/dbraw/zinc/22/29/32/357222932.db2.gz DJBZASGWBJEDBN-CHWSQXEVSA-N 2 1 210.365 2.367 10 0 BEAEMP CC(C)=CC[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123305787 357222934 /nfs/dbraw/zinc/22/29/34/357222934.db2.gz DJBZASGWBJEDBN-CHWSQXEVSA-N 2 1 210.365 2.367 10 0 BEAEMP CC(C)=CC[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123305787 357222935 /nfs/dbraw/zinc/22/29/35/357222935.db2.gz DJBZASGWBJEDBN-CHWSQXEVSA-N 2 1 210.365 2.367 10 0 BEAEMP CCC[N@@H+](C(C)C)C1[C@@H](C)C[NH2+]C[C@@H]1C ZINC000685950984 538894411 /nfs/dbraw/zinc/89/44/11/538894411.db2.gz KPHRFJLPWKCAEX-RYUDHWBXSA-N 2 1 212.381 2.351 10 0 BEAEMP C[C@@H]1C[NH2+]C[C@@H](C)C1[N@H+]1CCCC[C@@H]1C ZINC000685951050 538894489 /nfs/dbraw/zinc/89/44/89/538894489.db2.gz MIQVNLQGAQUFAL-UTUOFQBUSA-N 2 1 210.365 2.105 10 0 BEAEMP C[C@@H]1C[NH2+]C[C@H](C)[C@H]1[N@H+]1CCC[C@@H](C)[C@@H]1C ZINC000685951777 538895183 /nfs/dbraw/zinc/89/51/83/538895183.db2.gz YBEXMWBJOJKQSU-DGTMBMJNSA-N 2 1 224.392 2.351 10 0 BEAEMP CC(C)(C[NH3+])CNc1cc[nH+]cc1Cl ZINC000168946384 357999557 /nfs/dbraw/zinc/99/95/57/357999557.db2.gz ZINMYKWZEQZORI-UHFFFAOYSA-N 2 1 213.712 2.132 10 0 BEAEMP CCc1ccc(C[NH+]2CCC([NH2+]C)CC2)s1 ZINC000220109021 358019150 /nfs/dbraw/zinc/01/91/50/358019150.db2.gz CHPCDLWAIPSWSI-UHFFFAOYSA-N 2 1 238.400 2.494 10 0 BEAEMP CCC[C@H](C)C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000044534183 358389622 /nfs/dbraw/zinc/38/96/22/358389622.db2.gz CMIZHRJPQDOQCX-QWHCGFSZSA-N 2 1 212.381 2.354 10 0 BEAEMP CC(=[NH2+])N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000306571230 360457786 /nfs/dbraw/zinc/45/77/86/360457786.db2.gz GVHHBRRVHYGCAV-WFASDCNBSA-N 2 1 245.370 2.484 10 0 BEAEMP Cc1ccc(Cl)c([C@H]([NH3+])CC[NH3+])c1F ZINC000306628979 361296802 /nfs/dbraw/zinc/29/68/02/361296802.db2.gz DEWMZBFXIZMDNQ-MRVPVSSYSA-N 2 1 216.687 2.136 10 0 BEAEMP Cc1ccc([C@@H]2C[C@H]([NH3+])CC[N@@H+]2C)cc1C ZINC000074081387 541313050 /nfs/dbraw/zinc/31/30/50/541313050.db2.gz YYSUSENLHFYVJK-KGLIPLIRSA-N 2 1 218.344 2.397 10 0 BEAEMP CCC(C)(C)CC[N@H+]1C[C@@H](OC)C[C@]1(C)C[NH3+] ZINC000630357197 364079892 /nfs/dbraw/zinc/07/98/92/364079892.db2.gz COTQNSZZEDMAQW-GXTWGEPZSA-N 2 1 242.407 2.251 10 0 BEAEMP CO[C@@H]1C[N@@H+](CCC2CCCC2)[C@@](C)(C[NH3+])C1 ZINC000630363759 364080864 /nfs/dbraw/zinc/08/08/64/364080864.db2.gz ZIOILAOVMCNSPB-UONOGXRCSA-N 2 1 240.391 2.005 10 0 BEAEMP CC[C@H](C)C[NH2+]CC[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000725271570 541339869 /nfs/dbraw/zinc/33/98/69/541339869.db2.gz HTNBNWPJAAOCNT-BFHYXJOUSA-N 2 1 224.392 2.354 10 0 BEAEMP Cc1cccc(N[C@H]2CC[C@H](C[NH3+])CC2)[nH+]1 ZINC000630556368 364251614 /nfs/dbraw/zinc/25/16/14/364251614.db2.gz FEYMVCRRIQFRTJ-HAQNSBGRSA-N 2 1 219.332 2.319 10 0 BEAEMP [NH3+]CC1([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000083328861 181361600 /nfs/dbraw/zinc/36/16/00/181361600.db2.gz MCUXYVYLUVNMKC-CQSZACIVSA-N 2 1 230.355 2.247 10 0 BEAEMP [NH3+]CC[N@H+](C[C@H]1CCCO1)CC1CCCCC1 ZINC000076622623 181390802 /nfs/dbraw/zinc/39/08/02/181390802.db2.gz STNCYDWNJZFAAM-CQSZACIVSA-N 2 1 240.391 2.006 10 0 BEAEMP [NH3+]CC[N@@H+](C[C@H]1CCCO1)CC1CCCCC1 ZINC000076622623 181390803 /nfs/dbraw/zinc/39/08/03/181390803.db2.gz STNCYDWNJZFAAM-CQSZACIVSA-N 2 1 240.391 2.006 10 0 BEAEMP C[C@H](c1ccncc1)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000383426266 367620351 /nfs/dbraw/zinc/62/03/51/367620351.db2.gz CGXPBFGSQVVZRJ-YRGRVCCFSA-N 2 1 233.359 2.059 10 0 BEAEMP CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000386173633 367924544 /nfs/dbraw/zinc/92/45/44/367924544.db2.gz WUQZWJZLGABMMU-LOWDOPEQSA-N 2 1 210.365 2.295 10 0 BEAEMP C[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C[C@H]1[NH3+] ZINC000101417853 368383922 /nfs/dbraw/zinc/38/39/22/368383922.db2.gz JZDOXTQRTHHGOG-MBNYWOFBSA-N 2 1 218.344 2.244 10 0 BEAEMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@H]1[NH3+] ZINC000101417853 368383928 /nfs/dbraw/zinc/38/39/28/368383928.db2.gz JZDOXTQRTHHGOG-MBNYWOFBSA-N 2 1 218.344 2.244 10 0 BEAEMP COc1cccc([C@H](C)[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000631840134 372636799 /nfs/dbraw/zinc/63/67/99/372636799.db2.gz PWIAYWFXDQKFHQ-MBNYWOFBSA-N 2 1 248.370 2.283 10 0 BEAEMP C[C@@H]1C[N@@H+](Cc2ccccc2Cl)C[C@@H]1C[NH3+] ZINC000631844033 372642627 /nfs/dbraw/zinc/64/26/27/372642627.db2.gz DXBHQLGCDSWKSM-PWSUYJOCSA-N 2 1 238.762 2.367 10 0 BEAEMP CC[C@@H](C)[C@H]([NH3+])C[NH2+]Cc1ccccc1 ZINC000040409695 373241078 /nfs/dbraw/zinc/24/10/78/373241078.db2.gz PPGAIVBQDXBIEF-DGCLKSJQSA-N 2 1 206.333 2.150 10 0 BEAEMP CCC[N@@H+](C)C[C@H]1CC[C@H](C[NH2+]CC(C)C)O1 ZINC000052444590 169079137 /nfs/dbraw/zinc/07/91/37/169079137.db2.gz UMZTWFFETYLYOI-ZIAGYGMSSA-N 2 1 242.407 2.121 10 0 BEAEMP CCC[N@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000068590735 169191059 /nfs/dbraw/zinc/19/10/59/169191059.db2.gz VQBZYKSDBIFFKV-OLZOCXBDSA-N 2 1 210.365 2.251 10 0 BEAEMP CCC[N@H+]1CC[C@@H]([NH2+]C(C)(C)C)[C@H](C)C1 ZINC000073653965 169206395 /nfs/dbraw/zinc/20/63/95/169206395.db2.gz UQUJSJQFNFSMPR-VXGBXAGGSA-N 2 1 212.381 2.495 10 0 BEAEMP CCC[N@@H+]1CCc2nc([C@H]([NH3+])CC)sc2C1 ZINC000041059230 169208484 /nfs/dbraw/zinc/20/84/84/169208484.db2.gz PZRXRJIIIICFPN-SECBINFHSA-N 2 1 239.388 2.321 10 0 BEAEMP CCC[N@H+]1CCc2nc([C@H]([NH3+])CC)sc2C1 ZINC000041059230 169208485 /nfs/dbraw/zinc/20/84/85/169208485.db2.gz PZRXRJIIIICFPN-SECBINFHSA-N 2 1 239.388 2.321 10 0 BEAEMP c1cc2c(cc[nH+]c2C[C@@H]2CCC[NH2+]C2)[nH]1 ZINC000089220620 183363410 /nfs/dbraw/zinc/36/34/10/183363410.db2.gz YOTBTKLEMRUORY-JTQLQIEISA-N 2 1 215.300 2.105 10 0 BEAEMP CCC[NH2+]C[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000053651181 169262635 /nfs/dbraw/zinc/26/26/35/169262635.db2.gz HPSYNWKNUIZUGZ-ZDUSSCGKSA-N 2 1 212.381 2.497 10 0 BEAEMP CCC[NH2+]C[C@@H]1CCCC[N@H+]1CC(C)C ZINC000053651181 169262637 /nfs/dbraw/zinc/26/26/37/169262637.db2.gz HPSYNWKNUIZUGZ-ZDUSSCGKSA-N 2 1 212.381 2.497 10 0 BEAEMP CCC[NH2+][C@@H](C)[C@H](C)[N@H+](C)C[C@@H]1CCCOC1 ZINC000104198531 169276453 /nfs/dbraw/zinc/27/64/53/169276453.db2.gz PSFWFCHPLKBDBW-IHRRRGAJSA-N 2 1 242.407 2.121 10 0 BEAEMP CCC[NH2+][C@@H](C)[C@H](C)[N@@H+](C)C[C@@H]1CCCOC1 ZINC000104198531 169276454 /nfs/dbraw/zinc/27/64/54/169276454.db2.gz PSFWFCHPLKBDBW-IHRRRGAJSA-N 2 1 242.407 2.121 10 0 BEAEMP CCC[NH2+][C@@H]1CC[N@@H+](CC(C)C)[C@H](C)C1 ZINC000049709035 169281649 /nfs/dbraw/zinc/28/16/49/169281649.db2.gz ZVUSKHBWKOLQFT-CHWSQXEVSA-N 2 1 212.381 2.495 10 0 BEAEMP CCCO[C@@H]1CCC[N@@H+](C2(C[NH3+])CCCC2)C1 ZINC000042421294 169310941 /nfs/dbraw/zinc/31/09/41/169310941.db2.gz OEUFJLAQYDTYAE-CYBMUJFWSA-N 2 1 240.391 2.149 10 0 BEAEMP CCCO[C@@H]1CCC[N@H+](C2(C[NH3+])CCCC2)C1 ZINC000042421294 169310943 /nfs/dbraw/zinc/31/09/43/169310943.db2.gz OEUFJLAQYDTYAE-CYBMUJFWSA-N 2 1 240.391 2.149 10 0 BEAEMP CCCO[C@@H]1CCC[N@@H+]([C@@H](C[NH3+])[C@@H](C)CC)C1 ZINC000042421152 169311898 /nfs/dbraw/zinc/31/18/98/169311898.db2.gz UVGZPGBCGJOPQS-MJBXVCDLSA-N 2 1 242.407 2.251 10 0 BEAEMP CCCO[C@@H]1CCC[N@H+]([C@@H](C[NH3+])[C@@H](C)CC)C1 ZINC000042421152 169311900 /nfs/dbraw/zinc/31/19/00/169311900.db2.gz UVGZPGBCGJOPQS-MJBXVCDLSA-N 2 1 242.407 2.251 10 0 BEAEMP CCCO[C@H]1CCC[N@H+]([C@@](C)(C[NH3+])C(C)C)C1 ZINC000042421221 169312945 /nfs/dbraw/zinc/31/29/45/169312945.db2.gz QPJPUMKOIJOMOD-KBPBESRZSA-N 2 1 242.407 2.251 10 0 BEAEMP CCCO[C@H]1CCC[N@@H+]([C@@](C)(C[NH3+])C2CC2)C1 ZINC000042421161 169313084 /nfs/dbraw/zinc/31/30/84/169313084.db2.gz ZCWXMYKJROXKNU-KBPBESRZSA-N 2 1 240.391 2.005 10 0 BEAEMP CCCO[C@H]1CCC[N@H+]([C@@](C)(C[NH3+])C2CC2)C1 ZINC000042421161 169313086 /nfs/dbraw/zinc/31/30/86/169313086.db2.gz ZCWXMYKJROXKNU-KBPBESRZSA-N 2 1 240.391 2.005 10 0 BEAEMP CCCO[C@H]1CCC[N@H+](C[C@](C)([NH3+])CCC)C1 ZINC000042425525 169313364 /nfs/dbraw/zinc/31/33/64/169313364.db2.gz JAFTYCYFBJHIEH-UONOGXRCSA-N 2 1 242.407 2.395 10 0 BEAEMP CCCO[C@H]1CCC[N@@H+](C[C@](C)([NH3+])CCC)C1 ZINC000042425525 169313367 /nfs/dbraw/zinc/31/33/67/169313367.db2.gz JAFTYCYFBJHIEH-UONOGXRCSA-N 2 1 242.407 2.395 10 0 BEAEMP CCCC[N@H+]1CC[C@@H]([NH2+]C(C)C)[C@@H](C)C1 ZINC000226858530 134370209 /nfs/dbraw/zinc/37/02/09/134370209.db2.gz GZFFYQUFKQSBIG-QWHCGFSZSA-N 2 1 212.381 2.495 10 0 BEAEMP [NH3+][C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Cl)nc1 ZINC000095072272 384343346 /nfs/dbraw/zinc/34/33/46/384343346.db2.gz CFFROILXKPQEOQ-QWRGUYRKSA-N 2 1 239.750 2.095 10 0 BEAEMP CCC[NH+]1CCC([N@@H+](C)C[C@H](C)COC)CC1 ZINC000124333553 384634356 /nfs/dbraw/zinc/63/43/56/384634356.db2.gz RUCWJQIFOBAATP-ZDUSSCGKSA-N 2 1 242.407 2.075 10 0 BEAEMP [NH3+]C[C@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1 ZINC000011888433 384707394 /nfs/dbraw/zinc/70/73/94/384707394.db2.gz RDHICDHGPRESKH-CYBMUJFWSA-N 2 1 236.334 2.039 10 0 BEAEMP Fc1ccc(Cl)cc1C[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000258835923 384949028 /nfs/dbraw/zinc/94/90/28/384949028.db2.gz GLPCAEJZSGVWBG-SECBINFHSA-N 2 1 242.725 2.178 10 0 BEAEMP C[C@H](CCC[NH3+])Nc1[nH+]c2ccccc2n1C ZINC000310350671 384994051 /nfs/dbraw/zinc/99/40/51/384994051.db2.gz PEDPPLQHZJTSKH-SNVBAGLBSA-N 2 1 232.331 2.113 10 0 BEAEMP C[C@H]([NH3+])C[C@H](C)Nc1cc[nH+]cc1Cl ZINC000165755497 385415258 /nfs/dbraw/zinc/41/52/58/385415258.db2.gz FMFBWLHKVYPAJU-YUMQZZPRSA-N 2 1 213.712 2.273 10 0 BEAEMP CCC(CC)(CC)C[NH2+]C[C@@H](C)[NH2+]C ZINC000391342850 385714116 /nfs/dbraw/zinc/71/41/16/385714116.db2.gz SGOSNXFRHYYCPU-LLVKDONJSA-N 2 1 200.370 2.400 10 0 BEAEMP C[N@@H+](C[C@]1(C)CC[NH2+]C1)C1CCCCC1 ZINC000062910890 386654248 /nfs/dbraw/zinc/65/42/48/386654248.db2.gz KTLZTOLBUYALRS-CYBMUJFWSA-N 2 1 210.365 2.251 10 0 BEAEMP Clc1ccccc1C[NH2+]C[C@H]1CC[NH2+]C1 ZINC000398362308 386815990 /nfs/dbraw/zinc/81/59/90/386815990.db2.gz NEEPGPNZGFOVSK-JTQLQIEISA-N 2 1 224.735 2.039 10 0 BEAEMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@H]1CCC12CCCC2 ZINC000423371591 387227449 /nfs/dbraw/zinc/22/74/49/387227449.db2.gz HPRSOVNVWSVBKG-XQQFMLRXSA-N 2 1 222.376 2.439 10 0 BEAEMP CC(C)CC[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123141465 387656799 /nfs/dbraw/zinc/65/67/99/387656799.db2.gz YZCQQDMLKAWQCE-OLZOCXBDSA-N 2 1 212.381 2.447 10 0 BEAEMP CC(C)CC[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123141465 387656803 /nfs/dbraw/zinc/65/68/03/387656803.db2.gz YZCQQDMLKAWQCE-OLZOCXBDSA-N 2 1 212.381 2.447 10 0 BEAEMP CC(C)CC[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123141465 387656807 /nfs/dbraw/zinc/65/68/07/387656807.db2.gz YZCQQDMLKAWQCE-OLZOCXBDSA-N 2 1 212.381 2.447 10 0 BEAEMP CC(C)CC[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123141465 387656810 /nfs/dbraw/zinc/65/68/10/387656810.db2.gz YZCQQDMLKAWQCE-OLZOCXBDSA-N 2 1 212.381 2.447 10 0 BEAEMP C[C@H](c1ccc(F)cc1)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193602521 387856343 /nfs/dbraw/zinc/85/63/43/387856343.db2.gz KGMRKINQQSYSBU-BNOWGMLFSA-N 2 1 248.345 2.380 10 0 BEAEMP C[C@H](c1ccc(F)cc1)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193602521 387856344 /nfs/dbraw/zinc/85/63/44/387856344.db2.gz KGMRKINQQSYSBU-BNOWGMLFSA-N 2 1 248.345 2.380 10 0 BEAEMP C[C@H](c1ccc(F)cc1)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193602521 387856347 /nfs/dbraw/zinc/85/63/47/387856347.db2.gz KGMRKINQQSYSBU-BNOWGMLFSA-N 2 1 248.345 2.380 10 0 BEAEMP C[C@H](c1ccc(F)cc1)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193602521 387856349 /nfs/dbraw/zinc/85/63/49/387856349.db2.gz KGMRKINQQSYSBU-BNOWGMLFSA-N 2 1 248.345 2.380 10 0 BEAEMP C[N@@H+](Cc1ccccc1)[C@H]1CCC[C@H]([NH3+])C1 ZINC000071521078 388097232 /nfs/dbraw/zinc/09/72/32/388097232.db2.gz RGEJNWVOHDUDKB-KBPBESRZSA-N 2 1 218.344 2.388 10 0 BEAEMP C1CC1[N@@H+]1CCC[C@H]2C[NH+](C3CCC3)CC[C@@H]21 ZINC000245595642 388424862 /nfs/dbraw/zinc/42/48/62/388424862.db2.gz IJMIXASKKHRQSM-WFASDCNBSA-N 2 1 234.387 2.488 10 0 BEAEMP C1CC1[N@H+]1CCC[C@H]2C[NH+](C3CCC3)CC[C@@H]21 ZINC000245595642 388424864 /nfs/dbraw/zinc/42/48/64/388424864.db2.gz IJMIXASKKHRQSM-WFASDCNBSA-N 2 1 234.387 2.488 10 0 BEAEMP C1CC1[NH+]1CCC[C@H]2C[N@@H+](C3CCC3)CC[C@@H]21 ZINC000245595642 388424868 /nfs/dbraw/zinc/42/48/68/388424868.db2.gz IJMIXASKKHRQSM-WFASDCNBSA-N 2 1 234.387 2.488 10 0 BEAEMP C1CC1[NH+]1CCC[C@H]2C[N@H+](C3CCC3)CC[C@@H]21 ZINC000245595642 388424870 /nfs/dbraw/zinc/42/48/70/388424870.db2.gz IJMIXASKKHRQSM-WFASDCNBSA-N 2 1 234.387 2.488 10 0 BEAEMP CCC[C@H](C)[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000368426358 388568496 /nfs/dbraw/zinc/56/84/96/388568496.db2.gz VVLVCMVNPMANBV-NWDGAFQWSA-N 2 1 221.348 2.224 10 0 BEAEMP CC1(C)CC(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)C1 ZINC000530220259 388631672 /nfs/dbraw/zinc/63/16/72/388631672.db2.gz TZBWJFCBNDHOCP-AVGNSLFASA-N 2 1 222.376 2.092 10 0 BEAEMP C[C@@H]([NH2+]Cc1ccc(F)cc1F)[C@H]1CC[NH2+]C1 ZINC000400357281 533446198 /nfs/dbraw/zinc/44/61/98/533446198.db2.gz OUUFWOHNMJFTQP-ZJUUUORDSA-N 2 1 240.297 2.052 10 0 BEAEMP CC[N@H+]1CC[C@H]([NH+]2CCCCC2)[C@@H](C)C1 ZINC000226857759 134369702 /nfs/dbraw/zinc/36/97/02/134369702.db2.gz PPICIUYARLKCGY-STQMWFEESA-N 2 1 210.365 2.203 10 0 BEAEMP CCC[C@@H]1C[C@@H]1[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000252732456 135105049 /nfs/dbraw/zinc/10/50/49/135105049.db2.gz VDUPWUSEVQNAQH-CRWXNKLISA-N 2 1 224.392 2.495 10 0 BEAEMP [NH3+][C@@H]1CCC[N@H+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC000261533084 135163857 /nfs/dbraw/zinc/16/38/57/135163857.db2.gz KALUORYYDAPINQ-GHMZBOCLSA-N 2 1 232.318 2.235 10 0 BEAEMP [NH3+][C@@H]1CCC[N@@H+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC000261533084 135163858 /nfs/dbraw/zinc/16/38/58/135163858.db2.gz KALUORYYDAPINQ-GHMZBOCLSA-N 2 1 232.318 2.235 10 0 BEAEMP [NH3+]C[C@H]1CCC[N@@H+]1C[C@H]1CCCC(F)(F)C1 ZINC000261533074 135164001 /nfs/dbraw/zinc/16/40/01/135164001.db2.gz FSBRYYUMRHERDW-WDEREUQCSA-N 2 1 232.318 2.235 10 0 BEAEMP [NH3+]C[C@H]1CCC[N@H+]1C[C@H]1CCCC(F)(F)C1 ZINC000261533074 135164002 /nfs/dbraw/zinc/16/40/02/135164002.db2.gz FSBRYYUMRHERDW-WDEREUQCSA-N 2 1 232.318 2.235 10 0 BEAEMP C[C@@H]1C[N@@H+](C[C@H]2CCCC(F)(F)C2)CC[C@@H]1[NH3+] ZINC000261538124 135175419 /nfs/dbraw/zinc/17/54/19/135175419.db2.gz DVEGQXYBGFGWDQ-WOPDTQHZSA-N 2 1 246.345 2.481 10 0 BEAEMP C[C@@H]1C[N@@H+](C[C@@H]2CCCC(F)(F)C2)CC[C@H]1[NH3+] ZINC000261538122 135175467 /nfs/dbraw/zinc/17/54/67/135175467.db2.gz DVEGQXYBGFGWDQ-IJLUTSLNSA-N 2 1 246.345 2.481 10 0 BEAEMP CC1(C)C[N@H+](Cc2ccsc2)CC[C@H]1[NH3+] ZINC000261538671 135176546 /nfs/dbraw/zinc/17/65/46/135176546.db2.gz YWPYRAGQXCVXLS-LLVKDONJSA-N 2 1 224.373 2.307 10 0 BEAEMP CC1(C)C[N@@H+](Cc2ccsc2)CC[C@H]1[NH3+] ZINC000261538671 135176548 /nfs/dbraw/zinc/17/65/48/135176548.db2.gz YWPYRAGQXCVXLS-LLVKDONJSA-N 2 1 224.373 2.307 10 0 BEAEMP CCC(CC)(CC)C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000261575480 135216732 /nfs/dbraw/zinc/21/67/32/135216732.db2.gz JUEUJWBRPMLVNJ-GFCCVEGCSA-N 2 1 212.381 2.483 10 0 BEAEMP CC(C)[NH2+]CC[N@@H+]1CCC[C@H](C2CC2)C1 ZINC000377587737 167104351 /nfs/dbraw/zinc/10/43/51/167104351.db2.gz ZDMIEHRGBCBFLX-ZDUSSCGKSA-N 2 1 210.365 2.106 10 0 BEAEMP CC(C)[NH2+]CC[N@H+]1CCC[C@H](C2CC2)C1 ZINC000377587737 167104356 /nfs/dbraw/zinc/10/43/56/167104356.db2.gz ZDMIEHRGBCBFLX-ZDUSSCGKSA-N 2 1 210.365 2.106 10 0 BEAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCCC3CCC3)C[C@H]12 ZINC000662266470 409564927 /nfs/dbraw/zinc/56/49/27/409564927.db2.gz MDCDQXZFVRURQQ-HZSPNIEDSA-N 2 1 222.376 2.236 10 0 BEAEMP CC[C@H](CC(F)F)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000662266588 409567021 /nfs/dbraw/zinc/56/70/21/409567021.db2.gz NIONPDIVYPISIM-NOOOWODRSA-N 2 1 246.345 2.337 10 0 BEAEMP C[C@@H](C[NH3+])CNc1[nH+]ccc2ccccc21 ZINC000123806556 410301569 /nfs/dbraw/zinc/30/15/69/410301569.db2.gz GNLWYBMEISMPBK-JTQLQIEISA-N 2 1 215.300 2.242 10 0 BEAEMP [NH3+]C[C@H]1CCC[N@@H+]1C[C@H]1CCCCC1(F)F ZINC000394538824 410803224 /nfs/dbraw/zinc/80/32/24/410803224.db2.gz WHQBGXOUBSPVNB-GHMZBOCLSA-N 2 1 232.318 2.235 10 0 BEAEMP [NH3+]C[C@H]1CCC[N@H+]1C[C@H]1CCCCC1(F)F ZINC000394538824 410803232 /nfs/dbraw/zinc/80/32/32/410803232.db2.gz WHQBGXOUBSPVNB-GHMZBOCLSA-N 2 1 232.318 2.235 10 0 BEAEMP CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000396590137 410889410 /nfs/dbraw/zinc/88/94/10/410889410.db2.gz JHBPOEZMYCVWSQ-LPWJVIDDSA-N 2 1 210.365 2.295 10 0 BEAEMP CC(C)[NH2+]C[C@H](C)C[N@@H+](C)C[C@@H]1CCCCO1 ZINC000052507208 167113220 /nfs/dbraw/zinc/11/32/20/167113220.db2.gz IWZIOXULGKQASP-KBPBESRZSA-N 2 1 242.407 2.121 10 0 BEAEMP CC(C)[NH2+]C[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000053012539 167113679 /nfs/dbraw/zinc/11/36/79/167113679.db2.gz WGJRLQSDNXREOY-LBPRGKRZSA-N 2 1 210.365 2.249 10 0 BEAEMP CC(C)[NH2+]C[C@H]1CC[N@H+](C(C2CC2)C2CC2)C1 ZINC000053031985 167114881 /nfs/dbraw/zinc/11/48/81/167114881.db2.gz CQQSVFBNSHXSDR-GFCCVEGCSA-N 2 1 236.403 2.495 10 0 BEAEMP CC(C)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000049900294 167119037 /nfs/dbraw/zinc/11/90/37/167119037.db2.gz UOQSIDBCSGUZTI-UHFFFAOYSA-N 2 1 248.370 2.017 10 0 BEAEMP CC1CCC(C[NH2+]CCC[NH+]2CCC2)CC1 ZINC000655753919 411184541 /nfs/dbraw/zinc/18/45/41/411184541.db2.gz CROJCLWEUIHYOC-UHFFFAOYSA-N 2 1 224.392 2.498 10 0 BEAEMP CC[N@H+]1CC[C@@H]([NH+]2CCCCC2)[C@H](C)C1 ZINC000073653868 170012752 /nfs/dbraw/zinc/01/27/52/170012752.db2.gz PPICIUYARLKCGY-CHWSQXEVSA-N 2 1 210.365 2.203 10 0 BEAEMP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C(C)C ZINC000054601583 170109187 /nfs/dbraw/zinc/10/91/87/170109187.db2.gz QXNZTYPTSYOITM-YHWZYXNKSA-N 2 1 210.365 2.390 10 0 BEAEMP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C(C)C ZINC000054601583 170109188 /nfs/dbraw/zinc/10/91/88/170109188.db2.gz QXNZTYPTSYOITM-YHWZYXNKSA-N 2 1 210.365 2.390 10 0 BEAEMP CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccncc1 ZINC000054627783 170109573 /nfs/dbraw/zinc/10/95/73/170109573.db2.gz XDRAQGQNTMMGHO-GOOCMWNKSA-N 2 1 245.370 2.187 10 0 BEAEMP CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccncc1 ZINC000054627783 170109575 /nfs/dbraw/zinc/10/95/75/170109575.db2.gz XDRAQGQNTMMGHO-GOOCMWNKSA-N 2 1 245.370 2.187 10 0 BEAEMP CC[NH2+]CC(CC)(CC)C[N@@H+](C)[C@H](C)COC ZINC000051251394 170110545 /nfs/dbraw/zinc/11/05/45/170110545.db2.gz XYQFPLZIPJNVEV-CYBMUJFWSA-N 2 1 244.423 2.369 10 0 BEAEMP CC[NH2+]CCC[C@@H](C)[N@@H+](C)CCc1ccccn1 ZINC000052423921 170112421 /nfs/dbraw/zinc/11/24/21/170112421.db2.gz QTEQTABMSDWTAU-CQSZACIVSA-N 2 1 249.402 2.334 10 0 BEAEMP CC[NH2+]C[C@H]1CC[N@@H+]([C@@H](C)c2ccncc2)C1 ZINC000053031117 170122766 /nfs/dbraw/zinc/12/27/66/170122766.db2.gz CYVPEUUHDKETJK-QWHCGFSZSA-N 2 1 233.359 2.074 10 0 BEAEMP CC[NH2+]C[C@H]1CC[N@H+]([C@@H](C)c2ccncc2)C1 ZINC000053031117 170122767 /nfs/dbraw/zinc/12/27/67/170122767.db2.gz CYVPEUUHDKETJK-QWHCGFSZSA-N 2 1 233.359 2.074 10 0 BEAEMP CC[NH2+]C[C@](C)(CC)C[N@@H+](C)C1CCOCC1 ZINC000051218323 170123365 /nfs/dbraw/zinc/12/33/65/170123365.db2.gz CEDRBKAEWKCVJX-AWEZNQCLSA-N 2 1 242.407 2.123 10 0 BEAEMP CC[NH2+]Cc1cc(C[N@@H+](CC)[C@H](C)CC)on1 ZINC000052451141 170125337 /nfs/dbraw/zinc/12/53/37/170125337.db2.gz VNDZUUIONXQBDA-LLVKDONJSA-N 2 1 239.363 2.405 10 0 BEAEMP CC[NH2+][C@@H](CC[N@@H+](CC)CCOC)C(C)(C)C ZINC000054029057 170144881 /nfs/dbraw/zinc/14/48/81/170144881.db2.gz GTQGUEOKTPYTGU-ZDUSSCGKSA-N 2 1 244.423 2.369 10 0 BEAEMP CC[NH2+][C@@H]1CC[N@@H+](CC2CCCC2)C[C@@H]1C ZINC000049710668 170151210 /nfs/dbraw/zinc/15/12/10/170151210.db2.gz GEOYLNODKLZZGP-GXTWGEPZSA-N 2 1 224.392 2.497 10 0 BEAEMP CC[NH2+][C@H]1CCCC[C@@H]1n1cc[nH+]c1C ZINC000043993784 170166204 /nfs/dbraw/zinc/16/62/04/170166204.db2.gz JGCYUMOGNFLGAV-RYUDHWBXSA-N 2 1 207.321 2.285 10 0 BEAEMP CCOCCC[N@H+]1CC[C@H](C)[NH2+][C@@H](CC)CC1 ZINC000049665159 170374609 /nfs/dbraw/zinc/37/46/09/170374609.db2.gz PKRLXDJHKBOGDA-KBPBESRZSA-N 2 1 242.407 2.266 10 0 BEAEMP CCOCCC[NH2+]C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000053486434 170380467 /nfs/dbraw/zinc/38/04/67/170380467.db2.gz UUSZFDHLULEZEJ-KBPBESRZSA-N 2 1 242.407 2.123 10 0 BEAEMP CCOCCC[NH2+]C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000053486434 170380470 /nfs/dbraw/zinc/38/04/70/170380470.db2.gz UUSZFDHLULEZEJ-KBPBESRZSA-N 2 1 242.407 2.123 10 0 BEAEMP CCOCC[N@@H+](CC)[C@@H](C)CC[NH2+]CC(C)C ZINC000104188751 170396637 /nfs/dbraw/zinc/39/66/37/170396637.db2.gz WHHUYCBDQIAOML-AWEZNQCLSA-N 2 1 244.423 2.369 10 0 BEAEMP CC[C@@H]1CC[N@H+](Cc2ccccn2)CC[C@H](C)[NH2+]1 ZINC000049666511 171010846 /nfs/dbraw/zinc/01/08/46/171010846.db2.gz ABWSGXVVQJLQAA-UONOGXRCSA-N 2 1 247.386 2.434 10 0 BEAEMP CC[C@@H]1CC[N@@H+](Cc2ccccn2)CC[C@H](C)[NH2+]1 ZINC000049666511 171010848 /nfs/dbraw/zinc/01/08/48/171010848.db2.gz ABWSGXVVQJLQAA-UONOGXRCSA-N 2 1 247.386 2.434 10 0 BEAEMP CC[C@@H]1CC[N@@H+](CCc2ccncc2)CCC[NH2+]1 ZINC000049666800 171011551 /nfs/dbraw/zinc/01/15/51/171011551.db2.gz YEIXGULPMXXNAP-OAHLLOKOSA-N 2 1 247.386 2.088 10 0 BEAEMP C[N@@H+](C[C@@H]1C[C@H]2C[C@H]2C1)[C@H]1CCC[NH2+]CC1 ZINC000662267218 412058669 /nfs/dbraw/zinc/05/86/69/412058669.db2.gz RHHMSGADCUFWHH-CRWXNKLISA-N 2 1 222.376 2.106 10 0 BEAEMP CC[C@@H]1CC[C@H](C[NH3+])[C@H]([N@@H+](C)[C@@H](C)COC)C1 ZINC000042517526 171056923 /nfs/dbraw/zinc/05/69/23/171056923.db2.gz FBCIBSSHFAGLDA-REWJHTLYSA-N 2 1 242.407 2.107 10 0 BEAEMP CC[C@@H]1C[N@H+](CC(CC)(CC)C[NH2+]C)CCO1 ZINC000051217084 171077252 /nfs/dbraw/zinc/07/72/52/171077252.db2.gz XJQOYXDINXVEGK-CYBMUJFWSA-N 2 1 242.407 2.123 10 0 BEAEMP CC[C@@H]1C[N@@H+](CC(CC)(CC)C[NH2+]C)CCO1 ZINC000051217084 171077253 /nfs/dbraw/zinc/07/72/53/171077253.db2.gz XJQOYXDINXVEGK-CYBMUJFWSA-N 2 1 242.407 2.123 10 0 BEAEMP CC[C@@H]1CO[C@H](C)C[N@H+]1[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000036128001 171114250 /nfs/dbraw/zinc/11/42/50/171114250.db2.gz FEAZIDNFVDVTPC-AAVRWANBSA-N 2 1 240.391 2.003 10 0 BEAEMP CC[C@@](C)(C[NH3+])C[NH+]1Cc2ccccc2C1 ZINC000051249407 171166154 /nfs/dbraw/zinc/16/61/54/171166154.db2.gz NBIQLAHAIOGJMQ-AWEZNQCLSA-N 2 1 218.344 2.377 10 0 BEAEMP CC[C@H](C)C[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000336743735 171286010 /nfs/dbraw/zinc/28/60/10/171286010.db2.gz UFJGLBIVKYYHCQ-NWDGAFQWSA-N 2 1 221.348 2.081 10 0 BEAEMP C[N@H+](C[C@@H]1CCCCC1(F)F)CC(C)(C)[NH3+] ZINC000662295291 412084201 /nfs/dbraw/zinc/08/42/01/412084201.db2.gz PCWFOTHQFPAHSK-JTQLQIEISA-N 2 1 234.334 2.481 10 0 BEAEMP C[N@@H+](C[C@@H]1CCCCC1(F)F)CC(C)(C)[NH3+] ZINC000662295291 412084205 /nfs/dbraw/zinc/08/42/05/412084205.db2.gz PCWFOTHQFPAHSK-JTQLQIEISA-N 2 1 234.334 2.481 10 0 BEAEMP CC[C@H](C)[N@@H+](CCOC)[C@@H](C)CC[NH2+]C1CC1 ZINC000052547478 171315207 /nfs/dbraw/zinc/31/52/07/171315207.db2.gz JZSBCGNXZQNZOS-STQMWFEESA-N 2 1 242.407 2.264 10 0 BEAEMP CC[C@H](C)[NH2+]CC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000038019111 171340469 /nfs/dbraw/zinc/34/04/69/171340469.db2.gz ZXJZCOMJBQPMDF-WODVXLOZSA-N 2 1 210.365 2.247 10 0 BEAEMP [NH3+]CC12CC(C1)C[N@@H+]2C[C@@H]1CCCCC1(F)F ZINC000662305604 412090742 /nfs/dbraw/zinc/09/07/42/412090742.db2.gz KVIXOPMNSVLOJL-CXQJBGSLSA-N 2 1 244.329 2.235 10 0 BEAEMP [NH3+]CC12CC(C1)C[N@H+]2C[C@@H]1CCCCC1(F)F ZINC000662305604 412090743 /nfs/dbraw/zinc/09/07/43/412090743.db2.gz KVIXOPMNSVLOJL-CXQJBGSLSA-N 2 1 244.329 2.235 10 0 BEAEMP CCc1[nH+]ccn1[C@H](c1cccs1)[C@H](C)[NH3+] ZINC000043107482 172028899 /nfs/dbraw/zinc/02/88/99/172028899.db2.gz ZSBGBWXDDSALRC-CABZTGNLSA-N 2 1 235.356 2.444 10 0 BEAEMP CCc1[nH+]ccn1[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000042419729 172029389 /nfs/dbraw/zinc/02/93/89/172029389.db2.gz WCRCZJINVLDLRI-WDEREUQCSA-N 2 1 207.321 2.278 10 0 BEAEMP CCc1[nH+]ccn1[C@H](C[NH3+])c1sccc1C ZINC000043249259 172029441 /nfs/dbraw/zinc/02/94/41/172029441.db2.gz YVNOXANEXAADIJ-SNVBAGLBSA-N 2 1 235.356 2.364 10 0 BEAEMP CCc1[nH+]ccn1[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000042419620 172029630 /nfs/dbraw/zinc/02/96/30/172029630.db2.gz JVWZJRRXJXKBCM-GHMZBOCLSA-N 2 1 207.321 2.136 10 0 BEAEMP CCc1[nH+]ccn1[C@H](C[NH3+])c1cccc(C)c1 ZINC000042967870 172029859 /nfs/dbraw/zinc/02/98/59/172029859.db2.gz PSAZALLYWBAQEG-CYBMUJFWSA-N 2 1 229.327 2.302 10 0 BEAEMP CCc1[nH+]ccn1[C@H]([C@H](C)[NH3+])C(C)(C)C ZINC000043295094 172029903 /nfs/dbraw/zinc/02/99/03/172029903.db2.gz SDODAGVXDPROHW-GXSJLCMTSA-N 2 1 209.337 2.380 10 0 BEAEMP CCn1cccc1C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000091023112 172207604 /nfs/dbraw/zinc/20/76/04/172207604.db2.gz MJFKPUMVEAOFAD-UHFFFAOYSA-N 2 1 249.402 2.470 10 0 BEAEMP CCn1cc[nH+]c1NCCCC[N@@H+](C)C(C)C ZINC000050614307 172227128 /nfs/dbraw/zinc/22/71/28/172227128.db2.gz NEHYQNNMGXPTCH-UHFFFAOYSA-N 2 1 238.379 2.435 10 0 BEAEMP C[N@H+]1CCCC[C@@H]1CC[NH2+][C@@H]1CC1(C)C ZINC000052206235 173006119 /nfs/dbraw/zinc/00/61/19/173006119.db2.gz PAUYKLFAVXGBNF-VXGBXAGGSA-N 2 1 210.365 2.249 10 0 BEAEMP C[N@H+]1CCCC[C@H]1CC[NH2+]C1CCCC1 ZINC000049772947 173007784 /nfs/dbraw/zinc/00/77/84/173007784.db2.gz CLABDDCKXWRCIX-ZDUSSCGKSA-N 2 1 210.365 2.393 10 0 BEAEMP C[N@H+]1CCCC[C@H]1COc1ccccc1C[NH3+] ZINC000020352414 173010006 /nfs/dbraw/zinc/01/00/06/173010006.db2.gz RSKIKWUPLONSHA-ZDUSSCGKSA-N 2 1 234.343 2.008 10 0 BEAEMP C[N@H+]1CCC[C@H]([C@H]([NH3+])c2ccccc2)C1 ZINC000033882196 173048310 /nfs/dbraw/zinc/04/83/10/173048310.db2.gz BINAJLITODPBLY-QWHCGFSZSA-N 2 1 204.317 2.028 10 0 BEAEMP C[N@H+]1CC[C@@H](C[NH2+]CC2CCCCC2)C1 ZINC000037484661 173114511 /nfs/dbraw/zinc/11/45/11/173114511.db2.gz YDWKBNMCYXJGRN-ZDUSSCGKSA-N 2 1 210.365 2.108 10 0 BEAEMP C[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(F)c(F)c2)C1 ZINC000037645877 173115129 /nfs/dbraw/zinc/11/51/29/173115129.db2.gz IEDLBGXIBBUQCM-NSHDSACASA-N 2 1 240.297 2.006 10 0 BEAEMP C[N@H+]1CC[C@H](Nc2cc[nH+]c3ccccc23)C1 ZINC000042548004 173155679 /nfs/dbraw/zinc/15/56/79/173155679.db2.gz ZVUWXNNABIDIHA-NSHDSACASA-N 2 1 227.311 2.351 10 0 BEAEMP C[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+]CCC(F)(F)F)C2 ZINC000063099146 173207516 /nfs/dbraw/zinc/20/75/16/173207516.db2.gz LRSBOXJDDFOICL-PBINXNQUSA-N 2 1 236.281 2.154 10 0 BEAEMP C[NH2+]C1CC[NH+](Cc2ccc(C)c(C)c2)CC1 ZINC000049668414 173323042 /nfs/dbraw/zinc/32/30/42/173323042.db2.gz YJZITRXHHQDCSD-UHFFFAOYSA-N 2 1 232.371 2.487 10 0 BEAEMP C[NH2+]C1CC[NH+]([C@@H](C)CCc2ccco2)CC1 ZINC000049568566 173323740 /nfs/dbraw/zinc/32/37/40/173323740.db2.gz IDULCITTWSTMPQ-LBPRGKRZSA-N 2 1 236.359 2.285 10 0 BEAEMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)c1ccccn1 ZINC000054628126 173324453 /nfs/dbraw/zinc/32/44/53/173324453.db2.gz CXTIOVDEIAMLAK-FUDCBSFHSA-N 2 1 245.370 2.357 10 0 BEAEMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)c1ccccn1 ZINC000054628126 173324455 /nfs/dbraw/zinc/32/44/55/173324455.db2.gz CXTIOVDEIAMLAK-FUDCBSFHSA-N 2 1 245.370 2.357 10 0 BEAEMP C[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccc(OC)cc1 ZINC000052541606 173358232 /nfs/dbraw/zinc/35/82/32/173358232.db2.gz ORZCPWRJHFGSIW-LBPRGKRZSA-N 2 1 236.359 2.125 10 0 BEAEMP C[NH2+]C[C@@H]1CC[N@H+](C2CCC(C)CC2)C1 ZINC000053012854 173370162 /nfs/dbraw/zinc/37/01/62/173370162.db2.gz KBVVCOSVNXEQFB-CPCZMJQVSA-N 2 1 210.365 2.106 10 0 BEAEMP C[NH2+]C[C@@](C)(C[N@H+](C)C1CC1)c1ccccc1 ZINC000051215175 173372348 /nfs/dbraw/zinc/37/23/48/173372348.db2.gz XCBJOVUIEXZWJE-HNNXBMFYSA-N 2 1 232.371 2.258 10 0 BEAEMP C[NH2+]C[C@@](C)(C[N@@H+](C)C1CC1)c1ccccc1 ZINC000051215175 173372349 /nfs/dbraw/zinc/37/23/49/173372349.db2.gz XCBJOVUIEXZWJE-HNNXBMFYSA-N 2 1 232.371 2.258 10 0 BEAEMP C[NH2+]C[C@H]1CCC[N@@H+]([C@@H](C)c2ccco2)C1 ZINC000040592764 173379263 /nfs/dbraw/zinc/37/92/63/173379263.db2.gz AQXKHBVIZOEKEC-NWDGAFQWSA-N 2 1 222.332 2.272 10 0 BEAEMP C[NH2+]C[C@H]1CCC[N@H+]([C@@H](C)c2ccco2)C1 ZINC000040592764 173379265 /nfs/dbraw/zinc/37/92/65/173379265.db2.gz AQXKHBVIZOEKEC-NWDGAFQWSA-N 2 1 222.332 2.272 10 0 BEAEMP C[NH2+]C[C@H]1CC[C@@H](C[N@@H+](C)C2CCCCC2)O1 ZINC000052419383 173382922 /nfs/dbraw/zinc/38/29/22/173382922.db2.gz BTIFZQFVUGWNNT-KGLIPLIRSA-N 2 1 240.391 2.018 10 0 BEAEMP C[NH2+]Cc1cc(C[N@H+]2CCC[C@H](C)CC2)on1 ZINC000104356441 173387205 /nfs/dbraw/zinc/38/72/05/173387205.db2.gz JVMPHPMPAPAHHD-NSHDSACASA-N 2 1 237.347 2.016 10 0 BEAEMP C[NH2+]Cc1ccc(OCC[N@@H+](C)C(C)C)cc1 ZINC000052419599 173388757 /nfs/dbraw/zinc/38/87/57/173388757.db2.gz GFMOWLFMNJSFKB-UHFFFAOYSA-N 2 1 236.359 2.125 10 0 BEAEMP C[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](C)C1 ZINC000052484680 173390149 /nfs/dbraw/zinc/39/01/49/173390149.db2.gz LWOAIRHYVHAXGE-LBPRGKRZSA-N 2 1 218.344 2.248 10 0 BEAEMP C[NH2+]Cc1ccccc1OCC[N@H+]1CC[C@@H](C)C1 ZINC000052484458 173390231 /nfs/dbraw/zinc/39/02/31/173390231.db2.gz AVQGNRXDPFEQLB-CYBMUJFWSA-N 2 1 248.370 2.127 10 0 BEAEMP COCC[N@@H+](C1CC1)[C@H]1CCCCC[C@@H]1C[NH3+] ZINC000042517605 174284598 /nfs/dbraw/zinc/28/45/98/174284598.db2.gz FPNIPWUXCYLYBP-OCCSQVGLSA-N 2 1 240.391 2.005 10 0 BEAEMP COc1ccc(C)cc1[C@H]([NH3+])Cn1cc[nH+]c1C ZINC000023070236 175081774 /nfs/dbraw/zinc/08/17/74/175081774.db2.gz OFZKVVNJRALBNL-CYBMUJFWSA-N 2 1 245.326 2.209 10 0 BEAEMP COc1ccc([C@H]([C@@H](C)[NH3+])n2cc[nH+]c2C)cc1 ZINC000042962253 175193947 /nfs/dbraw/zinc/19/39/47/175193947.db2.gz WFAXUOJDAOAUIG-YGRLFVJLSA-N 2 1 245.326 2.137 10 0 BEAEMP COc1cccc(C[N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)c1 ZINC000042427411 175260345 /nfs/dbraw/zinc/26/03/45/175260345.db2.gz ZMPJNYHXFVCQHX-GXTWGEPZSA-N 2 1 248.370 2.254 10 0 BEAEMP COc1cccc([C@@H]([C@@H](C)[NH3+])n2cc[nH+]c2C)c1 ZINC000043028778 175289807 /nfs/dbraw/zinc/28/98/07/175289807.db2.gz ATYJWLYQLZZOIN-QMTHXVAHSA-N 2 1 245.326 2.137 10 0 BEAEMP COc1ccccc1[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1C ZINC000082334319 175349496 /nfs/dbraw/zinc/34/94/96/175349496.db2.gz ZGJLCYHBTNSBGW-RISCZKNCSA-N 2 1 234.343 2.037 10 0 BEAEMP C[C@H](C[NH3+])C[N@@H+](C)[C@@H](C)c1ccccc1 ZINC000049813580 176020321 /nfs/dbraw/zinc/02/03/21/176020321.db2.gz XOJDJEACUUZLTI-NEPJUHHUSA-N 2 1 206.333 2.274 10 0 BEAEMP C[C@@H](c1ccco1)[N@H+](C)C1CC[NH2+]CC1 ZINC000095068196 176031830 /nfs/dbraw/zinc/03/18/30/176031830.db2.gz PCTNHADVCXRGIB-JTQLQIEISA-N 2 1 208.305 2.024 10 0 BEAEMP C[C@@H](c1ccco1)[N@@H+](C)C1CC[NH2+]CC1 ZINC000095068196 176031831 /nfs/dbraw/zinc/03/18/31/176031831.db2.gz PCTNHADVCXRGIB-JTQLQIEISA-N 2 1 208.305 2.024 10 0 BEAEMP C[C@@H]1CCCC[N@H+]1CC1(C[NH3+])CCCC1 ZINC000049814816 176072200 /nfs/dbraw/zinc/07/22/00/176072200.db2.gz RWGNRNBNBWXGDD-GFCCVEGCSA-N 2 1 210.365 2.380 10 0 BEAEMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000058058448 176072907 /nfs/dbraw/zinc/07/29/07/176072907.db2.gz HVQXIJXDQHORAG-AGIUHOORSA-N 2 1 210.365 2.378 10 0 BEAEMP C[C@@H]1CCC[N@H+]1Cc1cccc(C[NH3+])c1 ZINC000037910063 176110160 /nfs/dbraw/zinc/11/01/60/176110160.db2.gz WTXQLHOHNIIRTH-LLVKDONJSA-N 2 1 204.317 2.130 10 0 BEAEMP C[C@@H]1CC[N@@H+](C[C@@H](C[NH3+])c2ccccc2)C1 ZINC000040717076 176172139 /nfs/dbraw/zinc/17/21/39/176172139.db2.gz HBRZEMCNMJPMIL-TZMCWYRMSA-N 2 1 218.344 2.071 10 0 BEAEMP C[C@@H]1CCNCC[N@H+]1C1CCCCCC1 ZINC000071512334 176184108 /nfs/dbraw/zinc/18/41/08/176184108.db2.gz BHFSJZKYLQOXKZ-GFCCVEGCSA-N 2 1 210.365 2.393 10 0 BEAEMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1cccs1 ZINC000042427267 176202700 /nfs/dbraw/zinc/20/27/00/176202700.db2.gz UULKCNKNLCNSLY-MNOVXSKESA-N 2 1 224.373 2.307 10 0 BEAEMP C[C@@H]1CC[C@H](C[NH3+])[C@H]([N@@H+](C)Cc2ccco2)C1 ZINC000035700797 176223748 /nfs/dbraw/zinc/22/37/48/176223748.db2.gz FXBAKHCVUWVZLW-YRGRVCCFSA-N 2 1 236.359 2.475 10 0 BEAEMP C[C@@H]1CC[C@H](C[NH3+])[C@H]([N@@H+](C)Cc2ccccn2)C1 ZINC000036777088 176224365 /nfs/dbraw/zinc/22/43/65/176224365.db2.gz UEMGKOSDFILOKV-UMVBOHGHSA-N 2 1 247.386 2.277 10 0 BEAEMP C[C@@H]1C[N@@H+](CCCc2ccccc2)CCC[NH2+]1 ZINC000062615835 176288908 /nfs/dbraw/zinc/28/89/08/176288908.db2.gz HHPZMYYSXMIEDX-CQSZACIVSA-N 2 1 232.371 2.303 10 0 BEAEMP C[C@@H]1C[N@@H+](CCOC2CCCCC2)CC[C@@H]1[NH3+] ZINC000104436825 176291865 /nfs/dbraw/zinc/29/18/65/176291865.db2.gz RYKXIIYVKYVTQP-OCCSQVGLSA-N 2 1 240.391 2.005 10 0 BEAEMP C[C@@H]1C[NH2+]C[C@@]12CC[N@@H+](Cc1ccccc1)C2 ZINC000082346548 176329397 /nfs/dbraw/zinc/32/93/97/176329397.db2.gz FIHYLOPZALKCDP-UKRRQHHQSA-N 2 1 230.355 2.118 10 0 BEAEMP CC(C)[C@H](C)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037915911 487635047 /nfs/dbraw/zinc/63/50/47/487635047.db2.gz RVKBRXDCICPMFX-IHRRRGAJSA-N 2 1 224.392 2.495 10 0 BEAEMP C[C@H](c1ccsc1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050345222 177051323 /nfs/dbraw/zinc/05/13/23/177051323.db2.gz RLIPSNRALZYCOO-NXEZZACHSA-N 2 1 210.346 2.090 10 0 BEAEMP C[C@H]1CCCC[N@H+]1CC1CCC([NH3+])CC1 ZINC000037482369 177075241 /nfs/dbraw/zinc/07/52/41/177075241.db2.gz GJKWPNZHNYANFF-HIFPTAJRSA-N 2 1 210.365 2.378 10 0 BEAEMP C[C@H]1CCCC[N@H+]1Cc1occc1C[NH3+] ZINC000052378735 177079188 /nfs/dbraw/zinc/07/91/88/177079188.db2.gz MFIZNEJPRAFIIP-JTQLQIEISA-N 2 1 208.305 2.113 10 0 BEAEMP C[C@H]1CCCC[C@@H]1[N@@H+](C)C1(CN)CCOCC1 ZINC000042606718 177080425 /nfs/dbraw/zinc/08/04/25/177080425.db2.gz NWYUYCAJYRMMJT-STQMWFEESA-N 2 1 240.391 2.005 10 0 BEAEMP C[C@H]1CCC[N@@H+](Cc2cccnc2C[NH3+])CC1 ZINC000104347498 177101129 /nfs/dbraw/zinc/10/11/29/177101129.db2.gz YYRVMEFURZKICT-LBPRGKRZSA-N 2 1 233.359 2.162 10 0 BEAEMP C[C@H]1CCC[N@H+]1CCCOc1ccccc1C[NH3+] ZINC000037910096 177109463 /nfs/dbraw/zinc/10/94/63/177109463.db2.gz HZMOAFRVKPFHNB-ZDUSSCGKSA-N 2 1 248.370 2.399 10 0 BEAEMP C[C@H]1CCC[N@@H+]1[C@@H](CN)c1cccc(F)c1 ZINC000037910444 177111667 /nfs/dbraw/zinc/11/16/67/177111667.db2.gz GMMCSGFNTMGBOJ-GWCFXTLKSA-N 2 1 222.307 2.310 10 0 BEAEMP C[C@H]1CCC[N@H+]1[C@@H](CN)c1cccc(F)c1 ZINC000037910444 177111669 /nfs/dbraw/zinc/11/16/69/177111669.db2.gz GMMCSGFNTMGBOJ-GWCFXTLKSA-N 2 1 222.307 2.310 10 0 BEAEMP C[C@@H]1CCC[C@H](C)C1[NH2+]C1CC[NH+](C)CC1 ZINC000037248712 177113732 /nfs/dbraw/zinc/11/37/32/177113732.db2.gz CMRQJQJBPUQJQS-ONXXMXGDSA-N 2 1 224.392 2.495 10 0 BEAEMP C[C@@H]1C[NH2+][C@@H](C)CC[N@@H+](CC(C)(C)C)C1 ZINC000049667090 177158324 /nfs/dbraw/zinc/15/83/24/177158324.db2.gz NZXWMZDWJBAESX-NEPJUHHUSA-N 2 1 212.381 2.352 10 0 BEAEMP C[C@H]1CC[N@H+]([C@@H](CC[NH3+])c2ccccc2)C1 ZINC000055016302 177170322 /nfs/dbraw/zinc/17/03/22/177170322.db2.gz LLFVZNSTAWNKAJ-JSGCOSHPSA-N 2 1 218.344 2.418 10 0 BEAEMP C[C@H]1[C@@H](C)[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH3+] ZINC000068592771 177266101 /nfs/dbraw/zinc/26/61/01/177266101.db2.gz CNGGMQNYSIBNDV-RMRHIDDWSA-N 2 1 232.371 2.490 10 0 BEAEMP C[C@H]1C[NH2+]CCC[N@@H+](CC2CCCCC2)C1 ZINC000049666080 177282140 /nfs/dbraw/zinc/28/21/40/177282140.db2.gz JNVXPXAIOFEGHG-ZDUSSCGKSA-N 2 1 224.392 2.498 10 0 BEAEMP C[C@@H]1C[NH2+]C[C@H](C)C[N@H+](CC2CCCC2)C1 ZINC000049666022 177286168 /nfs/dbraw/zinc/28/61/68/177286168.db2.gz TVCKCAZMFGQXIQ-BETUJISGSA-N 2 1 224.392 2.354 10 0 BEAEMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCc1ccc(F)cc1 ZINC000049708199 177326944 /nfs/dbraw/zinc/32/69/44/177326944.db2.gz PVIKCEVEHRXVHA-FZMZJTMJSA-N 2 1 236.334 2.180 10 0 BEAEMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCOC1CCCCC1 ZINC000104436809 177364433 /nfs/dbraw/zinc/36/44/33/177364433.db2.gz FBCAZTYABKPMIJ-QWHCGFSZSA-N 2 1 240.391 2.147 10 0 BEAEMP Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)o1 ZINC000400353900 226341781 /nfs/dbraw/zinc/34/17/81/226341781.db2.gz ANJKMOQCIAHGTE-SDDRHHMPSA-N 2 1 222.332 2.237 10 0 BEAEMP CCc1cc(N[C@@H](C[NH3+])CC(C)C)nc(C)[nH+]1 ZINC000088760646 487749864 /nfs/dbraw/zinc/74/98/64/487749864.db2.gz DBVXPRFEQKAFLV-GFCCVEGCSA-N 2 1 236.363 2.133 10 0 BEAEMP CC(C)CC[N@@H+](C)C[C@@H]([NH3+])CC(C)C ZINC000042457850 487750304 /nfs/dbraw/zinc/75/03/04/487750304.db2.gz YVDRODNXOWXSSW-LBPRGKRZSA-N 2 1 200.370 2.338 10 0 BEAEMP Cc1ccoc1C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000562957084 323035149 /nfs/dbraw/zinc/03/51/49/323035149.db2.gz UAYVBEQDKOTYBZ-NWDGAFQWSA-N 2 1 222.332 2.066 10 0 BEAEMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@@H](C1CC1)C1CCC1 ZINC000396696117 323654804 /nfs/dbraw/zinc/65/48/04/323654804.db2.gz FATWZOKLUVMXLT-ZLKJLUDKSA-N 2 1 222.376 2.295 10 0 BEAEMP C[C@@H]([NH3+])C[C@@H](C)Nc1cc[nH+]cc1Cl ZINC000165755374 326426413 /nfs/dbraw/zinc/42/64/13/326426413.db2.gz FMFBWLHKVYPAJU-HTQZYQBOSA-N 2 1 213.712 2.273 10 0 BEAEMP Cc1cccc(N[C@@H]2CCC[C@H]([NH3+])C2)[nH+]1 ZINC000257656768 488076439 /nfs/dbraw/zinc/07/64/39/488076439.db2.gz QVWKNRQHPJPTFD-WDEREUQCSA-N 2 1 205.305 2.072 10 0 BEAEMP COc1ccc2c(c1)CCC[C@H]2[N@@H+](C)CCC[NH3+] ZINC000133721372 491159909 /nfs/dbraw/zinc/15/99/09/491159909.db2.gz BAKXQFROMHRWBK-OAHLLOKOSA-N 2 1 248.370 2.353 10 0 BEAEMP CC[C@@H]1CC[NH2+]C2(CC(C)(C)[NH2+]C(C)(C)C2)O1 ZINC000757147388 582531401 /nfs/dbraw/zinc/53/14/01/582531401.db2.gz SARXNMWQYRJENT-LLVKDONJSA-N 2 1 240.391 2.412 10 0 BEAEMP CCn1cccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250326815 536102280 /nfs/dbraw/zinc/10/22/80/536102280.db2.gz AINGGRJQAHCIHI-KGLIPLIRSA-N 2 1 247.386 2.224 10 0 BEAEMP CCn1cccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250326815 536102283 /nfs/dbraw/zinc/10/22/83/536102283.db2.gz AINGGRJQAHCIHI-KGLIPLIRSA-N 2 1 247.386 2.224 10 0 BEAEMP CCC[N@H+]1CC[C@H]([NH2+]CC(C)C)C[C@H]1C ZINC000252475293 519863805 /nfs/dbraw/zinc/86/38/05/519863805.db2.gz XQLAIQKDMNUQBO-OLZOCXBDSA-N 2 1 212.381 2.495 10 0 BEAEMP CCC[N@H+]1CC[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000252474522 519863684 /nfs/dbraw/zinc/86/36/84/519863684.db2.gz GZNAUWNOUKBLSM-OLZOCXBDSA-N 2 1 210.365 2.345 10 0 BEAEMP CCC[N@H+]1CC[C@H]([NH2+]C(C)(C)C)[C@@H](C)C1 ZINC000226858025 534958686 /nfs/dbraw/zinc/95/86/86/534958686.db2.gz UQUJSJQFNFSMPR-RYUDHWBXSA-N 2 1 212.381 2.495 10 0 BEAEMP C[C@@]1([NH3+])C[NH2+]C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000725262838 538089432 /nfs/dbraw/zinc/08/94/32/538089432.db2.gz YGOWQTOGQJSRMH-GHMZBOCLSA-N 2 1 244.260 2.110 10 0 BEAEMP COCC[C@H](C)[N@H+]1CCC[C@@]12CC[C@@H](C)[NH2+]C2 ZINC000757129540 582503857 /nfs/dbraw/zinc/50/38/57/582503857.db2.gz LVPKSLOZKOSVLV-RDBSUJKOSA-N 2 1 240.391 2.018 10 0 BEAEMP C[C@H](C1CC1)[N@H+]1CCC[C@@]12CCC[NH2+][C@@H]2C ZINC000757132975 582508882 /nfs/dbraw/zinc/50/88/82/582508882.db2.gz SHXNQGQFOJWUPZ-YRGRVCCFSA-N 2 1 222.376 2.391 10 0 BEAEMP C[N@H+]1CCC[C@]2(CC1)[NH2+]C[C@@H](C(C)(C)C)CO2 ZINC000757150046 586428688 /nfs/dbraw/zinc/42/86/88/586428688.db2.gz OYMQAAJBQSKGCZ-OCCSQVGLSA-N 2 1 240.391 2.081 10 0 BEAEMP C[NH2+]C[C@@H]1CC[N@H+]([C@H]2C[C@@H]2c2ccccc2)C1 ZINC000250770551 635495464 /nfs/dbraw/zinc/49/54/64/635495464.db2.gz UTUQLICAIZRQDS-CFVMTHIKSA-N 2 1 230.355 2.084 10 0 BEAEMP C[N@H+](CCC[NH2+]C1CC1)Cc1ccc(F)cc1 ZINC000042437094 637246531 /nfs/dbraw/zinc/24/65/31/637246531.db2.gz QYEAWKIIYCYICK-UHFFFAOYSA-N 2 1 236.334 2.400 10 0 BEAEMP C[N@@H+](CCC[NH2+]C1CC1)Cc1ccc(F)cc1 ZINC000042437094 637246540 /nfs/dbraw/zinc/24/65/40/637246540.db2.gz QYEAWKIIYCYICK-UHFFFAOYSA-N 2 1 236.334 2.400 10 0 BEAEMP C[N@H+]1CCC[C@@H](C[NH2+]CCc2ccccc2)C1 ZINC000044535229 640400824 /nfs/dbraw/zinc/40/08/24/640400824.db2.gz BVIBDNVSZMCKPK-HNNXBMFYSA-N 2 1 232.371 2.161 10 0 BEAEMP C[NH2+]C1CC[NH+]([C@H]2C[C@H]2c2ccccc2)CC1 ZINC000044677410 640452754 /nfs/dbraw/zinc/45/27/54/640452754.db2.gz CEFMBDBBIOFTRZ-GJZGRUSLSA-N 2 1 230.355 2.226 10 0 BEAEMP C[NH2+]C1CC[NH+]([C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000044677408 640453371 /nfs/dbraw/zinc/45/33/71/640453371.db2.gz CEFMBDBBIOFTRZ-CABCVRRESA-N 2 1 230.355 2.226 10 0 BEAEMP C[C@H]1CCOC2(CC(C)(C)[NH2+]C(C)(C)C2)[NH2+]1 ZINC000757149116 643332212 /nfs/dbraw/zinc/33/22/12/643332212.db2.gz PPVQTWOTNOUAIH-JTQLQIEISA-N 2 1 226.364 2.022 10 0 BEAEMP Cc1cccc([C@H]2C[C@@H]([NH3+])CC[N@@H+]2C)c1 ZINC000074204364 643654923 /nfs/dbraw/zinc/65/49/23/643654923.db2.gz LVJRACXGEULFOF-QWHCGFSZSA-N 2 1 204.317 2.089 10 0 BEAEMP C[N@@H+](CCc1cccs1)[C@H]1CCC[NH2+]CC1 ZINC000086441809 644137290 /nfs/dbraw/zinc/13/72/90/644137290.db2.gz AFKDGIUYCIZNMM-LBPRGKRZSA-N 2 1 238.400 2.365 10 0 BEAEMP CC(F)(F)CCC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000718574237 711661250 /nfs/dbraw/zinc/66/12/50/711661250.db2.gz YYWKZCDTFGPJFE-DCAQKATOSA-N 2 1 232.318 2.091 10 0 BEAEMP C[C@H]1C[N@@H+](CC2CCCC2)CC[C@@H]1C[NH3+] ZINC000133086848 710968192 /nfs/dbraw/zinc/96/81/92/710968192.db2.gz PZPJIZOQRIANKW-WCQYABFASA-N 2 1 210.365 2.093 10 0 BEAEMP CC(C)[C@@H](C)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000709867365 712229818 /nfs/dbraw/zinc/22/98/18/712229818.db2.gz JCTKZZCBSQGKTR-CHWSQXEVSA-N 2 1 210.365 2.106 10 0 BEAEMP CO[C@@H]1C[N@@H+](C[C@@H](C)C(C)(C)C)[C@@](C)(C[NH3+])C1 ZINC000710765679 712256658 /nfs/dbraw/zinc/25/66/58/712256658.db2.gz SCUGPKOVDFPJBL-MBNYWOFBSA-N 2 1 242.407 2.107 10 0 BEAEMP C[C@@H](C[N@H+]1CC2CC1(C[NH3+])C2)C(C)(C)C ZINC000711184780 712288298 /nfs/dbraw/zinc/28/82/98/712288298.db2.gz RDTGCTZAKNKXCZ-ZBOXLXRLSA-N 2 1 210.365 2.092 10 0 BEAEMP CC[C@H]1CCC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000037478635 712647803 /nfs/dbraw/zinc/64/78/03/712647803.db2.gz YSDMFQMZNNZPHB-LBPRGKRZSA-N 2 1 210.365 2.251 10 0 BEAEMP CC[N@H+]1CC[C@@H]([NH3+])[C@@]12C[C@H](C)C[C@H](C)C2 ZINC000685953108 538897363 /nfs/dbraw/zinc/89/73/63/538897363.db2.gz GBUWERBLNYSNPA-XQHKEYJVSA-N 2 1 210.365 2.234 10 0 BEAEMP CCCc1ccc([C@H]2C[NH2+]C[C@@]2(C)[NH3+])cc1 ZINC000685965361 538911804 /nfs/dbraw/zinc/91/18/04/538911804.db2.gz BALJASYZGZYNFY-ZIAGYGMSSA-N 2 1 218.344 2.043 10 0 BEAEMP CCCc1cccc([C@H]2C[NH2+]C[C@@]2(C)[NH3+])c1 ZINC000685965612 538912680 /nfs/dbraw/zinc/91/26/80/538912680.db2.gz LDPYQMUJUQIXJD-ZIAGYGMSSA-N 2 1 218.344 2.043 10 0 BEAEMP CCC[C@@H]1C[C@H]1[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000378712575 346812672 /nfs/dbraw/zinc/81/26/72/346812672.db2.gz VDUPWUSEVQNAQH-RFQIPJPRSA-N 2 1 224.392 2.495 10 0 BEAEMP Cc1cc(C[NH2+]C2CC[NH+](C)CC2)cc(C)c1O ZINC000037248701 178019261 /nfs/dbraw/zinc/01/92/61/178019261.db2.gz URYHUEURWPTLLT-UHFFFAOYSA-N 2 1 248.370 2.193 10 0 BEAEMP C[N@H+](Cc1ccc(F)cc1)C[C@H]1CCC[NH2+]C1 ZINC000042437129 398172287 /nfs/dbraw/zinc/17/22/87/398172287.db2.gz NYUXHEWHGVFCSV-ZDUSSCGKSA-N 2 1 236.334 2.257 10 0 BEAEMP C[C@@H]1C[N@@H+](C[C@@H]2CCCCC2(F)F)CC[C@H]1[NH3+] ZINC000381623629 398254831 /nfs/dbraw/zinc/25/48/31/398254831.db2.gz SUDJKLNVDHTOSJ-GRYCIOLGSA-N 2 1 246.345 2.481 10 0 BEAEMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000381596803 398265760 /nfs/dbraw/zinc/26/57/60/398265760.db2.gz FPLNFIPFJYBLPA-RYUDHWBXSA-N 2 1 246.345 2.353 10 0 BEAEMP CCC(CC)[N@H+](CCOC)C[C@@H]1CCCC[NH2+]1 ZINC000042681739 168374207 /nfs/dbraw/zinc/37/42/07/168374207.db2.gz DWPSREOWJNOSME-ZDUSSCGKSA-N 2 1 242.407 2.266 10 0 BEAEMP CCC(CC)[N@@H+](CCOC)C[C@@H]1CCCC[NH2+]1 ZINC000042681739 168374208 /nfs/dbraw/zinc/37/42/08/168374208.db2.gz DWPSREOWJNOSME-ZDUSSCGKSA-N 2 1 242.407 2.266 10 0 BEAEMP CC[N@@H+]1CCCC[C@H]1[C@@H]1CCCCC[NH2+]1 ZINC000022872627 342816392 /nfs/dbraw/zinc/81/63/92/342816392.db2.gz AHUOOIMPGMLGTN-STQMWFEESA-N 2 1 210.365 2.393 10 0 BEAEMP CC[N@H+]1CCCC[C@H]1[C@@H]1CCCCC[NH2+]1 ZINC000022872627 342816394 /nfs/dbraw/zinc/81/63/94/342816394.db2.gz AHUOOIMPGMLGTN-STQMWFEESA-N 2 1 210.365 2.393 10 0 BEAEMP C[C@@H]1CCCC[N@H+]1[C@@H]1CCC[C@H](C[NH3+])C1 ZINC000108323150 539027652 /nfs/dbraw/zinc/02/76/52/539027652.db2.gz NKGDPTOUTPIVSK-FRRDWIJNSA-N 2 1 210.365 2.378 10 0 BEAEMP C/C(=C/Cl)C[N@@H+]1C[C@H](C)[C@](C)(C[NH3+])C1 ZINC000308471705 346875409 /nfs/dbraw/zinc/87/54/09/346875409.db2.gz IZPRHUSWZDKHAP-RJAQEEFZSA-N 2 1 216.756 2.046 10 0 BEAEMP C[C@H]1CC[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000211941897 343017301 /nfs/dbraw/zinc/01/73/01/343017301.db2.gz VXNXCXPREGVHLD-LBPRGKRZSA-N 2 1 230.355 2.174 10 0 BEAEMP CC[N@@H+]1CCCC[C@@H]1[C@H]1CCCCC[NH2+]1 ZINC000022129784 343041230 /nfs/dbraw/zinc/04/12/30/343041230.db2.gz AHUOOIMPGMLGTN-CHWSQXEVSA-N 2 1 210.365 2.393 10 0 BEAEMP CC[N@H+]1CCCC[C@@H]1[C@H]1CCCCC[NH2+]1 ZINC000022129784 343041232 /nfs/dbraw/zinc/04/12/32/343041232.db2.gz AHUOOIMPGMLGTN-CHWSQXEVSA-N 2 1 210.365 2.393 10 0 BEAEMP CC[NH+]1CCC([NH2+][C@@H](C)C2(C)CC2)CC1 ZINC000038098038 343063617 /nfs/dbraw/zinc/06/36/17/343063617.db2.gz AKNPVAMWWKDNGJ-NSHDSACASA-N 2 1 210.365 2.249 10 0 BEAEMP c1cc2n(c1)[C@H]1CCCC[C@H]1[NH2+]C21CC[NH2+]CC1 ZINC000144315100 343132696 /nfs/dbraw/zinc/13/26/96/343132696.db2.gz VIIBZNSRDLMKHQ-OLZOCXBDSA-N 2 1 245.370 2.154 10 0 BEAEMP C/C=C/C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917824 187254389 /nfs/dbraw/zinc/25/43/89/187254389.db2.gz UGSKWHCCZUCHPV-IVPXFZNXSA-N 2 1 208.349 2.027 10 0 BEAEMP CCCCC[NH2+][C@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000036907538 343327538 /nfs/dbraw/zinc/32/75/38/343327538.db2.gz YUXAOOKQNMXUKB-XQQFMLRXSA-N 2 1 212.381 2.495 10 0 BEAEMP CC(C)[C@H](C)[N@@H+](C)Cc1cccc(C(N)=[NH2+])c1 ZINC000036787472 187258570 /nfs/dbraw/zinc/25/85/70/187258570.db2.gz SPNYVQCHSNVESY-NSHDSACASA-N 2 1 233.359 2.447 10 0 BEAEMP CC(C)C[C@H](C)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000379976769 365772476 /nfs/dbraw/zinc/77/24/76/365772476.db2.gz QVVKZSJKZKVOIC-FRRDWIJNSA-N 2 1 212.381 2.338 10 0 BEAEMP CCc1[nH+]ccn1[C@@H](C[NH3+])c1cccc(F)c1 ZINC000042973269 187266837 /nfs/dbraw/zinc/26/68/37/187266837.db2.gz DIXSPQDYOQQGGN-LBPRGKRZSA-N 2 1 233.290 2.133 10 0 BEAEMP CCc1[nH+]ccn1[C@@H](C[NH3+])c1ccccc1C ZINC000043038030 187267186 /nfs/dbraw/zinc/26/71/86/187267186.db2.gz UTIMJICWXQOQJS-ZDUSSCGKSA-N 2 1 229.327 2.302 10 0 BEAEMP C[C@@H]([NH3+])c1ccccc1N(C)[C@@H]1CCC[N@@H+](C)C1 ZINC000053245585 187271136 /nfs/dbraw/zinc/27/11/36/187271136.db2.gz ZDOPDCRIMQLOIT-CHWSQXEVSA-N 2 1 247.386 2.237 10 0 BEAEMP Cc1cccc([C@@H](C)C[NH2+][C@H]2CC[NH2+]C2)c1 ZINC000215652133 349905480 /nfs/dbraw/zinc/90/54/80/349905480.db2.gz MXELIPCCEYLUOI-JSGCOSHPSA-N 2 1 218.344 2.050 10 0 BEAEMP Cc1ccc([C@@H](C)C[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000215652794 349905655 /nfs/dbraw/zinc/90/56/55/349905655.db2.gz UZXQTQYKDAEPGR-JSGCOSHPSA-N 2 1 218.344 2.050 10 0 BEAEMP CC[C@@H](C)C[NH2+]C[C@H](C)[NH+](CC)CC ZINC000133521672 344319099 /nfs/dbraw/zinc/31/90/99/344319099.db2.gz WGTJHKIPXMENRT-NEPJUHHUSA-N 2 1 200.370 2.352 10 0 BEAEMP Cc1ccc(F)c(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000634998069 345197036 /nfs/dbraw/zinc/19/70/36/345197036.db2.gz AHFLQVFFPQKLAF-AAEUAGOBSA-N 2 1 236.334 2.161 10 0 BEAEMP CCOc1cccc(C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000634999900 345202039 /nfs/dbraw/zinc/20/20/39/345202039.db2.gz BWSUAAWMLIYNOP-JSGCOSHPSA-N 2 1 248.370 2.112 10 0 BEAEMP Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)o1 ZINC000635010950 345212701 /nfs/dbraw/zinc/21/27/01/345212701.db2.gz WTIOIFBRYAAMCN-NWDGAFQWSA-N 2 1 222.332 2.066 10 0 BEAEMP C[N@H+](Cc1cc(C[NH3+])c(F)cc1F)C1CC1 ZINC000669380147 537984420 /nfs/dbraw/zinc/98/44/20/537984420.db2.gz RHACTFCQDXDMEG-UHFFFAOYSA-N 2 1 226.270 2.018 10 0 BEAEMP C[N@@H+](Cc1cc(C[NH3+])c(F)cc1F)C1CC1 ZINC000669380147 537984428 /nfs/dbraw/zinc/98/44/28/537984428.db2.gz RHACTFCQDXDMEG-UHFFFAOYSA-N 2 1 226.270 2.018 10 0 BEAEMP CC(C)[N@@H+](C)Cc1cc(C[NH3+])c(F)cc1F ZINC000669380449 537989354 /nfs/dbraw/zinc/98/93/54/537989354.db2.gz ZPNWJHYBSWKECD-UHFFFAOYSA-N 2 1 228.286 2.264 10 0 BEAEMP Cc1ccccc1C[N@H+](C)C[C@H]1C[NH2+]C[C@@H]1C ZINC000104213308 179270747 /nfs/dbraw/zinc/27/07/47/179270747.db2.gz SSVDUVPVOMMYDF-DZGCQCFKSA-N 2 1 232.371 2.282 10 0 BEAEMP Cc1ccccc1C[N@@H+](C)[C@H](C)[C@@H](C)[NH3+] ZINC000042436038 179269334 /nfs/dbraw/zinc/26/93/34/179269334.db2.gz DBHKCKSZWRCNBD-VXGBXAGGSA-N 2 1 206.333 2.163 10 0 BEAEMP Cc1ccccc1C[N@H+](C)[C@H](C)[C@@H](C)[NH3+] ZINC000042436038 179269335 /nfs/dbraw/zinc/26/93/35/179269335.db2.gz DBHKCKSZWRCNBD-VXGBXAGGSA-N 2 1 206.333 2.163 10 0 BEAEMP Cc1ccccc1C[N@@H+]1CC[NH2+]CC[C@@H]1C ZINC000062609129 179274025 /nfs/dbraw/zinc/27/40/25/179274025.db2.gz VTYJGUZRDCWZLM-ZDUSSCGKSA-N 2 1 218.344 2.179 10 0 BEAEMP C[C@@H]1C[C@H](C)[NH2+][C@H](C[NH+]2CCCCC2)C1 ZINC000669381788 537996411 /nfs/dbraw/zinc/99/64/11/537996411.db2.gz VLCSIZYULOYTOY-AGIUHOORSA-N 2 1 210.365 2.249 10 0 BEAEMP CC[C@@H]([NH3+])[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000037116224 348021070 /nfs/dbraw/zinc/02/10/70/348021070.db2.gz ASHOEEGDBJWQIN-WCQYABFASA-N 2 1 206.333 2.244 10 0 BEAEMP CC[C@@H]([NH3+])[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000037116224 348021072 /nfs/dbraw/zinc/02/10/72/348021072.db2.gz ASHOEEGDBJWQIN-WCQYABFASA-N 2 1 206.333 2.244 10 0 BEAEMP Cc1cccnc1C[N@@H+]1CC[C@@H](C)[NH2+]C[C@H](C)C1 ZINC000071345083 179376931 /nfs/dbraw/zinc/37/69/31/179376931.db2.gz KSHXTMXWOINATJ-GXTWGEPZSA-N 2 1 247.386 2.210 10 0 BEAEMP Cc1[nH+]ccn1CC[NH2+]CCc1ccccc1 ZINC000049329867 180260758 /nfs/dbraw/zinc/26/07/58/180260758.db2.gz XMKSQFABQCQYEQ-UHFFFAOYSA-N 2 1 229.327 2.024 10 0 BEAEMP Cc1[nH+]ccn1CC[NH2+]CCCc1ccccc1 ZINC000049330203 180260875 /nfs/dbraw/zinc/26/08/75/180260875.db2.gz ZLKJUNUPVFCDEY-UHFFFAOYSA-N 2 1 243.354 2.414 10 0 BEAEMP Cc1[nH+]ccn1CCOc1ccc([C@H](C)[NH3+])cc1 ZINC000049329344 180263283 /nfs/dbraw/zinc/26/32/83/180263283.db2.gz QOHLTPSSOXSALQ-NSHDSACASA-N 2 1 245.326 2.290 10 0 BEAEMP Cc1[nH+]ccn1[C@@H](c1ccc(F)cc1)[C@@H](C)[NH3+] ZINC000042915853 180271466 /nfs/dbraw/zinc/27/14/66/180271466.db2.gz MLJBYISACZGJDJ-NOZJJQNGSA-N 2 1 233.290 2.267 10 0 BEAEMP Cc1[nH+]ccn1[C@@H](CC[NH3+])c1ccccc1 ZINC000055017776 180271598 /nfs/dbraw/zinc/27/15/98/180271598.db2.gz IPDQHDAFTMVJMA-ZDUSSCGKSA-N 2 1 215.300 2.130 10 0 BEAEMP Cc1[nH+]ccn1[C@@H]1CCCCC[C@H]1C[NH3+] ZINC000037159992 180272300 /nfs/dbraw/zinc/27/23/00/180272300.db2.gz RTCJNKCWBUVEJM-NWDGAFQWSA-N 2 1 207.321 2.272 10 0 BEAEMP Cc1[nH+]cn([C@H]2Cc3ccccc3[C@H]2[NH3+])c1C ZINC000051926452 180288988 /nfs/dbraw/zinc/28/89/88/180288988.db2.gz LDMPNTXERQRTJD-UONOGXRCSA-N 2 1 227.311 2.297 10 0 BEAEMP Cc1[nH+]cn([C@@H](C[NH3+])c2ccccc2)c1C ZINC000051925867 180289715 /nfs/dbraw/zinc/28/97/15/180289715.db2.gz MQKRDWUNAFJBLU-ZDUSSCGKSA-N 2 1 215.300 2.048 10 0 BEAEMP Cc1[nH+]cn([C@@H]2CCCC[C@@H]2C[NH3+])c1C ZINC000051926063 180289832 /nfs/dbraw/zinc/28/98/32/180289832.db2.gz HSRPIGQHXDWNRT-VXGBXAGGSA-N 2 1 207.321 2.190 10 0 BEAEMP Cc1[nH+]cn([C@H]2CCCC[C@H]2C[NH3+])c1C ZINC000051926066 180289841 /nfs/dbraw/zinc/28/98/41/180289841.db2.gz HSRPIGQHXDWNRT-RYUDHWBXSA-N 2 1 207.321 2.190 10 0 BEAEMP Cc1[nH+]cn([C@@H](c2ccsc2)[C@@H](C)[NH3+])c1C ZINC000051925923 180290001 /nfs/dbraw/zinc/29/00/01/180290001.db2.gz NFQIHXUGFQNRAE-PRHODGIISA-N 2 1 235.356 2.498 10 0 BEAEMP CC[N@H+]1CCC[C@H]([C@@H]2CCCCC[NH2+]2)C1 ZINC000039101442 350331606 /nfs/dbraw/zinc/33/16/06/350331606.db2.gz SJSOQIPWFQABOH-STQMWFEESA-N 2 1 210.365 2.251 10 0 BEAEMP CC(C)C[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H]1C[C@@H]1C ZINC000336650158 350575516 /nfs/dbraw/zinc/57/55/16/350575516.db2.gz DPEWTJHYRJYMND-MELADBBJSA-N 2 1 224.392 2.352 10 0 BEAEMP CC(C)C[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H]1C[C@@H]1C ZINC000336650158 350575518 /nfs/dbraw/zinc/57/55/18/350575518.db2.gz DPEWTJHYRJYMND-MELADBBJSA-N 2 1 224.392 2.352 10 0 BEAEMP CC(C)C[N@@H+](C[C@@]1(C)CC[NH2+]C1)C1CC1 ZINC000062911930 350562727 /nfs/dbraw/zinc/56/27/27/350562727.db2.gz GGVUQWWZOPBDOX-ZDUSSCGKSA-N 2 1 210.365 2.106 10 0 BEAEMP CC(C)C[N@@H+](C[C@@]1(C)CC[NH2+]C1)C(C)C ZINC000062911948 350562737 /nfs/dbraw/zinc/56/27/37/350562737.db2.gz JYYIIHAECUSKEI-ZDUSSCGKSA-N 2 1 212.381 2.352 10 0 BEAEMP CC(C)C[N@@H+](C[C@]1(C)CC[NH2+]C1)C(C)C ZINC000062911947 350562927 /nfs/dbraw/zinc/56/29/27/350562927.db2.gz JYYIIHAECUSKEI-CYBMUJFWSA-N 2 1 212.381 2.352 10 0 BEAEMP Cc1ccc(Cl)c([C@@H]([NH3+])CC[NH3+])c1F ZINC000306698720 350847974 /nfs/dbraw/zinc/84/79/74/350847974.db2.gz DEWMZBFXIZMDNQ-QMMMGPOBSA-N 2 1 216.687 2.136 10 0 BEAEMP C[N@H+]1CCC[C@H](C[NH3+])[C@H]1c1ccsc1 ZINC000250566233 350882257 /nfs/dbraw/zinc/88/22/57/350882257.db2.gz DGYQZTOEKOLBBM-KOLCDFICSA-N 2 1 210.346 2.090 10 0 BEAEMP C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000306824528 351131925 /nfs/dbraw/zinc/13/19/25/351131925.db2.gz USAALUUCCKLXMC-LSDHHAIUSA-N 2 1 230.355 2.070 10 0 BEAEMP C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000306824528 351131935 /nfs/dbraw/zinc/13/19/35/351131935.db2.gz USAALUUCCKLXMC-LSDHHAIUSA-N 2 1 230.355 2.070 10 0 BEAEMP C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000306824528 351131940 /nfs/dbraw/zinc/13/19/40/351131940.db2.gz USAALUUCCKLXMC-LSDHHAIUSA-N 2 1 230.355 2.070 10 0 BEAEMP C[C@@H]1CCC[N@H+](C2CCC3(C[C@H]3[NH3+])CC2)C1 ZINC000725270479 538102163 /nfs/dbraw/zinc/10/21/63/538102163.db2.gz OJXCWMMYSHDLCO-NELGMTEASA-N 2 1 222.376 2.378 10 0 BEAEMP C[NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000034825308 188284838 /nfs/dbraw/zinc/28/48/38/188284838.db2.gz FQUPKHKHOPJPCL-UHFFFAOYSA-N 2 1 219.263 2.039 10 0 BEAEMP CC(C)[N@@H+](C)CCCCNC(=[NH2+])NC(C)(C)C ZINC000052044108 188299503 /nfs/dbraw/zinc/29/95/03/188299503.db2.gz VOVQHPZLMFZSKF-UHFFFAOYSA-N 2 1 242.411 2.019 10 0 BEAEMP COc1ccc(C[N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)cc1 ZINC000070199452 188304535 /nfs/dbraw/zinc/30/45/35/188304535.db2.gz GZPCMLPHWOEBGV-GXTWGEPZSA-N 2 1 248.370 2.254 10 0 BEAEMP Cc1[nH+]ccn1-c1ccc(Cl)cc1C[NH3+] ZINC000052857903 188333581 /nfs/dbraw/zinc/33/35/81/188333581.db2.gz QWZQZFCHJIJJQO-UHFFFAOYSA-N 2 1 221.691 2.293 10 0 BEAEMP Cc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)nc1C ZINC000578004871 366173622 /nfs/dbraw/zinc/17/36/22/366173622.db2.gz CRBPHMYLOQRABW-KBPBESRZSA-N 2 1 247.386 2.176 10 0 BEAEMP CC(=[NH2+])N[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000405968871 355461201 /nfs/dbraw/zinc/46/12/01/355461201.db2.gz SXJRTVFGBFCCCF-CQSZACIVSA-N 2 1 231.343 2.238 10 0 BEAEMP CC[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1c1cccc(F)c1 ZINC000675055616 538475778 /nfs/dbraw/zinc/47/57/78/538475778.db2.gz VXVXVWJHMVNECP-CHWSQXEVSA-N 2 1 222.307 2.310 10 0 BEAEMP CC[N@H+]1CC[C@@H]([NH3+])C[C@@H]1c1cccc(F)c1 ZINC000675055616 538475780 /nfs/dbraw/zinc/47/57/80/538475780.db2.gz VXVXVWJHMVNECP-CHWSQXEVSA-N 2 1 222.307 2.310 10 0 BEAEMP C[C@@H]1C[NH2+]C[C@@H](C)C1[N@H+]1CCCC1(C)C ZINC000685951372 538894815 /nfs/dbraw/zinc/89/48/15/538894815.db2.gz RMTLHLBEAMRCFX-GHMZBOCLSA-N 2 1 210.365 2.105 10 0 BEAEMP C[C@H]([N@@H+](C)C[C@@]1(C)CC[NH2+]C1)C(C)(C)C ZINC000219863053 358015068 /nfs/dbraw/zinc/01/50/68/358015068.db2.gz VHKPDJACYGASJG-AAEUAGOBSA-N 2 1 212.381 2.352 10 0 BEAEMP CCCC[C@@H](C[NH3+])Nc1[nH]c2ccccc2[nH+]1 ZINC000130519805 358629909 /nfs/dbraw/zinc/62/99/09/358629909.db2.gz NWPKMTLKTODZTG-JTQLQIEISA-N 2 1 232.331 2.492 10 0 BEAEMP C[N@H+]1CCC[C@@H]2C[NH+](CC(C)(C)C)CC[C@H]21 ZINC000092043325 360147412 /nfs/dbraw/zinc/14/74/12/360147412.db2.gz NMUUSSWUGRSSTO-CHWSQXEVSA-N 2 1 224.392 2.449 10 0 BEAEMP C[NH+]1CCC[C@@H]2C[N@H+](CC(C)(C)C)CC[C@H]21 ZINC000092043325 360147414 /nfs/dbraw/zinc/14/74/14/360147414.db2.gz NMUUSSWUGRSSTO-CHWSQXEVSA-N 2 1 224.392 2.449 10 0 BEAEMP C[NH+]1CCC[C@@H]2C[N@@H+](CC(C)(C)C)CC[C@H]21 ZINC000092043325 360147418 /nfs/dbraw/zinc/14/74/18/360147418.db2.gz NMUUSSWUGRSSTO-CHWSQXEVSA-N 2 1 224.392 2.449 10 0 BEAEMP [NH3+]C1(C[N@H+]2CCCSCC2)CCCCC1 ZINC000042444938 181330773 /nfs/dbraw/zinc/33/07/73/181330773.db2.gz SWUXHTPTXHCVHL-UHFFFAOYSA-N 2 1 228.405 2.087 10 0 BEAEMP Cc1cc(C)cc([C@H]2C[C@H]([NH3+])CC[N@@H+]2C)c1 ZINC000074081415 541313012 /nfs/dbraw/zinc/31/30/12/541313012.db2.gz IOSQOEUPJUENIE-ZIAGYGMSSA-N 2 1 218.344 2.397 10 0 BEAEMP CCOc1ccccc1[C@@H]([NH3+])CC[NH2+]C(C)C ZINC000725263478 541336402 /nfs/dbraw/zinc/33/64/02/541336402.db2.gz IJXCCBFOOWVNKN-ZDUSSCGKSA-N 2 1 236.359 2.473 10 0 BEAEMP [NH3+]CC1(C[N@H+]2CCc3ccccc3C2)CCC1 ZINC000058082626 181358626 /nfs/dbraw/zinc/35/86/26/181358626.db2.gz OGYTWZJCPLTDJC-UHFFFAOYSA-N 2 1 230.355 2.174 10 0 BEAEMP Cc1cc(N[C@H]2CC[C@H](C[NH3+])CC2)nc(C)[nH+]1 ZINC000630558068 364257244 /nfs/dbraw/zinc/25/72/44/364257244.db2.gz WMGFLEVLCAKQBX-HAQNSBGRSA-N 2 1 234.347 2.023 10 0 BEAEMP [NH3+]CCCCC[N@H+]1CCOc2ccccc2C1 ZINC000063012412 181375330 /nfs/dbraw/zinc/37/53/30/181375330.db2.gz DIHWQVQRESCMAO-UHFFFAOYSA-N 2 1 234.343 2.010 10 0 BEAEMP [NH3+]CC[N@H+](C[C@@H]1CCCO1)CC1CCCCC1 ZINC000076622618 181390820 /nfs/dbraw/zinc/39/08/20/181390820.db2.gz STNCYDWNJZFAAM-AWEZNQCLSA-N 2 1 240.391 2.006 10 0 BEAEMP [NH3+]CC[N@@H+](C[C@@H]1CCCO1)CC1CCCCC1 ZINC000076622618 181390821 /nfs/dbraw/zinc/39/08/21/181390821.db2.gz STNCYDWNJZFAAM-AWEZNQCLSA-N 2 1 240.391 2.006 10 0 BEAEMP CC[C@H](C)[C@H](C)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000379797517 365273579 /nfs/dbraw/zinc/27/35/79/365273579.db2.gz KVWGEBMBFWNVRB-QNWHQSFQSA-N 2 1 212.381 2.338 10 0 BEAEMP [NH3+][C@@H]1CCC[C@]12CC[N@@H+](Cc1ccccc1)C2 ZINC000101467046 368383746 /nfs/dbraw/zinc/38/37/46/368383746.db2.gz XSLBNUDXCRSMOS-HUUCEWRRSA-N 2 1 230.355 2.390 10 0 BEAEMP Cc1ccc(F)cc1C[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631837389 369093843 /nfs/dbraw/zinc/09/38/43/369093843.db2.gz BADIHTYRQLVLSP-YPMHNXCESA-N 2 1 236.334 2.161 10 0 BEAEMP C/C=C/C[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000230027873 371637335 /nfs/dbraw/zinc/63/73/35/371637335.db2.gz IMOHZXLWSBQEII-NSCUHMNNSA-N 2 1 218.344 2.414 10 0 BEAEMP Cc1ccc(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)cc1C ZINC000631837648 372628836 /nfs/dbraw/zinc/62/88/36/372628836.db2.gz DMPVVFJVZVNNRC-ZFWWWQNUSA-N 2 1 232.371 2.330 10 0 BEAEMP COc1cccc([C@H](C)[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000631840133 372636547 /nfs/dbraw/zinc/63/65/47/372636547.db2.gz PWIAYWFXDQKFHQ-DYEKYZERSA-N 2 1 248.370 2.283 10 0 BEAEMP C[C@H](c1ccccc1F)[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631841635 372637878 /nfs/dbraw/zinc/63/78/78/372637878.db2.gz NKARUANFGWFBQI-UTUOFQBUSA-N 2 1 236.334 2.413 10 0 BEAEMP CC[N@H+]1CC[C@H](C[NH3+])[C@@H]1c1ccsc1 ZINC000069797150 373807868 /nfs/dbraw/zinc/80/78/68/373807868.db2.gz NELRLMCURWMTCL-MWLCHTKSSA-N 2 1 210.346 2.090 10 0 BEAEMP CCC[N@@H+](CC)Cc1ccc(F)cc1C(N)=[NH2+] ZINC000071267629 169129469 /nfs/dbraw/zinc/12/94/69/169129469.db2.gz IVCUNNJKVIYQKT-UHFFFAOYSA-N 2 1 237.322 2.342 10 0 BEAEMP CCC[N@@H+](CCO)C[C@](C)(CC)C[NH2+]C(C)C ZINC000051252812 169165626 /nfs/dbraw/zinc/16/56/26/169165626.db2.gz NRXOLQQEJJSSRR-CQSZACIVSA-N 2 1 244.423 2.105 10 0 BEAEMP CCC[N@@H+](Cc1occc1C[NH2+]C)C1CC1 ZINC000052448921 169181363 /nfs/dbraw/zinc/18/13/63/169181363.db2.gz VFFBGPHRYZLYCO-UHFFFAOYSA-N 2 1 222.332 2.373 10 0 BEAEMP CCC[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000105876427 169186309 /nfs/dbraw/zinc/18/63/09/169186309.db2.gz YGWVRFTWHLYUJQ-UHFFFAOYSA-N 2 1 221.348 2.085 10 0 BEAEMP CCC[N@H+]1CCC[NH2+][C@@H](Cc2ccccc2)C1 ZINC000062615877 169194321 /nfs/dbraw/zinc/19/43/21/169194321.db2.gz AFNUPNDIYASCSJ-HNNXBMFYSA-N 2 1 232.371 2.303 10 0 BEAEMP CCC[NH2+]CCCCC[N@H+]1CCOCC1(C)C ZINC000052546169 169256490 /nfs/dbraw/zinc/25/64/90/169256490.db2.gz OMLBQZHOLWYEHW-UHFFFAOYSA-N 2 1 242.407 2.267 10 0 BEAEMP CCC[NH2+]CCC[C@H](C)[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000052476610 169258604 /nfs/dbraw/zinc/25/86/04/169258604.db2.gz RXLHNXSIERXFET-IHRRRGAJSA-N 2 1 242.407 2.264 10 0 BEAEMP CCC[NH2+][C@H](C)CCC[N@H+]1CCCO[C@H](C)C1 ZINC000061916990 169286521 /nfs/dbraw/zinc/28/65/21/169286521.db2.gz BOJCPVRUSNBINX-ZIAGYGMSSA-N 2 1 242.407 2.266 10 0 BEAEMP CCC[NH2+]Cc1cc(C[N@@H+](CC)C(C)C)on1 ZINC000052446779 169265877 /nfs/dbraw/zinc/26/58/77/169265877.db2.gz SMGDKDPBXVTKSL-UHFFFAOYSA-N 2 1 239.363 2.405 10 0 BEAEMP CCC[NH2+]Cc1ccnc(-n2cc[nH+]c2C)c1 ZINC000051490988 169268464 /nfs/dbraw/zinc/26/84/64/169268464.db2.gz RASDLDTWLOZNDI-UHFFFAOYSA-N 2 1 230.315 2.075 10 0 BEAEMP CCC[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000037241733 169291632 /nfs/dbraw/zinc/29/16/32/169291632.db2.gz XYWRZKHWYPJLJI-LBPRGKRZSA-N 2 1 210.365 2.393 10 0 BEAEMP CCC[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000037241733 169291634 /nfs/dbraw/zinc/29/16/34/169291634.db2.gz XYWRZKHWYPJLJI-LBPRGKRZSA-N 2 1 210.365 2.393 10 0 BEAEMP CC[C@@H]1CC[N@H+]([C@@H](C)C(C)C)CCC[NH2+]1 ZINC000049662747 171014221 /nfs/dbraw/zinc/01/42/21/171014221.db2.gz ZAOHQEDBLJACCZ-QWHCGFSZSA-N 2 1 212.381 2.495 10 0 BEAEMP [NH3+][C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Cl)nc1 ZINC000095072274 384343899 /nfs/dbraw/zinc/34/38/99/384343899.db2.gz CFFROILXKPQEOQ-MNOVXSKESA-N 2 1 239.750 2.095 10 0 BEAEMP C[NH+](C)CC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000095074237 384349809 /nfs/dbraw/zinc/34/98/09/384349809.db2.gz QZSJRXMQIBBGSH-OAHLLOKOSA-N 2 1 232.371 2.460 10 0 BEAEMP [NH3+][C@H]1CC[C@H](Nc2[nH]c3ccccc3[nH+]2)CC1 ZINC000100267926 384629170 /nfs/dbraw/zinc/62/91/70/384629170.db2.gz URLZDCSCQXVPAJ-AOOOYVTPSA-N 2 1 230.315 2.245 10 0 BEAEMP C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CC(C)(C)C1 ZINC000335664890 384836892 /nfs/dbraw/zinc/83/68/92/384836892.db2.gz XMDDTJCIVAROGX-NSHDSACASA-N 2 1 210.365 2.106 10 0 BEAEMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H](C)CC1CC1 ZINC000127599781 384905739 /nfs/dbraw/zinc/90/57/39/384905739.db2.gz KHCOFFRSYCWJOZ-NWDGAFQWSA-N 2 1 212.381 2.495 10 0 BEAEMP CCSCC[NH2+]C[C@@H]1CCC[N@@H+]1CC(C)C ZINC000309479637 385605472 /nfs/dbraw/zinc/60/54/72/385605472.db2.gz SQEDSNRSTCRUNQ-ZDUSSCGKSA-N 2 1 244.448 2.450 10 0 BEAEMP CCSCC[NH2+]C[C@@H]1CCC[N@H+]1CC(C)C ZINC000309479637 385605475 /nfs/dbraw/zinc/60/54/75/385605475.db2.gz SQEDSNRSTCRUNQ-ZDUSSCGKSA-N 2 1 244.448 2.450 10 0 BEAEMP CC(C)C[C@H](C)[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000309524343 385667974 /nfs/dbraw/zinc/66/79/74/385667974.db2.gz AWLLNUWPEWNQJE-NWDGAFQWSA-N 2 1 221.348 2.222 10 0 BEAEMP C[C@@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)C(C)(C)C ZINC000309590592 385720740 /nfs/dbraw/zinc/72/07/40/385720740.db2.gz UQGVLJGMZVYRLK-MNOVXSKESA-N 2 1 221.348 2.222 10 0 BEAEMP C[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2CCF)CC1 ZINC000336771303 386033221 /nfs/dbraw/zinc/03/32/21/386033221.db2.gz ULEZIZFQPPZNCD-DGCLKSJQSA-N 2 1 228.355 2.199 10 0 BEAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](C[C@H]3CCC(F)(F)C3)C[C@@H]12 ZINC000310379387 386181014 /nfs/dbraw/zinc/18/10/14/386181014.db2.gz GOOYSOJBRVWXMT-IRCOFANPSA-N 2 1 244.329 2.091 10 0 BEAEMP Cc1ccc(C[N@H+](C)C[C@]2(C)CC[NH2+]C2)cc1 ZINC000062911009 386532583 /nfs/dbraw/zinc/53/25/83/386532583.db2.gz IQVYDUXUHXYXJD-OAHLLOKOSA-N 2 1 232.371 2.426 10 0 BEAEMP C[C@@H]([NH3+])C[C@@H](C)Nc1[nH]c2ccccc2[nH+]1 ZINC000320571682 386621854 /nfs/dbraw/zinc/62/18/54/386621854.db2.gz SKWIDEKRINGKPB-RKDXNWHRSA-N 2 1 218.304 2.101 10 0 BEAEMP C[C@@H]1C[N@H+]([C@H](C2CC2)C2CCC2)C[C@@]1(C)C[NH3+] ZINC000423520338 387352814 /nfs/dbraw/zinc/35/28/14/387352814.db2.gz JWZCQNUYCGDXFR-BYCMXARLSA-N 2 1 236.403 2.482 10 0 BEAEMP CC[C@H]([NH2+][C@H]1CCC[NH2+][C@@H]1C)C1CCC1 ZINC000396687432 387482152 /nfs/dbraw/zinc/48/21/52/387482152.db2.gz YXPZYEATHKVIPP-WXHSDQCUSA-N 2 1 210.365 2.295 10 0 BEAEMP CC(C)CC[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123140983 387658057 /nfs/dbraw/zinc/65/80/57/387658057.db2.gz YZCQQDMLKAWQCE-CHWSQXEVSA-N 2 1 212.381 2.447 10 0 BEAEMP CC(C)CC[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123140983 387658062 /nfs/dbraw/zinc/65/80/62/387658062.db2.gz YZCQQDMLKAWQCE-CHWSQXEVSA-N 2 1 212.381 2.447 10 0 BEAEMP CC(C)CC[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123140983 387658066 /nfs/dbraw/zinc/65/80/66/387658066.db2.gz YZCQQDMLKAWQCE-CHWSQXEVSA-N 2 1 212.381 2.447 10 0 BEAEMP CC(C)CC[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123140983 387658073 /nfs/dbraw/zinc/65/80/73/387658073.db2.gz YZCQQDMLKAWQCE-CHWSQXEVSA-N 2 1 212.381 2.447 10 0 BEAEMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000646090153 388140303 /nfs/dbraw/zinc/14/03/03/388140303.db2.gz XGVGBIPVMITCNQ-REWJHTLYSA-N 2 1 222.376 2.249 10 0 BEAEMP CC[C@H](C(C)C)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000393727006 388438768 /nfs/dbraw/zinc/43/87/68/388438768.db2.gz FQOAIKXUKFMWND-JHJVBQTASA-N 2 1 212.381 2.338 10 0 BEAEMP C[C@H](CCC1CC1)[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000398161378 388518082 /nfs/dbraw/zinc/51/80/82/388518082.db2.gz IGIRFHSTGMGVRR-NQBHXWOUSA-N 2 1 210.365 2.295 10 0 BEAEMP [NH3+][C@]1(c2ccccc2)CC[C@H]2CCC[N@@H+]2C1 ZINC000091690797 388592302 /nfs/dbraw/zinc/59/23/02/388592302.db2.gz LXQAPKLETBYZPR-ZIAGYGMSSA-N 2 1 216.328 2.099 10 0 BEAEMP [NH3+][C@]1(c2ccccc2)CC[C@H]2CCC[N@H+]2C1 ZINC000091690797 388592304 /nfs/dbraw/zinc/59/23/04/388592304.db2.gz LXQAPKLETBYZPR-ZIAGYGMSSA-N 2 1 216.328 2.099 10 0 BEAEMP CC[N@H+]1CC[C@@H]([NH+](C)CC2CC2)[C@H](C)C1 ZINC000128678254 388784891 /nfs/dbraw/zinc/78/48/91/388784891.db2.gz XGTLWMFBTMPVOI-DGCLKSJQSA-N 2 1 210.365 2.059 10 0 BEAEMP CC[NH+]1CC[C@@H]([N@H+](C)CC2CC2)[C@H](C)C1 ZINC000128678254 388784895 /nfs/dbraw/zinc/78/48/95/388784895.db2.gz XGTLWMFBTMPVOI-DGCLKSJQSA-N 2 1 210.365 2.059 10 0 BEAEMP CC[NH+]1CC[C@@H]([N@@H+](C)CC2CC2)[C@H](C)C1 ZINC000128678254 388784899 /nfs/dbraw/zinc/78/48/99/388784899.db2.gz XGTLWMFBTMPVOI-DGCLKSJQSA-N 2 1 210.365 2.059 10 0 BEAEMP C(=C/c1ccccc1)\C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261568763 533353044 /nfs/dbraw/zinc/35/30/44/533353044.db2.gz JJNPIWZTIPLCKW-YOSLTCIPSA-N 2 1 242.366 2.241 10 0 BEAEMP C(=C/c1ccccc1)\C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261568763 533353049 /nfs/dbraw/zinc/35/30/49/533353049.db2.gz JJNPIWZTIPLCKW-YOSLTCIPSA-N 2 1 242.366 2.241 10 0 BEAEMP CC[NH+](CC)c1ccc(N2CC[NH2+][C@H](C)C2)cc1 ZINC000071562500 132394598 /nfs/dbraw/zinc/39/45/98/132394598.db2.gz AJEFCNMKAWGPGD-CYBMUJFWSA-N 2 1 247.386 2.331 10 0 BEAEMP C[C@@H]1CCC[C@H]([N@@H+](C)C[C@@]2(C)CC[NH2+]C2)C1 ZINC000219860693 134292198 /nfs/dbraw/zinc/29/21/98/134292198.db2.gz OIVQKZLRNVMPBW-RDBSUJKOSA-N 2 1 224.392 2.497 10 0 BEAEMP C1CC1N1CCC[C@@H]2C[N@H+](C3CCC3)CC[C@H]21 ZINC000179587046 134321945 /nfs/dbraw/zinc/32/19/45/134321945.db2.gz IJMIXASKKHRQSM-IUODEOHRSA-N 2 1 234.387 2.488 10 0 BEAEMP C1CC1[N@@H+]1CCC[C@@H]2C[NH+](C3CCC3)CC[C@H]21 ZINC000179587046 134321946 /nfs/dbraw/zinc/32/19/46/134321946.db2.gz IJMIXASKKHRQSM-IUODEOHRSA-N 2 1 234.387 2.488 10 0 BEAEMP C1CC1[N@H+]1CCC[C@@H]2C[NH+](C3CCC3)CC[C@H]21 ZINC000179587046 134321947 /nfs/dbraw/zinc/32/19/47/134321947.db2.gz IJMIXASKKHRQSM-IUODEOHRSA-N 2 1 234.387 2.488 10 0 BEAEMP Cc1cccc(N(C)CC[C@@H]([NH3+])C(C)C)[nH+]1 ZINC000227738481 134385441 /nfs/dbraw/zinc/38/54/41/134385441.db2.gz MLLWMLOJDLGUJM-GFCCVEGCSA-N 2 1 221.348 2.200 10 0 BEAEMP CC[C@@H]1CC[C@@H]([NH2+]C[C@H]2CC[N@@H+](CC)C2)C1 ZINC000251797617 135077927 /nfs/dbraw/zinc/07/79/27/135077927.db2.gz XXZBJPDBUSNHMK-MGPQQGTHSA-N 2 1 224.392 2.497 10 0 BEAEMP CC1(C)C[N@@H+](Cc2cccs2)CC[C@H]1[NH3+] ZINC000258899942 135135004 /nfs/dbraw/zinc/13/50/04/135135004.db2.gz UTYBLCUFIPRDGK-LLVKDONJSA-N 2 1 224.373 2.307 10 0 BEAEMP CC1(C)C[N@@H+](CCc2ccccc2)CC[C@@H]1[NH3+] ZINC000259383211 135142712 /nfs/dbraw/zinc/14/27/12/135142712.db2.gz WHWSWGVRLHWJSG-AWEZNQCLSA-N 2 1 232.371 2.288 10 0 BEAEMP C[C@@H]1C[N@H+](C[C@@H]2CCCC(F)(F)C2)C[C@H]1[NH3+] ZINC000261533100 135164151 /nfs/dbraw/zinc/16/41/51/135164151.db2.gz PXHODGAAXOXNAI-GMTAPVOTSA-N 2 1 232.318 2.091 10 0 BEAEMP C[C@@H]1C[N@@H+](C[C@@H]2CCCC(F)(F)C2)C[C@H]1[NH3+] ZINC000261533100 135164153 /nfs/dbraw/zinc/16/41/53/135164153.db2.gz PXHODGAAXOXNAI-GMTAPVOTSA-N 2 1 232.318 2.091 10 0 BEAEMP C[C@H]1CCN(c2cc[nH+]cc2Cl)[C@H](C[NH3+])C1 ZINC000261534451 135167317 /nfs/dbraw/zinc/16/73/17/135167317.db2.gz QJNKEXDNRSXBMN-UWVGGRQHSA-N 2 1 239.750 2.299 10 0 BEAEMP C[C@@]1(C[NH3+])CC[N@@H+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC000261538254 135175633 /nfs/dbraw/zinc/17/56/33/135175633.db2.gz UNHYWDSVERHZFX-NEPJUHHUSA-N 2 1 246.345 2.483 10 0 BEAEMP C[C@@H](c1ccccn1)[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261542718 135183356 /nfs/dbraw/zinc/18/33/56/135183356.db2.gz CJTHWMPULDOHPD-WCQYABFASA-N 2 1 233.359 2.202 10 0 BEAEMP C[C@@H](c1ccccn1)[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261542718 135183357 /nfs/dbraw/zinc/18/33/57/135183357.db2.gz CJTHWMPULDOHPD-WCQYABFASA-N 2 1 233.359 2.202 10 0 BEAEMP CC(C)[C@@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000081043715 135385994 /nfs/dbraw/zinc/38/59/94/135385994.db2.gz YKDGTGNGDJSAKS-FUDCBSFHSA-N 2 1 224.392 2.493 10 0 BEAEMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000394486497 410795487 /nfs/dbraw/zinc/79/54/87/410795487.db2.gz HSMDQQVNBRFMAU-TUAOUCFPSA-N 2 1 246.345 2.481 10 0 BEAEMP C[C@@H]1C[N@H+](C[C@@H]2CCCCC2(F)F)C[C@@H]1[NH3+] ZINC000394497175 410803590 /nfs/dbraw/zinc/80/35/90/410803590.db2.gz INFLILMPIHKFKI-VWYCJHECSA-N 2 1 232.318 2.091 10 0 BEAEMP C[C@@H]1C[N@@H+](C[C@@H]2CCCCC2(F)F)C[C@@H]1[NH3+] ZINC000394497175 410803600 /nfs/dbraw/zinc/80/36/00/410803600.db2.gz INFLILMPIHKFKI-VWYCJHECSA-N 2 1 232.318 2.091 10 0 BEAEMP C[C@H](CCc1ccco1)[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000396591934 410888610 /nfs/dbraw/zinc/88/86/10/410888610.db2.gz UBXOCDAEGVRDNI-DYEKYZERSA-N 2 1 236.359 2.331 10 0 BEAEMP CC(C)[NH2+]CCCC[N@@H+](C)Cc1ccncc1 ZINC000037634945 167102710 /nfs/dbraw/zinc/10/27/10/167102710.db2.gz AXRJKGFXSYGLGA-UHFFFAOYSA-N 2 1 235.375 2.292 10 0 BEAEMP CC(C)[NH2+]CC[N@@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000037477337 167106991 /nfs/dbraw/zinc/10/69/91/167106991.db2.gz GRAYTPDGPOMPSD-ZIAGYGMSSA-N 2 1 224.392 2.497 10 0 BEAEMP CC(C)[NH2+]CC[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000037477337 167106994 /nfs/dbraw/zinc/10/69/94/167106994.db2.gz GRAYTPDGPOMPSD-ZIAGYGMSSA-N 2 1 224.392 2.497 10 0 BEAEMP CC(C)[NH2+]CC[C@H](C)[N@@H+](C)CCc1ccccn1 ZINC000052424008 167108337 /nfs/dbraw/zinc/10/83/37/167108337.db2.gz BUWDHQLHFDWOLG-AWEZNQCLSA-N 2 1 249.402 2.333 10 0 BEAEMP CC(C)[C@@H](C)[N@@H+](C)CC1CCC([NH3+])CC1 ZINC000037482489 167369572 /nfs/dbraw/zinc/36/95/72/167369572.db2.gz IUWZFEWZPMGEBL-PNESKVBLSA-N 2 1 212.381 2.480 10 0 BEAEMP C[C@H]1C[N@@H+](CCCC2CC[NH2+]CC2)CCS1 ZINC000123523584 411153961 /nfs/dbraw/zinc/15/39/61/411153961.db2.gz ROSKDUFNNRATEB-LBPRGKRZSA-N 2 1 242.432 2.204 10 0 BEAEMP CC1CCC(C[N@H+]2CC[C@H](C[NH3+])C2)CC1 ZINC000063145776 168152862 /nfs/dbraw/zinc/15/28/62/168152862.db2.gz QEEQCCAYYHLCRW-WXRRBKDZSA-N 2 1 210.365 2.093 10 0 BEAEMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)CC(C)(C)OC)C1 ZINC000037644174 170008078 /nfs/dbraw/zinc/00/80/78/170008078.db2.gz VHOUKRLIUUCHGY-STQMWFEESA-N 2 1 242.407 2.121 10 0 BEAEMP CC[NH2+]CC[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000052419187 170117173 /nfs/dbraw/zinc/11/71/73/170117173.db2.gz HAYXDKNRMSENDF-ZDUSSCGKSA-N 2 1 232.371 2.433 10 0 BEAEMP CC[NH2+]C[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000053012599 170120447 /nfs/dbraw/zinc/12/04/47/170120447.db2.gz IYBUQTNWSLPDKC-LBPRGKRZSA-N 2 1 210.365 2.251 10 0 BEAEMP CC[NH2+]C[C@@](C)(CC)C[N@H+]1CCCO[C@H](C)C1 ZINC000061934180 170120810 /nfs/dbraw/zinc/12/08/10/170120810.db2.gz WJLLUEBBPWSAGC-ZIAGYGMSSA-N 2 1 242.407 2.123 10 0 BEAEMP CC[NH2+]C[C@H]1CC[N@H+](C2CCC(C)CC2)C1 ZINC000053012856 170122716 /nfs/dbraw/zinc/12/27/16/170122716.db2.gz CFBGFSKZQSAQNH-ROKHWSDSSA-N 2 1 224.392 2.497 10 0 BEAEMP CC[NH2+]C[C@H]1CCCN(c2cccc(C)[nH+]2)C1 ZINC000053696200 170123007 /nfs/dbraw/zinc/12/30/07/170123007.db2.gz GROKVICPHLOXIP-CYBMUJFWSA-N 2 1 233.359 2.216 10 0 BEAEMP CC[NH2+]Cc1cc(C[N@@H+](CC)CC(C)C)on1 ZINC000052449666 170125257 /nfs/dbraw/zinc/12/52/57/170125257.db2.gz IIEUAAUELSWJEH-UHFFFAOYSA-N 2 1 239.363 2.262 10 0 BEAEMP CC[NH2+][C@@H]1CCC[C@@H]1C[N@@H+](CC)[C@@H](C)COC ZINC000053871456 170150226 /nfs/dbraw/zinc/15/02/26/170150226.db2.gz GZCNVJYWNPIWAY-BFHYXJOUSA-N 2 1 242.407 2.121 10 0 BEAEMP CC[NH2+][C@H](C)CCC[N@@H+](C)C[C@@H]1CCCOC1 ZINC000104199711 170157111 /nfs/dbraw/zinc/15/71/11/170157111.db2.gz YKKBNWXUCHXXFS-KGLIPLIRSA-N 2 1 242.407 2.123 10 0 BEAEMP CC[NH2+][C@H]1CCCC[C@@H]1[N@H+](CC)CCOCC ZINC000104186836 170165813 /nfs/dbraw/zinc/16/58/13/170165813.db2.gz LHNZEZRVQBDBII-KBPBESRZSA-N 2 1 242.407 2.266 10 0 BEAEMP CC[NH2+][C@H]1CCCC[C@@H]1[N@@H+](CC)CCOCC ZINC000104186836 170165815 /nfs/dbraw/zinc/16/58/15/170165815.db2.gz LHNZEZRVQBDBII-KBPBESRZSA-N 2 1 242.407 2.266 10 0 BEAEMP CC[NH2+][C@H]1CCC[C@H]1C[N@H+]1CCCSCC1 ZINC000053879675 170166761 /nfs/dbraw/zinc/16/67/61/170166761.db2.gz ODULMMFCECUKQI-STQMWFEESA-N 2 1 242.432 2.204 10 0 BEAEMP CC[NH2+][C@H]1CC[N@@H+](C2CCC(C)CC2)C1 ZINC000037242067 170166838 /nfs/dbraw/zinc/16/68/38/170166838.db2.gz CWTUYBXOPCSDHW-CPCZMJQVSA-N 2 1 210.365 2.249 10 0 BEAEMP CC[NH2+][C@H]1CC[N@H+](C2CCC(C)CC2)C1 ZINC000037242067 170166839 /nfs/dbraw/zinc/16/68/39/170166839.db2.gz CWTUYBXOPCSDHW-CPCZMJQVSA-N 2 1 210.365 2.249 10 0 BEAEMP CC[NH2+][C@H]1CCC[C@H]1n1c[nH+]c(C)c1C ZINC000051926867 170167129 /nfs/dbraw/zinc/16/71/29/170167129.db2.gz HLANFZKLEPFFIH-NWDGAFQWSA-N 2 1 207.321 2.203 10 0 BEAEMP CC[NH2+][C@H]1CCC[C@H]1C[N@H+](C)Cc1cccnc1 ZINC000053867314 170167342 /nfs/dbraw/zinc/16/73/42/170167342.db2.gz BGFJEXBXUSHEMG-GJZGRUSLSA-N 2 1 247.386 2.292 10 0 BEAEMP CC[NH2+][C@H]1CCC[C@H]1C[N@@H+](C)Cc1cccnc1 ZINC000053867314 170167344 /nfs/dbraw/zinc/16/73/44/170167344.db2.gz BGFJEXBXUSHEMG-GJZGRUSLSA-N 2 1 247.386 2.292 10 0 BEAEMP CC[C@@H]1CC[N@H+](C2CCOCC2)CC[C@H](C)[NH2+]1 ZINC000049666368 171009436 /nfs/dbraw/zinc/00/94/36/171009436.db2.gz LJEHIEMICATRTQ-QWHCGFSZSA-N 2 1 240.391 2.018 10 0 BEAEMP CC[C@@H]1CC[N@H+](Cc2ccncc2)C[C@H](C)C[NH2+]1 ZINC000049666608 171011090 /nfs/dbraw/zinc/01/10/90/171011090.db2.gz WGZXFWXRBYUZDM-UKRRQHHQSA-N 2 1 247.386 2.292 10 0 BEAEMP CC[C@@H]1CC[N@@H+](Cc2ccncc2)C[C@H](C)C[NH2+]1 ZINC000049666608 171011091 /nfs/dbraw/zinc/01/10/91/171011091.db2.gz WGZXFWXRBYUZDM-UKRRQHHQSA-N 2 1 247.386 2.292 10 0 BEAEMP CC[C@@H]1CC[N@H+](Cc2ccncc2)CCC[NH2+]1 ZINC000049666598 171011247 /nfs/dbraw/zinc/01/12/47/171011247.db2.gz ZIWKMURAUVMPOC-CQSZACIVSA-N 2 1 233.359 2.046 10 0 BEAEMP CC[C@@H]1CC[N@@H+](Cc2ccncc2)CCC[NH2+]1 ZINC000049666598 171011249 /nfs/dbraw/zinc/01/12/49/171011249.db2.gz ZIWKMURAUVMPOC-CQSZACIVSA-N 2 1 233.359 2.046 10 0 BEAEMP CC[C@@H]1CC[N@@H+](C[C@@H]2CCCO2)CC[C@H](C)[NH2+]1 ZINC000049662854 171011666 /nfs/dbraw/zinc/01/16/66/171011666.db2.gz FADRNIIZBVMKHM-MJBXVCDLSA-N 2 1 240.391 2.018 10 0 BEAEMP CC[C@@H]1CO[C@@H](C)C[N@H+]1CCC[C@@H]1CCC[NH2+]1 ZINC000052764416 171110293 /nfs/dbraw/zinc/11/02/93/171110293.db2.gz OKSRYDVXAIYHHG-MELADBBJSA-N 2 1 240.391 2.018 10 0 BEAEMP CC[C@@]1([NH3+])CCC[N@H+](Cc2ccccc2)C1 ZINC000076647119 171213186 /nfs/dbraw/zinc/21/31/86/171213186.db2.gz JUFJQSNPRJDCGT-CQSZACIVSA-N 2 1 218.344 2.390 10 0 BEAEMP CC[C@@]1([NH3+])CCC[N@@H+](Cc2ccccc2)C1 ZINC000076647119 171213188 /nfs/dbraw/zinc/21/31/88/171213188.db2.gz JUFJQSNPRJDCGT-CQSZACIVSA-N 2 1 218.344 2.390 10 0 BEAEMP CC[C@H](C)C[N@@H+](C)Cc1cccc(C(N)=[NH2+])c1 ZINC000037173357 171274431 /nfs/dbraw/zinc/27/44/31/171274431.db2.gz ZHQZJQJXTZUGTI-NSHDSACASA-N 2 1 233.359 2.449 10 0 BEAEMP CC[C@H](C)[N@H+](C)CCc1[nH]c2ccc(N)cc2[nH+]1 ZINC000035659169 171307865 /nfs/dbraw/zinc/30/78/65/171307865.db2.gz CDRJIZRJEWLWGU-JTQLQIEISA-N 2 1 246.358 2.418 10 0 BEAEMP CC[C@H](C)[N@@H+](C)CCc1[nH]c2ccc(N)cc2[nH+]1 ZINC000035659169 171307866 /nfs/dbraw/zinc/30/78/66/171307866.db2.gz CDRJIZRJEWLWGU-JTQLQIEISA-N 2 1 246.358 2.418 10 0 BEAEMP CC[C@H](C)[N@@H+](CCOC)C[C@@](C)(CC)C[NH2+]C ZINC000051256629 171315407 /nfs/dbraw/zinc/31/54/07/171315407.db2.gz FHGGVYQXLMIFAG-KBPBESRZSA-N 2 1 244.423 2.369 10 0 BEAEMP CC[C@H](C)[N@@H+](CCOC)CC[C@@H]1CCCC[NH2+]1 ZINC000042584318 171315549 /nfs/dbraw/zinc/31/55/49/171315549.db2.gz GKMPZUHALJEINT-KBPBESRZSA-N 2 1 242.407 2.266 10 0 BEAEMP CC[C@H](C)[N@@H+](CCOC)C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000070578603 171315847 /nfs/dbraw/zinc/31/58/47/171315847.db2.gz UIHMMBQHKUDWCK-MJBXVCDLSA-N 2 1 242.407 2.251 10 0 BEAEMP CCc1[nH+]ccn1[C@H](C[NH3+])c1ccc(F)cc1 ZINC000042916010 172028934 /nfs/dbraw/zinc/02/89/34/172028934.db2.gz VMQPIZMGYHIRIE-GFCCVEGCSA-N 2 1 233.290 2.133 10 0 BEAEMP CCc1[nH+]ccn1[C@@H](C[NH3+])c1ccc(C)s1 ZINC000043243731 172029203 /nfs/dbraw/zinc/02/92/03/172029203.db2.gz DOUHVXNHXWIIRL-JTQLQIEISA-N 2 1 235.356 2.364 10 0 BEAEMP CCc1[nH+]ccn1[C@H](C[NH3+])c1cccc(OC)c1 ZINC000043029007 172029338 /nfs/dbraw/zinc/02/93/38/172029338.db2.gz ZSHDDEZHCZTNSL-CYBMUJFWSA-N 2 1 245.326 2.002 10 0 BEAEMP CCc1[nH+]ccn1[C@H]([C@@H](C)[NH3+])C(C)(C)C ZINC000043295091 172029949 /nfs/dbraw/zinc/02/99/49/172029949.db2.gz SDODAGVXDPROHW-MWLCHTKSSA-N 2 1 209.337 2.380 10 0 BEAEMP C[NH2+]C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000083021426 173321320 /nfs/dbraw/zinc/32/13/20/173321320.db2.gz NPPVNTVCJHDOCR-UHFFFAOYSA-N 2 1 218.344 2.261 10 0 BEAEMP C[NH2+]C1CC[NH+]([C@H](C)c2cccs2)CC1 ZINC000037483668 173323766 /nfs/dbraw/zinc/32/37/66/173323766.db2.gz SBBFJPAASOMJNV-SNVBAGLBSA-N 2 1 224.373 2.493 10 0 BEAEMP C[NH2+]C[C@@H]1CC[C@H](C[N@@H+](C)C2CCCCC2)O1 ZINC000052419380 173371479 /nfs/dbraw/zinc/37/14/79/173371479.db2.gz BTIFZQFVUGWNNT-UONOGXRCSA-N 2 1 240.391 2.018 10 0 BEAEMP C[NH2+]C[C@H]1CC[N@H+]([C@@H](C)c2cccs2)C1 ZINC000053031176 173381572 /nfs/dbraw/zinc/38/15/72/173381572.db2.gz ITIYOJJSNSSUNU-WDEREUQCSA-N 2 1 224.373 2.350 10 0 BEAEMP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc([C@@H]3C[C@@H]3C)o2)C1 ZINC000071142217 173381869 /nfs/dbraw/zinc/38/18/69/173381869.db2.gz YXNSBHVZVDEIQK-OUCADQQQSA-N 2 1 248.370 2.444 10 0 BEAEMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc([C@@H]3C[C@@H]3C)o2)C1 ZINC000071142217 173381870 /nfs/dbraw/zinc/38/18/70/173381870.db2.gz YXNSBHVZVDEIQK-OUCADQQQSA-N 2 1 248.370 2.444 10 0 BEAEMP C[NH2+]C[C@H]1CC[N@H+]([C@@H](C)C2CCCCC2)C1 ZINC000053035303 173382311 /nfs/dbraw/zinc/38/23/11/173382311.db2.gz GQMPSKQIBLIPAI-QWHCGFSZSA-N 2 1 224.392 2.497 10 0 BEAEMP C[NH2+]Cc1cc(C[N@H+]2CCC[C@H]2C)c(C)o1 ZINC000052376109 173387126 /nfs/dbraw/zinc/38/71/26/173387126.db2.gz WIWVOQVIFVKACA-SNVBAGLBSA-N 2 1 222.332 2.292 10 0 BEAEMP C[NH2+]Cc1ccccc1C[N@H+]1CCOCC1(C)C ZINC000052546210 173390764 /nfs/dbraw/zinc/39/07/64/173390764.db2.gz CCDWSXSSQLOBGG-UHFFFAOYSA-N 2 1 248.370 2.017 10 0 BEAEMP C[NH2+][C@H]1CC[N@H+](Cc2cccs2)[C@@H](C)C1 ZINC000049712696 173465567 /nfs/dbraw/zinc/46/55/67/173465567.db2.gz DCDOPXCYVOCMPS-QWRGUYRKSA-N 2 1 224.373 2.320 10 0 BEAEMP C[NH2+][C@H]1CC[N@@H+](Cc2cccs2)[C@@H](C)C1 ZINC000049712696 173465570 /nfs/dbraw/zinc/46/55/70/173465570.db2.gz DCDOPXCYVOCMPS-QWRGUYRKSA-N 2 1 224.373 2.320 10 0 BEAEMP COCCCCC[N@@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000124048485 174176287 /nfs/dbraw/zinc/17/62/87/174176287.db2.gz XQSOTEZEVIWDHR-UONOGXRCSA-N 2 1 242.407 2.218 10 0 BEAEMP COCCCCC[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000124048485 174176291 /nfs/dbraw/zinc/17/62/91/174176291.db2.gz XQSOTEZEVIWDHR-UONOGXRCSA-N 2 1 242.407 2.218 10 0 BEAEMP COCCCCC[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000124048485 174176294 /nfs/dbraw/zinc/17/62/94/174176294.db2.gz XQSOTEZEVIWDHR-UONOGXRCSA-N 2 1 242.407 2.218 10 0 BEAEMP COCCCCC[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000124048485 174176296 /nfs/dbraw/zinc/17/62/96/174176296.db2.gz XQSOTEZEVIWDHR-UONOGXRCSA-N 2 1 242.407 2.218 10 0 BEAEMP COCCCCC[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000124048485 174176299 /nfs/dbraw/zinc/17/62/99/174176299.db2.gz XQSOTEZEVIWDHR-UONOGXRCSA-N 2 1 242.407 2.218 10 0 BEAEMP COCC[N@H+]([C@H](C[NH3+])C1CCCCC1)C1CC1 ZINC000042517857 174284784 /nfs/dbraw/zinc/28/47/84/174284784.db2.gz OLRBCNZBYUBKLR-CQSZACIVSA-N 2 1 240.391 2.005 10 0 BEAEMP COCC[N@@H+]([C@H](C[NH3+])C1CCCCC1)C1CC1 ZINC000042517857 174284786 /nfs/dbraw/zinc/28/47/86/174284786.db2.gz OLRBCNZBYUBKLR-CQSZACIVSA-N 2 1 240.391 2.005 10 0 BEAEMP COCC[N@H+](C1CC1)[C@]1(C[NH3+])CCCC[C@@H]1C ZINC000042517898 174285184 /nfs/dbraw/zinc/28/51/84/174285184.db2.gz FEMBKSWMOJKWQO-JSGCOSHPSA-N 2 1 240.391 2.005 10 0 BEAEMP COCC[N@@H+](C1CC1)[C@]1(C[NH3+])CCCC[C@@H]1C ZINC000042517898 174285186 /nfs/dbraw/zinc/28/51/86/174285186.db2.gz FEMBKSWMOJKWQO-JSGCOSHPSA-N 2 1 240.391 2.005 10 0 BEAEMP COCC[N@H+](CC(C)C)[C@@H](C)C[NH2+]CC(C)C ZINC000052508411 174287331 /nfs/dbraw/zinc/28/73/31/174287331.db2.gz ARTLFXKDMOLXOC-AWEZNQCLSA-N 2 1 244.423 2.225 10 0 BEAEMP COCC[N@@H+](CC(C)C)[C@@H](C)C[NH2+]CC(C)C ZINC000052508411 174287333 /nfs/dbraw/zinc/28/73/33/174287333.db2.gz ARTLFXKDMOLXOC-AWEZNQCLSA-N 2 1 244.423 2.225 10 0 BEAEMP COCC[N@@H+](CC1([NH3+])CCCC1)[C@@H](C)C1CC1 ZINC000042689300 174288123 /nfs/dbraw/zinc/28/81/23/174288123.db2.gz VRVQTBAYMABEAX-LBPRGKRZSA-N 2 1 240.391 2.005 10 0 BEAEMP COCC[NH2+]CCCC[N@H+]1CC[C@@H](C)C[C@H]1C ZINC000053499332 174332026 /nfs/dbraw/zinc/33/20/26/174332026.db2.gz MPJDINXBSHXMEQ-ZIAGYGMSSA-N 2 1 242.407 2.123 10 0 BEAEMP COc1ccc(C)cc1[C@H](C)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050245068 175080923 /nfs/dbraw/zinc/08/09/23/175080923.db2.gz OMSCNOSGYODWGM-QWHCGFSZSA-N 2 1 248.370 2.345 10 0 BEAEMP COc1cccc(C[N@H+](CC[NH3+])C2CCCC2)c1 ZINC000032103938 175257362 /nfs/dbraw/zinc/25/73/62/175257362.db2.gz XHAIGTYRPJRNII-UHFFFAOYSA-N 2 1 248.370 2.399 10 0 BEAEMP COc1cccc(C[N@@H+](CC[NH3+])C2CCCC2)c1 ZINC000032103938 175257364 /nfs/dbraw/zinc/25/73/64/175257364.db2.gz XHAIGTYRPJRNII-UHFFFAOYSA-N 2 1 248.370 2.399 10 0 BEAEMP COc1cccc([C@@H](C)[N@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000050245107 175286609 /nfs/dbraw/zinc/28/66/09/175286609.db2.gz VCXTXKXNJZLDCD-VXGBXAGGSA-N 2 1 234.343 2.037 10 0 BEAEMP COc1cccc([C@@H]2[C@@H](C[NH3+])CCC[N@H+]2C)c1 ZINC000082341591 175291978 /nfs/dbraw/zinc/29/19/78/175291978.db2.gz JWFCYSSIWBBYJA-TZMCWYRMSA-N 2 1 234.343 2.037 10 0 BEAEMP COc1cccc([C@H](C)[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)c1 ZINC000131455715 175292643 /nfs/dbraw/zinc/29/26/43/175292643.db2.gz MHULZIDFKNLKME-FRRDWIJNSA-N 2 1 248.370 2.425 10 0 BEAEMP COc1ccccc1C[N@@H+]1CCC[NH2+][C@@H](C)CC1 ZINC000049663962 175328302 /nfs/dbraw/zinc/32/83/02/175328302.db2.gz UTSSQORQLBWOLH-ZDUSSCGKSA-N 2 1 248.370 2.269 10 0 BEAEMP COc1ccccc1C[N@H+]1CCC[NH2+][C@@H](C)CC1 ZINC000049663962 175328304 /nfs/dbraw/zinc/32/83/04/175328304.db2.gz UTSSQORQLBWOLH-ZDUSSCGKSA-N 2 1 248.370 2.269 10 0 BEAEMP C[C@@H](c1ccc[nH]1)[N@@H+](C)CC1CC[NH2+]CC1 ZINC000095068240 176016631 /nfs/dbraw/zinc/01/66/31/176016631.db2.gz GXOLAQTTYSWKQZ-NSHDSACASA-N 2 1 221.348 2.007 10 0 BEAEMP C[C@@H](c1ccncc1)[N@H+]1CCC[NH2+]C[C@@H](C)C1 ZINC000049666708 176035888 /nfs/dbraw/zinc/03/58/88/176035888.db2.gz ONQYRGBFQDRVAZ-OLZOCXBDSA-N 2 1 233.359 2.074 10 0 BEAEMP C[C@@H]1CCCC[C@@H]1[N@@H+](C)Cc1cc(C[NH3+])no1 ZINC000052546781 176079043 /nfs/dbraw/zinc/07/90/43/176079043.db2.gz PAPRFCMAHHTBNA-MFKMUULPSA-N 2 1 237.347 2.144 10 0 BEAEMP C[C@@H]1CCCC[C@]1(CN)[N@H+](C)Cc1ccncc1 ZINC000036775728 176090429 /nfs/dbraw/zinc/09/04/29/176090429.db2.gz ZZDBJKTZMIKCAJ-UKRRQHHQSA-N 2 1 247.386 2.421 10 0 BEAEMP C[C@@H]1CCCC[C@]1(CN)[N@@H+](C)Cc1ccncc1 ZINC000036775728 176090430 /nfs/dbraw/zinc/09/04/30/176090430.db2.gz ZZDBJKTZMIKCAJ-UKRRQHHQSA-N 2 1 247.386 2.421 10 0 BEAEMP C[C@@H]1CCCC[C@]1(C[NH3+])[N@H+](C)Cc1ccncc1 ZINC000036775728 176090431 /nfs/dbraw/zinc/09/04/31/176090431.db2.gz ZZDBJKTZMIKCAJ-UKRRQHHQSA-N 2 1 247.386 2.421 10 0 BEAEMP C[C@@H]1CCCC[C@]1(C[NH3+])[N@@H+](C)Cc1ccncc1 ZINC000036775728 176090432 /nfs/dbraw/zinc/09/04/32/176090432.db2.gz ZZDBJKTZMIKCAJ-UKRRQHHQSA-N 2 1 247.386 2.421 10 0 BEAEMP C[C@@H]1CC[N@@H+](Cc2ccc(C[NH3+])cc2F)C1 ZINC000040717022 176174782 /nfs/dbraw/zinc/17/47/82/176174782.db2.gz PSAWXGCSWZGCAU-SNVBAGLBSA-N 2 1 222.307 2.126 10 0 BEAEMP C[C@@H]1C[N@@H+](CCc2cccc(F)c2)CC[C@@H]1[NH3+] ZINC000049711342 176294264 /nfs/dbraw/zinc/29/42/64/176294264.db2.gz XJIIIDAGCBVIMP-RISCZKNCSA-N 2 1 236.334 2.037 10 0 BEAEMP C[C@@H]1CN(c2cc[nH+]cc2Cl)C[C@@]1(C)C[NH3+] ZINC000309223839 176319776 /nfs/dbraw/zinc/31/97/76/176319776.db2.gz ZLOHPMIWPJKTBR-BXKDBHETSA-N 2 1 239.750 2.156 10 0 BEAEMP C[C@@H]1C[NH2+]CCC[N@@H+](CC2CCCCC2)C1 ZINC000049666078 176324786 /nfs/dbraw/zinc/32/47/86/176324786.db2.gz JNVXPXAIOFEGHG-CYBMUJFWSA-N 2 1 224.392 2.498 10 0 BEAEMP C[C@@H]1C[NH2+]CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000049665266 176324850 /nfs/dbraw/zinc/32/48/50/176324850.db2.gz IIVRWRNDPQRXJJ-GFCCVEGCSA-N 2 1 236.334 2.257 10 0 BEAEMP C[C@@H]1C[NH2+]CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000049665266 176324852 /nfs/dbraw/zinc/32/48/52/176324852.db2.gz IIVRWRNDPQRXJJ-GFCCVEGCSA-N 2 1 236.334 2.257 10 0 BEAEMP C[C@@H]1C[NH2+]C[C@@H]1C[N@H+](C)Cc1cccc(F)c1 ZINC000104213263 176329545 /nfs/dbraw/zinc/32/95/45/176329545.db2.gz LYEOSURBGWKXKR-DGCLKSJQSA-N 2 1 236.334 2.113 10 0 BEAEMP C[C@@H]1C[NH2+]C[C@@H]1C[N@@H+](C)Cc1cccc(F)c1 ZINC000104213263 176329547 /nfs/dbraw/zinc/32/95/47/176329547.db2.gz LYEOSURBGWKXKR-DGCLKSJQSA-N 2 1 236.334 2.113 10 0 BEAEMP C[C@H](c1ccsc1)[NH+]1CCC([NH3+])CC1 ZINC000050345147 177051050 /nfs/dbraw/zinc/05/10/50/177051050.db2.gz MZFDMNZYYRCSSQ-SECBINFHSA-N 2 1 210.346 2.232 10 0 BEAEMP C[C@H]1CCC[N@@H+](CC2(C[NH3+])CCCC2)C1 ZINC000049814819 177095851 /nfs/dbraw/zinc/09/58/51/177095851.db2.gz LOEKWAYYIMJADW-LBPRGKRZSA-N 2 1 210.365 2.237 10 0 BEAEMP C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1ccoc1C[NH3+] ZINC000052373331 177101138 /nfs/dbraw/zinc/10/11/38/177101138.db2.gz YFYSRECPIKLZJG-WDEREUQCSA-N 2 1 222.332 2.359 10 0 BEAEMP C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1ccoc1C[NH3+] ZINC000052373331 177101141 /nfs/dbraw/zinc/10/11/41/177101141.db2.gz YFYSRECPIKLZJG-WDEREUQCSA-N 2 1 222.332 2.359 10 0 BEAEMP C[C@H]1CCC[N@H+]1Cc1ccccc1C[NH3+] ZINC000037910046 177111100 /nfs/dbraw/zinc/11/11/00/177111100.db2.gz FQBIDFQQCKDJRA-NSHDSACASA-N 2 1 204.317 2.130 10 0 BEAEMP C[C@@H]1C[C@@H](C)CC[N@H+]1CCC1CC[NH2+]CC1 ZINC000051732500 177158490 /nfs/dbraw/zinc/15/84/90/177158490.db2.gz LFIJCLZCMNVQIZ-QWHCGFSZSA-N 2 1 224.392 2.497 10 0 BEAEMP C[C@H]1CC[N@@H+](Cc2ccc(C[NH3+])cc2F)C1 ZINC000040717023 177164004 /nfs/dbraw/zinc/16/40/04/177164004.db2.gz PSAWXGCSWZGCAU-JTQLQIEISA-N 2 1 222.307 2.126 10 0 BEAEMP C[C@H]1CC[NH+](Cc2cccnc2)CC[C@H](C)[NH2+]1 ZINC000049666581 177164953 /nfs/dbraw/zinc/16/49/53/177164953.db2.gz GGPYYMYQGKLHLD-STQMWFEESA-N 2 1 233.359 2.044 10 0 BEAEMP C[C@H]1CC[C@@H]([NH3+])[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000068593077 177191115 /nfs/dbraw/zinc/19/11/15/177191115.db2.gz ULXWOSFIBHNQLH-SGMGOOAPSA-N 2 1 218.344 2.387 10 0 BEAEMP C[C@H]1CC[C@@H]([NH3+])[C@H](C)[N@H+]1Cc1ccccc1 ZINC000068593077 177191116 /nfs/dbraw/zinc/19/11/16/177191116.db2.gz ULXWOSFIBHNQLH-SGMGOOAPSA-N 2 1 218.344 2.387 10 0 BEAEMP C[C@H]1CC[C@@H]([NH3+])[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000096984999 177192400 /nfs/dbraw/zinc/19/24/00/177192400.db2.gz CDZQJQWXULZXMK-QCEMKRCNSA-N 2 1 244.382 2.492 10 0 BEAEMP C[C@H]1C[N@H+](C2CCCCCC2)CC[C@@H]1[NH3+] ZINC000049710503 177242806 /nfs/dbraw/zinc/24/28/06/177242806.db2.gz ITVZDERBBYHQQN-AAEUAGOBSA-N 2 1 210.365 2.378 10 0 BEAEMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]([NH3+])[C@@H]1C ZINC000068592933 177266254 /nfs/dbraw/zinc/26/62/54/177266254.db2.gz NMWRIHNNQCIKCJ-SCRDCRAPSA-N 2 1 218.344 2.102 10 0 BEAEMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]([NH3+])[C@@H]1C ZINC000068592933 177266256 /nfs/dbraw/zinc/26/62/56/177266256.db2.gz NMWRIHNNQCIKCJ-SCRDCRAPSA-N 2 1 218.344 2.102 10 0 BEAEMP C[C@H]1C[NH2+]C[C@@]12CC[N@@H+](Cc1ccccc1)C2 ZINC000082346550 177285859 /nfs/dbraw/zinc/28/58/59/177285859.db2.gz FIHYLOPZALKCDP-DZGCQCFKSA-N 2 1 230.355 2.118 10 0 BEAEMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH3+])o2)C1 ZINC000052420640 177314741 /nfs/dbraw/zinc/31/47/41/177314741.db2.gz JSSMRNACWYUQKE-PHIMTYICSA-N 2 1 222.332 2.216 10 0 BEAEMP C[C@H]1C[C@@H](CC[NH3+])C[N@H+]1Cc1ccccc1 ZINC000083254969 177323836 /nfs/dbraw/zinc/32/38/36/177323836.db2.gz MNHIPMWKEKKGBU-GXTWGEPZSA-N 2 1 218.344 2.246 10 0 BEAEMP CCc1cc(N[C@H](C[NH3+])CC(C)C)nc(C)[nH+]1 ZINC000088760645 487750002 /nfs/dbraw/zinc/75/00/02/487750002.db2.gz DBVXPRFEQKAFLV-LBPRGKRZSA-N 2 1 236.363 2.133 10 0 BEAEMP C[N@@H+](C[C@H]1CCCCC1(F)F)C1CC([NH3+])C1 ZINC000384997057 487759463 /nfs/dbraw/zinc/75/94/63/487759463.db2.gz LLRZGPFYRMDRKZ-KPPDAEKUSA-N 2 1 232.318 2.233 10 0 BEAEMP Cc1ccoc1C[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000562957086 323035069 /nfs/dbraw/zinc/03/50/69/323035069.db2.gz UAYVBEQDKOTYBZ-VXGBXAGGSA-N 2 1 222.332 2.066 10 0 BEAEMP Cc1cccc(N[C@H]2CCC[C@@H]([NH3+])C2)[nH+]1 ZINC000257656764 488076506 /nfs/dbraw/zinc/07/65/06/488076506.db2.gz QVWKNRQHPJPTFD-MNOVXSKESA-N 2 1 205.305 2.072 10 0 BEAEMP CC[NH+](CC)[C@@H](C)C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000382048199 487530279 /nfs/dbraw/zinc/53/02/79/487530279.db2.gz BDNJXNJFCWFHCZ-IGQOVBAYSA-N 2 1 224.392 2.495 10 0 BEAEMP CC(C)[C@H](C)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000252417608 487824235 /nfs/dbraw/zinc/82/42/35/487824235.db2.gz RVKBRXDCICPMFX-BFHYXJOUSA-N 2 1 224.392 2.495 10 0 BEAEMP C[C@@H](CC[NH3+])Nc1[nH+]ccc2ccccc21 ZINC000134269242 487977039 /nfs/dbraw/zinc/97/70/39/487977039.db2.gz ZCEYSAAZDGBBRE-JTQLQIEISA-N 2 1 215.300 2.384 10 0 BEAEMP C[C@H](CC1CCC1)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000390089970 488137167 /nfs/dbraw/zinc/13/71/67/488137167.db2.gz INKRURKMYQNGSK-YRGRVCCFSA-N 2 1 224.392 2.482 10 0 BEAEMP CC[C@H]([NH2+]CCc1c[nH+]cn1C)C(C)(C)C ZINC000336728985 490288043 /nfs/dbraw/zinc/28/80/43/490288043.db2.gz HJOWFEQXJHUJIJ-LBPRGKRZSA-N 2 1 223.364 2.377 10 0 BEAEMP CC(C)C[N@H+]1CC[C@@H]([NH2+]C(C)C)[C@H](C)C1 ZINC000252475254 519731174 /nfs/dbraw/zinc/73/11/74/519731174.db2.gz WXYUATKECWZXJE-CHWSQXEVSA-N 2 1 212.381 2.351 10 0 BEAEMP CCC[N@H+]1CC[C@@H]([NH2+]CC(C)C)C[C@H]1C ZINC000252475292 519861948 /nfs/dbraw/zinc/86/19/48/519861948.db2.gz XQLAIQKDMNUQBO-CHWSQXEVSA-N 2 1 212.381 2.495 10 0 BEAEMP CCCC[N@H+]1CC[C@H]([NH2+]CCC)[C@@H](C)C1 ZINC000219749852 520595944 /nfs/dbraw/zinc/59/59/44/520595944.db2.gz ULJGBSOQGOMUMG-STQMWFEESA-N 2 1 212.381 2.497 10 0 BEAEMP CC[N@@H+]1CC[C@@H]([NH+]2CCCCC2)C[C@H]1C ZINC000252474523 521714648 /nfs/dbraw/zinc/71/46/48/521714648.db2.gz HACCXFVGOBDVMD-CHWSQXEVSA-N 2 1 210.365 2.345 10 0 BEAEMP CC[N@H+]1CC[C@@H]([NH+]2CCCCC2)C[C@H]1C ZINC000252474523 521714649 /nfs/dbraw/zinc/71/46/49/521714649.db2.gz HACCXFVGOBDVMD-CHWSQXEVSA-N 2 1 210.365 2.345 10 0 BEAEMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH+](C)C ZINC000242543454 524632142 /nfs/dbraw/zinc/63/21/42/524632142.db2.gz KAKCSWWQYPXOFQ-DZGCQCFKSA-N 2 1 232.371 2.459 10 0 BEAEMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH+](C)C ZINC000242543454 524632153 /nfs/dbraw/zinc/63/21/53/524632153.db2.gz KAKCSWWQYPXOFQ-DZGCQCFKSA-N 2 1 232.371 2.459 10 0 BEAEMP CC(C)C[N@H+]1CC[C@@H]([NH2+]C(C)C)[C@@H](C)C1 ZINC000226859086 535134040 /nfs/dbraw/zinc/13/40/40/535134040.db2.gz WXYUATKECWZXJE-QWHCGFSZSA-N 2 1 212.381 2.351 10 0 BEAEMP C[N@@H+](C[C@H]1CCCC(F)(F)C1)C1CC[NH2+]CC1 ZINC000261538148 536443759 /nfs/dbraw/zinc/44/37/59/536443759.db2.gz JKMZSRJPSBRKST-NSHDSACASA-N 2 1 246.345 2.496 10 0 BEAEMP C[C@]1([NH3+])C[NH2+]C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000725262766 538089491 /nfs/dbraw/zinc/08/94/91/538089491.db2.gz MGJHRSRVZQLENI-MNOVXSKESA-N 2 1 244.260 2.110 10 0 BEAEMP C[C@H](C1CC1)[N@H+]1CCC[C@@]12CCC[NH2+][C@H]2C ZINC000757132973 582508931 /nfs/dbraw/zinc/50/89/31/582508931.db2.gz SHXNQGQFOJWUPZ-MBNYWOFBSA-N 2 1 222.376 2.391 10 0 BEAEMP CC[C@H](C)[N@H+]1CCC[C@]12CCC[NH2+][C@@H]2C ZINC000757133860 582510699 /nfs/dbraw/zinc/51/06/99/582510699.db2.gz VJGNNYWCYIUNKB-XQQFMLRXSA-N 2 1 210.365 2.391 10 0 BEAEMP CC(C)[C@H](C)[N@H+]1CCC[C@@]12C[NH2+]C[C@@H](C)C2 ZINC000757135001 582514062 /nfs/dbraw/zinc/51/40/62/582514062.db2.gz XTUUDHBNECBTHM-MELADBBJSA-N 2 1 224.392 2.495 10 0 BEAEMP C[C@H]1CC(C)(C)OC2(CC[NH+](C3CC3)CC2)[NH2+]1 ZINC000757153820 582539137 /nfs/dbraw/zinc/53/91/37/582539137.db2.gz XUFKDKRSQAQGMW-NSHDSACASA-N 2 1 238.375 2.118 10 0 BEAEMP C[C@H](C1CC1)[N@H+]1CCC[C@]12CC[C@@H](C)[NH2+]C2 ZINC000757126381 586425917 /nfs/dbraw/zinc/42/59/17/586425917.db2.gz FLJVLYOOVHKRJL-YRGRVCCFSA-N 2 1 222.376 2.391 10 0 BEAEMP C[C@H]1C[C@H]1[N@H+]1CCC[C@]12CC[C@@H](C)[NH2+]C2 ZINC000757131107 586426392 /nfs/dbraw/zinc/42/63/92/586426392.db2.gz PETFBWQQYSALJD-UMSGYPCISA-N 2 1 208.349 2.001 10 0 BEAEMP C[C@@H]1C[C@H]([NH3+])C[NH2+][C@H]1c1cccc2cc[nH]c21 ZINC000757218281 586441657 /nfs/dbraw/zinc/44/16/57/586441657.db2.gz UVPNDTQWTUYJTK-SUZMYJTESA-N 2 1 229.327 2.166 10 0 BEAEMP C[C@@H]1[NH2+][C@@H](c2cccc3cc[nH]c32)CC[C@@H]1[NH3+] ZINC000757218274 586441848 /nfs/dbraw/zinc/44/18/48/586441848.db2.gz UUIAZCQENYZUNX-TVYUQYBPSA-N 2 1 229.327 2.308 10 0 BEAEMP [NH3+][C@H]1CC[NH2+][C@H](c2cscc2C(F)F)C1 ZINC000757232411 586443043 /nfs/dbraw/zinc/44/30/43/586443043.db2.gz IEDPIXRQHXVBFC-RCOVLWMOSA-N 2 1 232.299 2.438 10 0 BEAEMP CC[N@H+]1CCC[C@H](c2cccc(C[NH3+])c2)C1 ZINC000757572451 586463020 /nfs/dbraw/zinc/46/30/20/586463020.db2.gz RGARGUJFBULSRY-AWEZNQCLSA-N 2 1 218.344 2.345 10 0 BEAEMP C[C@@H](Cc1ccccc1Cl)[NH2+][C@@H]1CC[NH2+]C1 ZINC000086726778 631471247 /nfs/dbraw/zinc/47/12/47/631471247.db2.gz SZDLGWSWJSWCRM-CMPLNLGQSA-N 2 1 238.762 2.223 10 0 BEAEMP CSC1(C[NH2+][C@@H]2CC[NH2+]C2)CCCCC1 ZINC000235096404 631953784 /nfs/dbraw/zinc/95/37/84/631953784.db2.gz JBDRABKHHVLREN-LLVKDONJSA-N 2 1 228.405 2.004 10 0 BEAEMP [NH3+][C@@H]1CC[C@H](CNc2[nH]c3ccccc3[nH+]2)C1 ZINC000310299695 632717127 /nfs/dbraw/zinc/71/71/27/632717127.db2.gz UBLPYMVHCXIRCQ-VHSXEESVSA-N 2 1 230.315 2.102 10 0 BEAEMP CC1CCC(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC000310500284 636191966 /nfs/dbraw/zinc/19/19/66/636191966.db2.gz JCHPTPYEYCUVEO-PFSRBDOWSA-N 2 1 236.403 2.354 10 0 BEAEMP CC(C)c1[nH+]ccn1CCC[NH2+]C1CC1 ZINC000042410217 637231173 /nfs/dbraw/zinc/23/11/73/637231173.db2.gz VPVVVYYFFOWUPO-UHFFFAOYSA-N 2 1 207.321 2.149 10 0 BEAEMP [NH3+]CCCCCC[N@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000043428104 638321697 /nfs/dbraw/zinc/32/16/97/638321697.db2.gz YGCAONZUDUNKKN-UONOGXRCSA-N 2 1 240.391 2.149 10 0 BEAEMP [NH3+]CCCCCC[N@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000043428103 638321829 /nfs/dbraw/zinc/32/18/29/638321829.db2.gz YGCAONZUDUNKKN-KGLIPLIRSA-N 2 1 240.391 2.149 10 0 BEAEMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccoc2)C1 ZINC000062103835 641021304 /nfs/dbraw/zinc/02/13/04/641021304.db2.gz SKJXXDUXEGJDML-GFCCVEGCSA-N 2 1 222.332 2.100 10 0 BEAEMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccoc2)C1 ZINC000062103835 641021307 /nfs/dbraw/zinc/02/13/07/641021307.db2.gz SKJXXDUXEGJDML-GFCCVEGCSA-N 2 1 222.332 2.100 10 0 BEAEMP C[C@@H](C[NH2+]Cc1ccoc1)C[NH+]1CCCC1 ZINC000062103677 641021738 /nfs/dbraw/zinc/02/17/38/641021738.db2.gz WQOAVWZXCQLALC-LBPRGKRZSA-N 2 1 222.332 2.101 10 0 BEAEMP C/C(=C/c1ccccc1)C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000096859309 644843529 /nfs/dbraw/zinc/84/35/29/644843529.db2.gz VCZQLEOXZXJBCG-UZGISAJGSA-N 2 1 230.355 2.371 10 0 BEAEMP Cc1cnc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)c(C)c1 ZINC000724084988 710736974 /nfs/dbraw/zinc/73/69/74/710736974.db2.gz GSWBKRIFIQWGCF-KGLIPLIRSA-N 2 1 247.386 2.176 10 0 BEAEMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(c1cc[nH+]cc1Cl)C2 ZINC000709797524 712227240 /nfs/dbraw/zinc/22/72/40/712227240.db2.gz CCODXISYWPCKLA-AEJSXWLSSA-N 2 1 237.734 2.051 10 0 BEAEMP CC(C)[C@H](C)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000709867368 712230064 /nfs/dbraw/zinc/23/00/64/712230064.db2.gz JCTKZZCBSQGKTR-QWHCGFSZSA-N 2 1 210.365 2.106 10 0 BEAEMP Cc1cc(N(C)C2(C[NH3+])CCCCC2)nc(C)[nH+]1 ZINC000713300823 712458694 /nfs/dbraw/zinc/45/86/94/712458694.db2.gz SKXPOAVUALYWFN-UHFFFAOYSA-N 2 1 248.374 2.191 10 0 BEAEMP CCC1([NH3+])CCN(c2cc(C)cc[nH+]2)CC1 ZINC000714752486 712497378 /nfs/dbraw/zinc/49/73/78/712497378.db2.gz URYFETLCDOARFV-UHFFFAOYSA-N 2 1 219.332 2.098 10 0 BEAEMP CCC1([NH3+])CC[NH+]([C@H](C)c2ccccn2)CC1 ZINC000714759056 712497603 /nfs/dbraw/zinc/49/76/03/712497603.db2.gz QIJNIWJDXONFCT-GFCCVEGCSA-N 2 1 233.359 2.346 10 0 BEAEMP CCC1([NH3+])CC[NH+]([C@@H](C)c2ccccn2)CC1 ZINC000714759061 712497651 /nfs/dbraw/zinc/49/76/51/712497651.db2.gz QIJNIWJDXONFCT-LBPRGKRZSA-N 2 1 233.359 2.346 10 0 BEAEMP CCC1([NH3+])CC[NH+]([C@@H](C)c2nccnc2C)CC1 ZINC000714760037 712498319 /nfs/dbraw/zinc/49/83/19/712498319.db2.gz ZRAWVGYIFMMFAU-LBPRGKRZSA-N 2 1 248.374 2.049 10 0 BEAEMP c1ccc(CC[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000036996535 712528910 /nfs/dbraw/zinc/52/89/10/712528910.db2.gz QBSGTAUPVKFANE-JKSUJKDBSA-N 2 1 244.382 2.446 10 0 BEAEMP CC[N@H+]1CC[C@@H]([NH3+])C12CCC(C)(C)CC2 ZINC000685955100 538900235 /nfs/dbraw/zinc/90/02/35/538900235.db2.gz SXJKNXOBSAGZPL-LLVKDONJSA-N 2 1 210.365 2.378 10 0 BEAEMP CCC[N@H+]1CC[C@@H]([NH3+])C12CCC(C)CC2 ZINC000685955134 538900620 /nfs/dbraw/zinc/90/06/20/538900620.db2.gz UGTHRFWKICWCAP-OTTFEQOBSA-N 2 1 210.365 2.378 10 0 BEAEMP CC(C)[N@H+]1CC[C@H]([NH3+])[C@]12CCCC[C@@H]2C ZINC000685952780 538896886 /nfs/dbraw/zinc/89/68/86/538896886.db2.gz CUAIQZBKRPFHCF-RWMBFGLXSA-N 2 1 210.365 2.377 10 0 BEAEMP CC(C)c1cccc([C@H]2C[NH2+]C[C@@]2(C)[NH3+])c1 ZINC000685965366 538911947 /nfs/dbraw/zinc/91/19/47/538911947.db2.gz BDRAOLJIMOXIGA-ZIAGYGMSSA-N 2 1 218.344 2.214 10 0 BEAEMP CCC(CC)(C[NH3+])C[N@H+]1CCC[C@H](C)C1 ZINC000051210123 168322903 /nfs/dbraw/zinc/32/29/03/168322903.db2.gz VJZSRFRWQDFTEC-LBPRGKRZSA-N 2 1 212.381 2.483 10 0 BEAEMP Cc1cc(F)ccc1[C@H](CN)[N@H+](C)CC1CC1 ZINC000050578703 178092050 /nfs/dbraw/zinc/09/20/50/178092050.db2.gz ROJFYKNEBNVGIS-AWEZNQCLSA-N 2 1 236.334 2.476 10 0 BEAEMP Cc1cc(F)ccc1[C@H](CN)[N@@H+](C)CC1CC1 ZINC000050578703 178092051 /nfs/dbraw/zinc/09/20/51/178092051.db2.gz ROJFYKNEBNVGIS-AWEZNQCLSA-N 2 1 236.334 2.476 10 0 BEAEMP Cc1cc(NCc2ccc(C[NH3+])cc2)nc(C)[nH+]1 ZINC000037756790 178172075 /nfs/dbraw/zinc/17/20/75/178172075.db2.gz OBCKYFTYPHRZTM-UHFFFAOYSA-N 2 1 242.326 2.164 10 0 BEAEMP Cc1cc(N[C@]2(C[NH3+])CCC[C@H](C)C2)nc(C)[nH+]1 ZINC000104303447 178191631 /nfs/dbraw/zinc/19/16/31/178191631.db2.gz WGDAOKKFEVXHHK-IINYFYTJSA-N 2 1 248.374 2.413 10 0 BEAEMP Cc1cc([C@H](C)[N@H+]2CC[C@H](C[NH3+])C2)c(C)o1 ZINC000044730732 178243990 /nfs/dbraw/zinc/24/39/90/178243990.db2.gz MGJMRJWLWOEYEF-CMPLNLGQSA-N 2 1 222.332 2.238 10 0 BEAEMP CCC(CC)[N@H+](CCOC)C[C@H]1CCCC[NH2+]1 ZINC000042681740 168374399 /nfs/dbraw/zinc/37/43/99/168374399.db2.gz DWPSREOWJNOSME-CYBMUJFWSA-N 2 1 242.407 2.266 10 0 BEAEMP CCC(CC)[N@@H+](CCOC)C[C@H]1CCCC[NH2+]1 ZINC000042681740 168374402 /nfs/dbraw/zinc/37/44/02/168374402.db2.gz DWPSREOWJNOSME-CYBMUJFWSA-N 2 1 242.407 2.266 10 0 BEAEMP CCC(CC)[N@@H+](CCOC)C[C@@H](N)C(C)(C)C ZINC000042616077 168373951 /nfs/dbraw/zinc/37/39/51/168373951.db2.gz HCHZCUZTRIBRTR-CYBMUJFWSA-N 2 1 244.423 2.497 10 0 BEAEMP CCC(CC)[N@H+](CCOC)C[C@@H]([NH3+])C(C)(C)C ZINC000042616077 168373955 /nfs/dbraw/zinc/37/39/55/168373955.db2.gz HCHZCUZTRIBRTR-CYBMUJFWSA-N 2 1 244.423 2.497 10 0 BEAEMP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@@H]1CCCCC1(F)F ZINC000381666545 398269300 /nfs/dbraw/zinc/26/93/00/398269300.db2.gz KNVFGDRCQYPAKX-RYUDHWBXSA-N 2 1 246.345 2.496 10 0 BEAEMP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@@H]1CCCCC1(F)F ZINC000381666545 398269303 /nfs/dbraw/zinc/26/93/03/398269303.db2.gz KNVFGDRCQYPAKX-RYUDHWBXSA-N 2 1 246.345 2.496 10 0 BEAEMP C[NH2+]C[C@H]1CCC[N@@H+]1C[C@H]1CCCCC1(F)F ZINC000381666547 398268955 /nfs/dbraw/zinc/26/89/55/398268955.db2.gz KNVFGDRCQYPAKX-VXGBXAGGSA-N 2 1 246.345 2.496 10 0 BEAEMP C[NH2+]C[C@H]1CCC[N@H+]1C[C@H]1CCCCC1(F)F ZINC000381666547 398268957 /nfs/dbraw/zinc/26/89/57/398268957.db2.gz KNVFGDRCQYPAKX-VXGBXAGGSA-N 2 1 246.345 2.496 10 0 BEAEMP [NH3+][C@@]12C[N@H+](Cc3ccccc3)C[C@@H]1CCCC2 ZINC000138218804 342800970 /nfs/dbraw/zinc/80/09/70/342800970.db2.gz YSRKXDRZBDXBAH-GJZGRUSLSA-N 2 1 230.355 2.390 10 0 BEAEMP [NH3+][C@@]12C[N@@H+](Cc3ccccc3)C[C@@H]1CCCC2 ZINC000138218804 342800972 /nfs/dbraw/zinc/80/09/72/342800972.db2.gz YSRKXDRZBDXBAH-GJZGRUSLSA-N 2 1 230.355 2.390 10 0 BEAEMP C[C@@H]1CCC[N@H+]([C@@H]2CCC[C@H](C[NH3+])C2)C1 ZINC000108323303 539027522 /nfs/dbraw/zinc/02/75/22/539027522.db2.gz VRAPUDSSFCIUIU-FRRDWIJNSA-N 2 1 210.365 2.236 10 0 BEAEMP CC[C@H](C)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037916564 398335268 /nfs/dbraw/zinc/33/52/68/398335268.db2.gz SUSIWNCPSNUWKN-IHRRRGAJSA-N 2 1 224.392 2.497 10 0 BEAEMP CCC[C@@H](C)[NH2+]C[C@@H](C)[NH+](CC)CC ZINC000053485992 346901717 /nfs/dbraw/zinc/90/17/17/346901717.db2.gz VKPIRMDZMKWPTK-VXGBXAGGSA-N 2 1 200.370 2.495 10 0 BEAEMP CCC[C@H](C)[NH2+]C[C@H](C)[NH+](CC)CC ZINC000053486001 346901747 /nfs/dbraw/zinc/90/17/47/346901747.db2.gz VKPIRMDZMKWPTK-RYUDHWBXSA-N 2 1 200.370 2.495 10 0 BEAEMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH3+])cc1F ZINC000019872903 342960255 /nfs/dbraw/zinc/96/02/55/342960255.db2.gz OLYHKXCNZFOCTL-MRVPVSSYSA-N 2 1 219.263 2.340 10 0 BEAEMP CCCCC[NH2+][C@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000036907536 343327495 /nfs/dbraw/zinc/32/74/95/343327495.db2.gz YUXAOOKQNMXUKB-AVGNSLFASA-N 2 1 212.381 2.495 10 0 BEAEMP CC(C)[N@H+]1CCc2ccccc2[C@H]1CC[NH3+] ZINC000616678185 343535914 /nfs/dbraw/zinc/53/59/14/343535914.db2.gz GIOYSSNYRSUWTG-CQSZACIVSA-N 2 1 218.344 2.343 10 0 BEAEMP FC1(F)CCC[C@@H]2C[N@H+](C3CC[NH2+]CC3)C[C@@H]21 ZINC000409431490 343823324 /nfs/dbraw/zinc/82/33/24/343823324.db2.gz SMLZHNROBGCDGV-PWSUYJOCSA-N 2 1 244.329 2.106 10 0 BEAEMP CC(F)(F)[C@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 ZINC000409433742 343830162 /nfs/dbraw/zinc/83/01/62/343830162.db2.gz ZCLVLDDEXOKHAG-JTQLQIEISA-N 2 1 232.318 2.106 10 0 BEAEMP CC[N@@H+]1CCCC[C@H]1[C@H]1CCCCC[NH2+]1 ZINC000100289069 344411264 /nfs/dbraw/zinc/41/12/64/344411264.db2.gz AHUOOIMPGMLGTN-OLZOCXBDSA-N 2 1 210.365 2.393 10 0 BEAEMP CC[N@H+]1CCCC[C@H]1[C@H]1CCCCC[NH2+]1 ZINC000100289069 344411266 /nfs/dbraw/zinc/41/12/66/344411266.db2.gz AHUOOIMPGMLGTN-OLZOCXBDSA-N 2 1 210.365 2.393 10 0 BEAEMP C[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000230903942 349922283 /nfs/dbraw/zinc/92/22/83/349922283.db2.gz DTDOFYNAYVGQID-CQSZACIVSA-N 2 1 218.344 2.118 10 0 BEAEMP C[C@H]1C[N@@H+](C[C@H]2CCC[C@@H](C)C2)C[C@@H]1C[NH3+] ZINC000634999734 345199960 /nfs/dbraw/zinc/19/99/60/345199960.db2.gz YKJLQUOWKUPZSJ-RFGFWPKPSA-N 2 1 224.392 2.339 10 0 BEAEMP Cc1cc(F)ccc1C[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000634999667 345200648 /nfs/dbraw/zinc/20/06/48/345200648.db2.gz XOCUEKZOXISMEW-YPMHNXCESA-N 2 1 236.334 2.161 10 0 BEAEMP C[C@@H]1C[N@@H+](C[C@H]2CCC[C@@H](C)C2)C[C@@H]1C[NH3+] ZINC000634999733 345200672 /nfs/dbraw/zinc/20/06/72/345200672.db2.gz YKJLQUOWKUPZSJ-MQYQWHSLSA-N 2 1 224.392 2.339 10 0 BEAEMP CCOc1cc(NCCC[NH3+])[nH+]c2ccccc21 ZINC000033948161 345946567 /nfs/dbraw/zinc/94/65/67/345946567.db2.gz ZVTGRVNYMPEODP-UHFFFAOYSA-N 2 1 245.326 2.394 10 0 BEAEMP Cc1cccc(C[N@H+]2CC[NH2+]C[C@H](C)C2)c1 ZINC000049662236 179078462 /nfs/dbraw/zinc/07/84/62/179078462.db2.gz RGPSZQVPGADQMK-ZDUSSCGKSA-N 2 1 218.344 2.036 10 0 BEAEMP Cc1cccc(C[N@@H+]2CC[NH2+]C[C@H](C)C2)c1 ZINC000049662236 179078465 /nfs/dbraw/zinc/07/84/65/179078465.db2.gz RGPSZQVPGADQMK-ZDUSSCGKSA-N 2 1 218.344 2.036 10 0 BEAEMP Cc1cccc(C[N@@H+]2CC[NH2+][C@H](C)CC2)c1 ZINC000049662242 179080177 /nfs/dbraw/zinc/08/01/77/179080177.db2.gz PXATUJQXWUZOQG-CYBMUJFWSA-N 2 1 218.344 2.179 10 0 BEAEMP Cc1cccc(C[N@H+]2CC[NH2+][C@H](C)CC2)c1 ZINC000049662242 179080180 /nfs/dbraw/zinc/08/01/80/179080180.db2.gz PXATUJQXWUZOQG-CYBMUJFWSA-N 2 1 218.344 2.179 10 0 BEAEMP CC[N@H+]1CC[C@@H](C[NH3+])[C@H]1c1ccsc1 ZINC000250321183 362799350 /nfs/dbraw/zinc/79/93/50/362799350.db2.gz NELRLMCURWMTCL-ONGXEEELSA-N 2 1 210.346 2.090 10 0 BEAEMP Cc1ccccc1[C@@H](C)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000049526092 179318690 /nfs/dbraw/zinc/31/86/90/179318690.db2.gz AOFCKLMJEGXDGQ-CHWSQXEVSA-N 2 1 218.344 2.337 10 0 BEAEMP Cc1ccccc1[C@@H]([C@@H](C)[NH3+])[NH+]1CCCC1 ZINC000043033255 179328680 /nfs/dbraw/zinc/32/86/80/179328680.db2.gz WAFPXFYLPSMKFY-TZMCWYRMSA-N 2 1 218.344 2.479 10 0 BEAEMP C[C@H]1C[C@H](C[NH+]2CCCCC2)[NH2+][C@@H](C)C1 ZINC000669381789 537996229 /nfs/dbraw/zinc/99/62/29/537996229.db2.gz VLCSIZYULOYTOY-FRRDWIJNSA-N 2 1 210.365 2.249 10 0 BEAEMP Cc1[nH+]cn([C@@H](C[NH3+])c2ccccc2C)c1C ZINC000051925684 179341565 /nfs/dbraw/zinc/34/15/65/179341565.db2.gz FHAQKFKKDRZWKV-AWEZNQCLSA-N 2 1 229.327 2.356 10 0 BEAEMP CC1CC[NH+](C[C@@H]2C[C@H](C)C[C@@H](C)[NH2+]2)CC1 ZINC000669381535 537997370 /nfs/dbraw/zinc/99/73/70/537997370.db2.gz NKOBGUZTAKNETR-MCIONIFRSA-N 2 1 224.392 2.495 10 0 BEAEMP CSCCCC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000133590466 191041407 /nfs/dbraw/zinc/04/14/07/191041407.db2.gz QITPSGWTMHPDCZ-RYUDHWBXSA-N 2 1 230.421 2.202 10 0 BEAEMP C[C@@H](Cc1ccccc1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000062179947 350224315 /nfs/dbraw/zinc/22/43/15/350224315.db2.gz FTIJVWUYXLEMTG-DZGCQCFKSA-N 2 1 232.371 2.288 10 0 BEAEMP Cc1[nH+]ccn1[C@H](C[NH3+])c1ccc(Cl)s1 ZINC000043254340 180272596 /nfs/dbraw/zinc/27/25/96/180272596.db2.gz NRPSDAJYHFQQMQ-MRVPVSSYSA-N 2 1 241.747 2.455 10 0 BEAEMP Cc1[nH+]ccn1CCOc1ccccc1[C@H](C)[NH3+] ZINC000049329347 180263349 /nfs/dbraw/zinc/26/33/49/180263349.db2.gz BYTLKIADFQGIDG-NSHDSACASA-N 2 1 245.326 2.290 10 0 BEAEMP Cc1[nH+]ccn1[C@@H](c1ccc(F)cc1)[C@H](C)[NH3+] ZINC000042915855 180270944 /nfs/dbraw/zinc/27/09/44/180270944.db2.gz MLJBYISACZGJDJ-TVQRCGJNSA-N 2 1 233.290 2.267 10 0 BEAEMP Cc1[nH+]ccn1[C@H](c1cccc(F)c1)[C@@H](C)[NH3+] ZINC000042973154 180271556 /nfs/dbraw/zinc/27/15/56/180271556.db2.gz MQCRFLSXJNETHD-RNCFNFMXSA-N 2 1 233.290 2.267 10 0 BEAEMP Cc1[nH+]ccn1[C@H](c1ccccc1F)[C@@H](C)[NH3+] ZINC000043046121 180271693 /nfs/dbraw/zinc/27/16/93/180271693.db2.gz UMBZKDATENRKFE-RNCFNFMXSA-N 2 1 233.290 2.267 10 0 BEAEMP Cc1[nH+]ccn1[C@H]1CCCCCC[C@H]1[NH3+] ZINC000023069057 180272058 /nfs/dbraw/zinc/27/20/58/180272058.db2.gz KORPKIZVVPVRJG-NEPJUHHUSA-N 2 1 207.321 2.414 10 0 BEAEMP Cc1[nH+]cn([C@@H](c2ccsc2)[C@H](C)[NH3+])c1C ZINC000051925925 180288890 /nfs/dbraw/zinc/28/88/90/180288890.db2.gz NFQIHXUGFQNRAE-QPUJVOFHSA-N 2 1 235.356 2.498 10 0 BEAEMP Cc1[nH+]cn([C@H](c2cccs2)[C@H](C)[NH3+])c1C ZINC000051925922 180288925 /nfs/dbraw/zinc/28/89/25/180288925.db2.gz UZJNSJRPPWVIRK-UFBFGSQYSA-N 2 1 235.356 2.498 10 0 BEAEMP Cc1[nH+]cn([C@@H]2CCCCC[C@H]2[NH3+])c1C ZINC000051926505 180289911 /nfs/dbraw/zinc/28/99/11/180289911.db2.gz VXNNSWQIHMITJY-VXGBXAGGSA-N 2 1 207.321 2.332 10 0 BEAEMP Cc1[nH+]cn([C@H]([C@@H](C)[NH3+])C(C)(C)C)c1C ZINC000051925565 180289960 /nfs/dbraw/zinc/28/99/60/180289960.db2.gz DVYJMLBASGHKHK-LDYMZIIASA-N 2 1 209.337 2.434 10 0 BEAEMP CC(C)C[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H]1C[C@H]1C ZINC000336650157 350575570 /nfs/dbraw/zinc/57/55/70/350575570.db2.gz DPEWTJHYRJYMND-HZSPNIEDSA-N 2 1 224.392 2.352 10 0 BEAEMP CC(C)C[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H]1C[C@H]1C ZINC000336650157 350575572 /nfs/dbraw/zinc/57/55/72/350575572.db2.gz DPEWTJHYRJYMND-HZSPNIEDSA-N 2 1 224.392 2.352 10 0 BEAEMP CC(C)C[N@@H+](C[C@]1(C)CC[NH2+]C1)C1CC1 ZINC000062911929 350562780 /nfs/dbraw/zinc/56/27/80/350562780.db2.gz GGVUQWWZOPBDOX-CYBMUJFWSA-N 2 1 210.365 2.106 10 0 BEAEMP CC(C)[N@@H+]1CCC[C@H](c2cc[nH+]c(N)c2)CC1 ZINC000616600554 350780442 /nfs/dbraw/zinc/78/04/42/350780442.db2.gz DYEIPMKTMBAYKW-LBPRGKRZSA-N 2 1 233.359 2.472 10 0 BEAEMP CC(C)[N@H+]1CCC[C@H](c2cc[nH+]c(N)c2)CC1 ZINC000616600554 350780445 /nfs/dbraw/zinc/78/04/45/350780445.db2.gz DYEIPMKTMBAYKW-LBPRGKRZSA-N 2 1 233.359 2.472 10 0 BEAEMP CC(=[NH2+])N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000307219236 351619021 /nfs/dbraw/zinc/61/90/21/351619021.db2.gz WCCMICPLNIDCQC-BXUZGUMPSA-N 2 1 231.343 2.236 10 0 BEAEMP CC(=[NH2+])N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000307219238 351619171 /nfs/dbraw/zinc/61/91/71/351619171.db2.gz WCCMICPLNIDCQC-RISCZKNCSA-N 2 1 231.343 2.236 10 0 BEAEMP Cc1[nH+]ccn1-c1cccc([C@H](C)[NH3+])c1 ZINC000082382099 187776735 /nfs/dbraw/zinc/77/67/35/187776735.db2.gz ZVOQEUONAARFIA-VIFPVBQESA-N 2 1 201.273 2.200 10 0 BEAEMP Cc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)nc1C ZINC000578004874 366172963 /nfs/dbraw/zinc/17/29/63/366172963.db2.gz CRBPHMYLOQRABW-ZIAGYGMSSA-N 2 1 247.386 2.176 10 0 BEAEMP [NH3+]C[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000675061134 538486836 /nfs/dbraw/zinc/48/68/36/538486836.db2.gz YHPAGVSVNBAPRL-ZNMIVQPWSA-N 2 1 230.355 2.103 10 0 BEAEMP CC[C@@H]1CC[C@H](C)[N@H+]1C1[C@H](C)C[NH2+]C[C@H]1C ZINC000685951077 538894285 /nfs/dbraw/zinc/89/42/85/538894285.db2.gz MMZRJMSZIHTYQP-FVCCEPFGSA-N 2 1 224.392 2.493 10 0 BEAEMP CCCC[N@@H+](CC)C1[C@@H](C)C[NH2+]C[C@@H]1C ZINC000685950909 538894594 /nfs/dbraw/zinc/89/45/94/538894594.db2.gz HRYQCAYBSJOKAP-RYUDHWBXSA-N 2 1 212.381 2.352 10 0 BEAEMP C[C@@H]1CCC[N@H+]([C@H]2[C@H](C)C[NH2+]C[C@@H]2C)[C@@H]1C ZINC000685951780 538895122 /nfs/dbraw/zinc/89/51/22/538895122.db2.gz YBEXMWBJOJKQSU-RGDJUOJXSA-N 2 1 224.392 2.351 10 0 BEAEMP CC[N@H+]1CCC[C@@H]1CN(C)c1cc[nH+]cc1C ZINC000192643182 357841554 /nfs/dbraw/zinc/84/15/54/357841554.db2.gz WCHPCGBSFHWQQN-CYBMUJFWSA-N 2 1 233.359 2.311 10 0 BEAEMP [NH3+]CC[N@@H+]1CCC2(C1)C1CC3CC(C1)CC2C3 ZINC000584650402 358305078 /nfs/dbraw/zinc/30/50/78/358305078.db2.gz HZRVQVKUEVWAQN-UHFFFAOYSA-N 2 1 234.387 2.093 10 0 BEAEMP [NH3+]CC[N@H+]1CCC2(C1)C1CC3CC(C1)CC2C3 ZINC000584650402 358305079 /nfs/dbraw/zinc/30/50/79/358305079.db2.gz HZRVQVKUEVWAQN-UHFFFAOYSA-N 2 1 234.387 2.093 10 0 BEAEMP C1C[N@@H+]2CCCC[C@H]2[C@H]1[NH2+][C@@H]1CCCSC1 ZINC000061576227 358935096 /nfs/dbraw/zinc/93/50/96/358935096.db2.gz KANUHZYSSMSOHQ-AGIUHOORSA-N 2 1 240.416 2.098 10 0 BEAEMP C1C[N@H+]2CCCC[C@H]2[C@H]1[NH2+][C@@H]1CCCSC1 ZINC000061576227 358935101 /nfs/dbraw/zinc/93/51/01/358935101.db2.gz KANUHZYSSMSOHQ-AGIUHOORSA-N 2 1 240.416 2.098 10 0 BEAEMP C[N@H+]1CCC[C@H]2C[NH+](CC(C)(C)C)CC[C@@H]21 ZINC000246445194 359089991 /nfs/dbraw/zinc/08/99/91/359089991.db2.gz NMUUSSWUGRSSTO-STQMWFEESA-N 2 1 224.392 2.449 10 0 BEAEMP C[NH+]1CCC[C@H]2C[N@H+](CC(C)(C)C)CC[C@@H]21 ZINC000246445194 359089993 /nfs/dbraw/zinc/08/99/93/359089993.db2.gz NMUUSSWUGRSSTO-STQMWFEESA-N 2 1 224.392 2.449 10 0 BEAEMP C[NH+]1CCC[C@H]2C[N@@H+](CC(C)(C)C)CC[C@@H]21 ZINC000246445194 359089996 /nfs/dbraw/zinc/08/99/96/359089996.db2.gz NMUUSSWUGRSSTO-STQMWFEESA-N 2 1 224.392 2.449 10 0 BEAEMP Cc1cc(C)cc([C@@H]2C[C@@H]([NH3+])CC[N@@H+]2C)c1 ZINC000074081416 541312402 /nfs/dbraw/zinc/31/24/02/541312402.db2.gz IOSQOEUPJUENIE-KBPBESRZSA-N 2 1 218.344 2.397 10 0 BEAEMP CO[C@@H]1C[N@H+](CCCC2CCC2)[C@](C)(C[NH3+])C1 ZINC000630366430 364086504 /nfs/dbraw/zinc/08/65/04/364086504.db2.gz KLHDANVAOUYKBX-KBPBESRZSA-N 2 1 240.391 2.005 10 0 BEAEMP CO[C@@H]1C[N@@H+](CCCC2CCC2)[C@](C)(C[NH3+])C1 ZINC000630366430 364086506 /nfs/dbraw/zinc/08/65/06/364086506.db2.gz KLHDANVAOUYKBX-KBPBESRZSA-N 2 1 240.391 2.005 10 0 BEAEMP CO[C@@H]1C[N@@H+](C[C@H](C)CC(C)C)[C@](C)(C[NH3+])C1 ZINC000630370017 364087055 /nfs/dbraw/zinc/08/70/55/364087055.db2.gz YJAYDCHHHZHORS-RDBSUJKOSA-N 2 1 242.407 2.107 10 0 BEAEMP Cc1cccc([C@@H]2C[C@H]([NH3+])CC[N@@H+]2C)c1 ZINC000074204359 541344316 /nfs/dbraw/zinc/34/43/16/541344316.db2.gz LVJRACXGEULFOF-OLZOCXBDSA-N 2 1 204.317 2.089 10 0 BEAEMP [NH3+]CC1([N@@H+]2CCc3ccccc3C2)CCCC1 ZINC000019511051 181360650 /nfs/dbraw/zinc/36/06/50/181360650.db2.gz NDAXGKVRZIMZSO-UHFFFAOYSA-N 2 1 230.355 2.316 10 0 BEAEMP [NH3+]C[C@H]1CC[C@H](Nc2cc[nH+]cc2Cl)CC1 ZINC000630557690 364255533 /nfs/dbraw/zinc/25/55/33/364255533.db2.gz SDNNUBYDWIFWMI-MGCOHNPYSA-N 2 1 239.750 2.086 10 0 BEAEMP [NH3+]CCCC[N@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC000036809588 181376293 /nfs/dbraw/zinc/37/62/93/181376293.db2.gz ABKZHWMVHLQCIZ-STQMWFEESA-N 2 1 210.365 2.237 10 0 BEAEMP [NH3+]CCC[N@@H+](Cc1ccncc1)C1CCCC1 ZINC000034960484 181379622 /nfs/dbraw/zinc/37/96/22/181379622.db2.gz XOWBCNMTBNLYMS-UHFFFAOYSA-N 2 1 233.359 2.175 10 0 BEAEMP NCC[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000037712954 181396571 /nfs/dbraw/zinc/39/65/71/181396571.db2.gz QDFFIZKJYIFGNO-LBPRGKRZSA-N 2 1 224.735 2.339 10 0 BEAEMP [NH3+]CC[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000037712954 181396572 /nfs/dbraw/zinc/39/65/72/181396572.db2.gz QDFFIZKJYIFGNO-LBPRGKRZSA-N 2 1 224.735 2.339 10 0 BEAEMP [NH3+]CC[C@@H]1CC[N@H+](C2CCCCCC2)C1 ZINC000077304318 181406267 /nfs/dbraw/zinc/40/62/67/181406267.db2.gz BEYXREZGDWSNAX-GFCCVEGCSA-N 2 1 210.365 2.380 10 0 BEAEMP C[C@@H]1C[C@H]([N@@H+]2[C@H](C)CCC[C@@H]2C)CC[NH2+]1 ZINC000675056246 541462438 /nfs/dbraw/zinc/46/24/38/541462438.db2.gz NBIOJMORQJJEIV-FVCCEPFGSA-N 2 1 210.365 2.390 10 0 BEAEMP CCc1ccc(C[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000631837390 369094104 /nfs/dbraw/zinc/09/41/04/369094104.db2.gz RZXVYIYBLMLVIM-DOMZBBRYSA-N 2 1 232.371 2.276 10 0 BEAEMP C[C@H]1C[N@@H+](Cc2cc3ccccc3o2)C[C@@H]1C[NH3+] ZINC000631838115 369116907 /nfs/dbraw/zinc/11/69/07/369116907.db2.gz JCFAJTAOGPHUTK-AAEUAGOBSA-N 2 1 244.338 2.459 10 0 BEAEMP [NH3+]C[C@]1([NH+]2CCCC2)CCCc2ccccc21 ZINC000038960063 181471219 /nfs/dbraw/zinc/47/12/19/181471219.db2.gz ZMXDLYKLKRATOO-OAHLLOKOSA-N 2 1 230.355 2.273 10 0 BEAEMP C[C@H](C[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1)C(C)(C)C ZINC000631837060 372627735 /nfs/dbraw/zinc/62/77/35/372627735.db2.gz MJDFPDORDOBHLL-UTUOFQBUSA-N 2 1 212.381 2.195 10 0 BEAEMP C[C@H]1C[N@@H+](CCC2CCCC2)C[C@@H]1C[NH3+] ZINC000631839946 372636854 /nfs/dbraw/zinc/63/68/54/372636854.db2.gz NEVFXQZDWVQKFL-AAEUAGOBSA-N 2 1 210.365 2.093 10 0 BEAEMP C[C@@H](c1cccc(F)c1)[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631839370 372637031 /nfs/dbraw/zinc/63/70/31/372637031.db2.gz FPLXSOGBFIQVLW-MDZLAQPJSA-N 2 1 236.334 2.413 10 0 BEAEMP CCC[NH2+]CC[N@@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC000245225525 373198840 /nfs/dbraw/zinc/19/88/40/373198840.db2.gz XJJYIGYEJPSVBJ-KGLIPLIRSA-N 2 1 224.392 2.498 10 0 BEAEMP CCC[NH2+]CC[N@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC000245225525 373198842 /nfs/dbraw/zinc/19/88/42/373198842.db2.gz XJJYIGYEJPSVBJ-KGLIPLIRSA-N 2 1 224.392 2.498 10 0 BEAEMP CC[N@H+]1CC[C@@H](C[NH3+])[C@@H]1c1cccs1 ZINC000069797047 373807769 /nfs/dbraw/zinc/80/77/69/373807769.db2.gz QLFKYTPQXNLPEE-GXSJLCMTSA-N 2 1 210.346 2.090 10 0 BEAEMP C1CC([NH+]2CCC([NH+]3CCCC3)CC2)C1 ZINC000178981902 134314019 /nfs/dbraw/zinc/31/40/19/134314019.db2.gz WTROSRQQGLVZQC-UHFFFAOYSA-N 2 1 208.349 2.099 10 0 BEAEMP CCCC[C@H]([NH3+])C[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000042689444 169009353 /nfs/dbraw/zinc/00/93/53/169009353.db2.gz JJGIMHFNXHZNQU-JSGCOSHPSA-N 2 1 242.407 2.251 10 0 BEAEMP CCC[N@H+]1CC[C@@H]([NH2+]CC(C)C)C[C@@H]1C ZINC000073655950 169206281 /nfs/dbraw/zinc/20/62/81/169206281.db2.gz XQLAIQKDMNUQBO-QWHCGFSZSA-N 2 1 212.381 2.495 10 0 BEAEMP CCC[NH2+]CC(C)(C)C[N@@H+](CC)[C@H](C)COC ZINC000051250777 169256217 /nfs/dbraw/zinc/25/62/17/169256217.db2.gz QRFJRFRCWSBUND-CYBMUJFWSA-N 2 1 244.423 2.369 10 0 BEAEMP CCC[NH2+]CCC[C@@H](C)[N@@H+](C)C[C@@H]1CCCO1 ZINC000052541011 169256661 /nfs/dbraw/zinc/25/66/61/169256661.db2.gz QIJDTYKEJJNQIR-KGLIPLIRSA-N 2 1 242.407 2.266 10 0 BEAEMP CCC[NH2+]C[C@@H](CC)[N@H+](C)C[C@@H]1CCCOC1 ZINC000104191491 169262300 /nfs/dbraw/zinc/26/23/00/169262300.db2.gz SWYWTVPZLGJSJB-UONOGXRCSA-N 2 1 242.407 2.123 10 0 BEAEMP CCC[NH2+]C[C@@H](CC)[N@@H+](C)C[C@@H]1CCCOC1 ZINC000104191491 169262302 /nfs/dbraw/zinc/26/23/02/169262302.db2.gz SWYWTVPZLGJSJB-UONOGXRCSA-N 2 1 242.407 2.123 10 0 BEAEMP CCC[NH2+]C[C@@]1(C[N@@H+](CC)CCC)CCOC1 ZINC000051214832 169263751 /nfs/dbraw/zinc/26/37/51/169263751.db2.gz DIWSFSVCKPBSLN-CQSZACIVSA-N 2 1 242.407 2.125 10 0 BEAEMP CCC[NH2+]C[C@H]1CC[C@H](C[N@@H+](C)CC(C)C)O1 ZINC000052452816 169264938 /nfs/dbraw/zinc/26/49/38/169264938.db2.gz LNPBERLHCJEFHU-ZIAGYGMSSA-N 2 1 242.407 2.121 10 0 BEAEMP c1ccc(CC[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000037408334 183392838 /nfs/dbraw/zinc/39/28/38/183392838.db2.gz OIBZNNHEOJJCBG-HNNXBMFYSA-N 2 1 244.382 2.303 10 0 BEAEMP c1ccc(CC[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000037408335 183393933 /nfs/dbraw/zinc/39/39/33/183393933.db2.gz OIBZNNHEOJJCBG-OAHLLOKOSA-N 2 1 244.382 2.303 10 0 BEAEMP CCC[NH2+]Cc1ccoc1C[N@@H+](C)C1CC1 ZINC000052445271 169268477 /nfs/dbraw/zinc/26/84/77/169268477.db2.gz NNKSGFXHBAUQQF-UHFFFAOYSA-N 2 1 222.332 2.373 10 0 BEAEMP c1ccc(C[N@H+]2CCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000082346762 183399621 /nfs/dbraw/zinc/39/96/21/183399621.db2.gz AIXYZOFSNKRARQ-CABCVRRESA-N 2 1 230.355 2.261 10 0 BEAEMP CCCO[C@H]1CCC[N@@H+](CCCC[NH2+]CC)C1 ZINC000052371476 169312121 /nfs/dbraw/zinc/31/21/21/169312121.db2.gz JAAUCXSKBIQWDP-AWEZNQCLSA-N 2 1 242.407 2.267 10 0 BEAEMP CCCc1[nH+]c2cc(N)ccc2n1CC[NH+](C)C ZINC000052842599 169594581 /nfs/dbraw/zinc/59/45/81/169594581.db2.gz DBTMIAVQFBPHFW-UHFFFAOYSA-N 2 1 246.358 2.133 10 0 BEAEMP CCCC[N@H+]1CC[C@@H]([NH2+]C2CC2)[C@@H](C)C1 ZINC000226858732 134370256 /nfs/dbraw/zinc/37/02/56/134370256.db2.gz VFTKUGRNJDBQKJ-WCQYABFASA-N 2 1 210.365 2.249 10 0 BEAEMP CS[C@@H]1CCCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000336460623 383951465 /nfs/dbraw/zinc/95/14/65/383951465.db2.gz OMKRDNQHACRNCX-CHWSQXEVSA-N 2 1 242.432 2.204 10 0 BEAEMP [NH3+][C@@H]1CCN(c2cc[nH+]c3ccc(Cl)cc32)C1 ZINC000073738698 384020846 /nfs/dbraw/zinc/02/08/46/384020846.db2.gz YJHDYEIRTSPMLR-SNVBAGLBSA-N 2 1 247.729 2.426 10 0 BEAEMP C[N@@H+](C[C@H]1CCC(F)(F)C1)[C@@H]1CCC[NH2+]CC1 ZINC000302315796 384141424 /nfs/dbraw/zinc/14/14/24/384141424.db2.gz BSXGTXXWHUMIPC-NWDGAFQWSA-N 2 1 246.345 2.496 10 0 BEAEMP CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000300358044 384357810 /nfs/dbraw/zinc/35/78/10/384357810.db2.gz BAOUMAKRZSBJQF-LPWJVIDDSA-N 2 1 210.365 2.247 10 0 BEAEMP CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000300358044 384357815 /nfs/dbraw/zinc/35/78/15/384357815.db2.gz BAOUMAKRZSBJQF-LPWJVIDDSA-N 2 1 210.365 2.247 10 0 BEAEMP CCC[C@H]1C[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000300369475 384703182 /nfs/dbraw/zinc/70/31/82/384703182.db2.gz RHCLBWFLCMCPKE-WYTNZGFTSA-N 2 1 222.376 2.390 10 0 BEAEMP CC(C)CC[NH2+]C[C@H]1CCn2cc[nH+]c2C1 ZINC000364611575 384897110 /nfs/dbraw/zinc/89/71/10/384897110.db2.gz YZMDLFKGGFRKBS-LBPRGKRZSA-N 2 1 221.348 2.081 10 0 BEAEMP CC[NH+](CC)[C@@H](C)C[NH2+][C@@H](C)CC1CC1 ZINC000127599571 384905879 /nfs/dbraw/zinc/90/58/79/384905879.db2.gz KHCOFFRSYCWJOZ-RYUDHWBXSA-N 2 1 212.381 2.495 10 0 BEAEMP CC[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+]1CC(C)C ZINC000090773190 385094028 /nfs/dbraw/zinc/09/40/28/385094028.db2.gz STRITDZSTAFZSU-CHWSQXEVSA-N 2 1 212.381 2.495 10 0 BEAEMP CC[C@@H](C)[NH2+]C[C@H]1CCC[N@H+]1CC(C)C ZINC000090773190 385094037 /nfs/dbraw/zinc/09/40/37/385094037.db2.gz STRITDZSTAFZSU-CHWSQXEVSA-N 2 1 212.381 2.495 10 0 BEAEMP c1cn2c([nH+]1)CC[C@H]([NH2+]C1CCCCC1)C2 ZINC000309672517 385787345 /nfs/dbraw/zinc/78/73/45/385787345.db2.gz KMZWZUOUYALGTC-LBPRGKRZSA-N 2 1 219.332 2.120 10 0 BEAEMP CCC[C@H]1C[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000336644574 386595346 /nfs/dbraw/zinc/59/53/46/386595346.db2.gz CHOWTIBLUQBHTM-SMDDNHRTSA-N 2 1 222.376 2.391 10 0 BEAEMP CC(C)([NH3+])C[NH2+]Cc1ccnc2ccccc12 ZINC000514586971 387002637 /nfs/dbraw/zinc/00/26/37/387002637.db2.gz HLBUUSUQELWBFS-UHFFFAOYSA-N 2 1 229.327 2.062 10 0 BEAEMP CC[C@@]1([NH3+])CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000575562203 387701632 /nfs/dbraw/zinc/70/16/32/387701632.db2.gz ZHXPTTZXIIJRLF-GXTWGEPZSA-N 2 1 218.344 2.388 10 0 BEAEMP CC[C@@]1([NH3+])CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000575562203 387701639 /nfs/dbraw/zinc/70/16/39/387701639.db2.gz ZHXPTTZXIIJRLF-GXTWGEPZSA-N 2 1 218.344 2.388 10 0 BEAEMP C[C@H](CC[NH2+][C@@H]1CC[NH2+]C1)CC(C)(C)C ZINC000423061714 387866892 /nfs/dbraw/zinc/86/68/92/387866892.db2.gz RKFLEJGQVQGVBM-VXGBXAGGSA-N 2 1 212.381 2.400 10 0 BEAEMP C[C@@H](CC[NH2+][C@@H]1CC[NH2+]C1)CC(C)(C)C ZINC000423061712 387867425 /nfs/dbraw/zinc/86/74/25/387867425.db2.gz RKFLEJGQVQGVBM-NWDGAFQWSA-N 2 1 212.381 2.400 10 0 BEAEMP C[C@@H](CC[NH2+][C@H]1CC[NH2+]C1)CC(C)(C)C ZINC000423061713 387868183 /nfs/dbraw/zinc/86/81/83/387868183.db2.gz RKFLEJGQVQGVBM-RYUDHWBXSA-N 2 1 212.381 2.400 10 0 BEAEMP C[C@H](c1ccccn1)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000310322681 388480925 /nfs/dbraw/zinc/48/09/25/388480925.db2.gz XPCNPADICOQYSQ-YRGRVCCFSA-N 2 1 233.359 2.059 10 0 BEAEMP C[C@@H]([NH2+]Cc1cc(F)ccc1F)[C@@H]1CC[NH2+]C1 ZINC000400353144 533439997 /nfs/dbraw/zinc/43/99/97/533439997.db2.gz NNVFIACMRNNBEM-NXEZZACHSA-N 2 1 240.297 2.052 10 0 BEAEMP C[C@@H]([NH2+]Cc1ccccc1Cl)[C@@H]1CC[NH2+]C1 ZINC000400764470 533459694 /nfs/dbraw/zinc/45/96/94/533459694.db2.gz YYLMASQBKLDUNB-GHMZBOCLSA-N 2 1 238.762 2.428 10 0 BEAEMP CC[NH+](CC)c1ccc(N2CCC[C@@H]([NH3+])C2)cc1 ZINC000057956380 132367595 /nfs/dbraw/zinc/36/75/95/132367595.db2.gz QPWONFMONKKDOE-CYBMUJFWSA-N 2 1 247.386 2.460 10 0 BEAEMP C[C@@H]1CCN(c2cc[nH+]cc2Cl)[C@@H](C[NH3+])C1 ZINC000235371264 132395475 /nfs/dbraw/zinc/39/54/75/132395475.db2.gz QJNKEXDNRSXBMN-NXEZZACHSA-N 2 1 239.750 2.299 10 0 BEAEMP C1CC1N1CCC[C@@H]2C[N@H+](C3CCC3)CC[C@@H]21 ZINC000179587060 134322307 /nfs/dbraw/zinc/32/23/07/134322307.db2.gz IJMIXASKKHRQSM-DOMZBBRYSA-N 2 1 234.387 2.488 10 0 BEAEMP C1CC1[N@@H+]1CCC[C@@H]2C[NH+](C3CCC3)CC[C@@H]21 ZINC000179587060 134322308 /nfs/dbraw/zinc/32/23/08/134322308.db2.gz IJMIXASKKHRQSM-DOMZBBRYSA-N 2 1 234.387 2.488 10 0 BEAEMP C1CC1[N@H+]1CCC[C@@H]2C[NH+](C3CCC3)CC[C@@H]21 ZINC000179587060 134322309 /nfs/dbraw/zinc/32/23/09/134322309.db2.gz IJMIXASKKHRQSM-DOMZBBRYSA-N 2 1 234.387 2.488 10 0 BEAEMP Cc1cccc(N(C)CC[C@H]([NH3+])C(C)C)[nH+]1 ZINC000227738488 134385859 /nfs/dbraw/zinc/38/58/59/134385859.db2.gz MLLWMLOJDLGUJM-LBPRGKRZSA-N 2 1 221.348 2.200 10 0 BEAEMP CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252728708 135102874 /nfs/dbraw/zinc/10/28/74/135102874.db2.gz CKUZDPSZJNLYIS-MQYQWHSLSA-N 2 1 222.376 2.391 10 0 BEAEMP CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000252732458 135104425 /nfs/dbraw/zinc/10/44/25/135104425.db2.gz VDUPWUSEVQNAQH-SYQHCUMBSA-N 2 1 224.392 2.495 10 0 BEAEMP CC1(C)C[N@@H+](Cc2cccs2)CC[C@@H]1[NH3+] ZINC000258899943 135135501 /nfs/dbraw/zinc/13/55/01/135135501.db2.gz UTYBLCUFIPRDGK-NSHDSACASA-N 2 1 224.373 2.307 10 0 BEAEMP [NH3+][C@H]1CCC[N@H+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC000261533085 135164528 /nfs/dbraw/zinc/16/45/28/135164528.db2.gz KALUORYYDAPINQ-MNOVXSKESA-N 2 1 232.318 2.235 10 0 BEAEMP [NH3+][C@H]1CCC[N@@H+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC000261533085 135164530 /nfs/dbraw/zinc/16/45/30/135164530.db2.gz KALUORYYDAPINQ-MNOVXSKESA-N 2 1 232.318 2.235 10 0 BEAEMP CC1CCC(C[N@H+]2CCC[C@H](C[NH3+])C2)CC1 ZINC000084339657 135210556 /nfs/dbraw/zinc/21/05/56/135210556.db2.gz SPFWUHOXAFEVFU-JXQTWKCFSA-N 2 1 224.392 2.483 10 0 BEAEMP C[C@H]([NH3+])[C@H]1CC[N@@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000394486495 410795161 /nfs/dbraw/zinc/79/51/61/410795161.db2.gz HSMDQQVNBRFMAU-SRVKXCTJSA-N 2 1 246.345 2.481 10 0 BEAEMP CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000396590140 410887732 /nfs/dbraw/zinc/88/77/32/410887732.db2.gz JHBPOEZMYCVWSQ-RNJOBUHISA-N 2 1 210.365 2.295 10 0 BEAEMP CC(C)C[NH2+]CC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000038019067 167003215 /nfs/dbraw/zinc/00/32/15/167003215.db2.gz NXJAUMURBJRHJU-YHWZYXNKSA-N 2 1 210.365 2.105 10 0 BEAEMP CC(C)C[NH2+]C[C@@H](C)C[N@H+](C)Cc1ccncc1 ZINC000052480904 167005538 /nfs/dbraw/zinc/00/55/38/167005538.db2.gz ZNBIRGAVWSMEAO-CQSZACIVSA-N 2 1 249.402 2.395 10 0 BEAEMP CC(C)C[NH2+]C[C@@H](C)C[N@@H+](C)Cc1ccncc1 ZINC000052480904 167005539 /nfs/dbraw/zinc/00/55/39/167005539.db2.gz ZNBIRGAVWSMEAO-CQSZACIVSA-N 2 1 249.402 2.395 10 0 BEAEMP CC(C)C[NH2+]C[C@@H]1CC[N@H+](Cc2cccnc2)C1 ZINC000053013043 167006928 /nfs/dbraw/zinc/00/69/28/167006928.db2.gz PDDGJLVCAPXPEA-HNNXBMFYSA-N 2 1 247.386 2.149 10 0 BEAEMP CC(C)C[NH2+]C[C@@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC000053013043 167006931 /nfs/dbraw/zinc/00/69/31/167006931.db2.gz PDDGJLVCAPXPEA-HNNXBMFYSA-N 2 1 247.386 2.149 10 0 BEAEMP CC(C)[NH2+]CC(C)(C)C[N@@H+](C)C1CCOCC1 ZINC000051218285 167097644 /nfs/dbraw/zinc/09/76/44/167097644.db2.gz RZENJECIBXBLPH-UHFFFAOYSA-N 2 1 242.407 2.121 10 0 BEAEMP CC(C)[NH2+]CCCC[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000043427997 167102622 /nfs/dbraw/zinc/10/26/22/167102622.db2.gz QGFFJJQDFVWZAI-UONOGXRCSA-N 2 1 240.391 2.018 10 0 BEAEMP CC(C)[NH2+]C[C@@H](C)C[N@@H+](C)C[C@@H]1CCCCO1 ZINC000052507206 167111207 /nfs/dbraw/zinc/11/12/07/167111207.db2.gz IWZIOXULGKQASP-KGLIPLIRSA-N 2 1 242.407 2.121 10 0 BEAEMP CC(C)[NH2+]C[C@@H]1CC[N@@H+]([C@@H](C)c2cccnc2)C1 ZINC000053031106 167113369 /nfs/dbraw/zinc/11/33/69/167113369.db2.gz BBFJKLDVRISLMU-KBPBESRZSA-N 2 1 247.386 2.463 10 0 BEAEMP CC(C)[NH2+]C[C@@H]1CC[N@H+]([C@@H](C)c2cccnc2)C1 ZINC000053031106 167113371 /nfs/dbraw/zinc/11/33/71/167113371.db2.gz BBFJKLDVRISLMU-KBPBESRZSA-N 2 1 247.386 2.463 10 0 BEAEMP CC(C)[C@@H](C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000309325478 167384634 /nfs/dbraw/zinc/38/46/34/167384634.db2.gz GKFCWHAZKQYSQE-SNVBAGLBSA-N 2 1 241.404 2.339 10 0 BEAEMP Cn1c[nH+]cc1CCC[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000653776681 411165739 /nfs/dbraw/zinc/16/57/39/411165739.db2.gz BFPOTFNFIRNMJE-IACUBPJLSA-N 2 1 233.359 2.131 10 0 BEAEMP CC1CCC([N@H+]2CCC[C@H](C[NH3+])C2)CC1 ZINC000044527794 168160705 /nfs/dbraw/zinc/16/07/05/168160705.db2.gz TUJROXPGECJTIT-OTTFEQOBSA-N 2 1 210.365 2.236 10 0 BEAEMP [NH3+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1C1CC1 ZINC000131417874 411527896 /nfs/dbraw/zinc/52/78/96/411527896.db2.gz RTKLFDDVHWPKPT-AWEZNQCLSA-N 2 1 230.355 2.487 10 0 BEAEMP [NH3+]C[C@@H]1CCC[N@H+]1Cc1ccccc1C1CC1 ZINC000131417874 411527898 /nfs/dbraw/zinc/52/78/98/411527898.db2.gz RTKLFDDVHWPKPT-AWEZNQCLSA-N 2 1 230.355 2.487 10 0 BEAEMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccnc2)[C@H](C)C1 ZINC000125745186 170010776 /nfs/dbraw/zinc/01/07/76/170010776.db2.gz AICNSSLIIGHRCQ-UKRRQHHQSA-N 2 1 247.386 2.244 10 0 BEAEMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccnc2)[C@H](C)C1 ZINC000125745186 170010777 /nfs/dbraw/zinc/01/07/77/170010777.db2.gz AICNSSLIIGHRCQ-UKRRQHHQSA-N 2 1 247.386 2.244 10 0 BEAEMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccnc2)[C@H](C)C1 ZINC000125745186 170010778 /nfs/dbraw/zinc/01/07/78/170010778.db2.gz AICNSSLIIGHRCQ-UKRRQHHQSA-N 2 1 247.386 2.244 10 0 BEAEMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccnc2)[C@H](C)C1 ZINC000125745186 170010779 /nfs/dbraw/zinc/01/07/79/170010779.db2.gz AICNSSLIIGHRCQ-UKRRQHHQSA-N 2 1 247.386 2.244 10 0 BEAEMP CC[N@@H+]1CC[C@H]([NH+]2CCCCC2)C[C@@H]1C ZINC000073655772 170019577 /nfs/dbraw/zinc/01/95/77/170019577.db2.gz HACCXFVGOBDVMD-STQMWFEESA-N 2 1 210.365 2.345 10 0 BEAEMP CC[N@H+]1CC[C@H]([NH+]2CCCCC2)C[C@@H]1C ZINC000073655772 170019578 /nfs/dbraw/zinc/01/95/78/170019578.db2.gz HACCXFVGOBDVMD-STQMWFEESA-N 2 1 210.365 2.345 10 0 BEAEMP CC[NH2+]CCC[N@H+](C)Cc1cccc(OC)c1 ZINC000042442198 170113065 /nfs/dbraw/zinc/11/30/65/170113065.db2.gz AJQMPRKVOXTTIJ-UHFFFAOYSA-N 2 1 236.359 2.127 10 0 BEAEMP CC[NH2+]CCC[N@@H+](C)Cc1cccc(OC)c1 ZINC000042442198 170113066 /nfs/dbraw/zinc/11/30/66/170113066.db2.gz AJQMPRKVOXTTIJ-UHFFFAOYSA-N 2 1 236.359 2.127 10 0 BEAEMP CC[NH2+]C[C@@H](C(C)C)[NH+]1CCC(OCC)CC1 ZINC000052483914 170118053 /nfs/dbraw/zinc/11/80/53/170118053.db2.gz WCMZIKJYLLCFJM-AWEZNQCLSA-N 2 1 242.407 2.121 10 0 BEAEMP CC[NH2+]C[C@H](C(C)C)[NH+]1CCC(OCC)CC1 ZINC000052483915 170120803 /nfs/dbraw/zinc/12/08/03/170120803.db2.gz WCMZIKJYLLCFJM-CQSZACIVSA-N 2 1 242.407 2.121 10 0 BEAEMP CC[NH2+]Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H]2C3)o1 ZINC000052543811 170126893 /nfs/dbraw/zinc/12/68/93/170126893.db2.gz AUNAGJKTBITHQK-NWDGAFQWSA-N 2 1 234.343 2.373 10 0 BEAEMP CC[NH2+][C@@H]1CCC[C@@H]1n1c[nH+]c(C)c1C ZINC000051926864 170150620 /nfs/dbraw/zinc/15/06/20/170150620.db2.gz HLANFZKLEPFFIH-NEPJUHHUSA-N 2 1 207.321 2.203 10 0 BEAEMP CC[NH2+][C@@H]1CCC[C@@H]1C[N@@H+](CC)CCOCC ZINC000104190884 170150629 /nfs/dbraw/zinc/15/06/29/170150629.db2.gz KWPLJDWRAPAYKO-ZIAGYGMSSA-N 2 1 242.407 2.123 10 0 BEAEMP CC[NH2+][C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC000037259761 170166916 /nfs/dbraw/zinc/16/69/16/170166916.db2.gz QAUIIZBIXPZVFO-ZDUSSCGKSA-N 2 1 210.365 2.251 10 0 BEAEMP CC[NH2+][C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC000037259761 170166918 /nfs/dbraw/zinc/16/69/18/170166918.db2.gz QAUIIZBIXPZVFO-ZDUSSCGKSA-N 2 1 210.365 2.251 10 0 BEAEMP CC[NH2+][C@H]1CC[N@H+](C(C2CC2)C2CC2)C[C@@H]1C ZINC000049713708 170167027 /nfs/dbraw/zinc/16/70/27/170167027.db2.gz OVEFFKQXTGBDAM-FZMZJTMJSA-N 2 1 236.403 2.495 10 0 BEAEMP C[N@@H+](CC1CC=CC1)[C@@H]1CCC[NH2+]CC1 ZINC000662265438 412056705 /nfs/dbraw/zinc/05/67/05/412056705.db2.gz AMEOZQYKEUTOEK-CYBMUJFWSA-N 2 1 208.349 2.027 10 0 BEAEMP CC[C@@H]1CC[N@@H+](CC2CCC2)C[C@H](C)C[NH2+]1 ZINC000049665861 171007858 /nfs/dbraw/zinc/00/78/58/171007858.db2.gz WUMSNNNLLBBFRC-TZMCWYRMSA-N 2 1 224.392 2.497 10 0 BEAEMP CC[C@@H]1COCC[N@H+]1CCCC[NH2+]CC(C)C ZINC000052481361 171105976 /nfs/dbraw/zinc/10/59/76/171105976.db2.gz FNFMMERABDAZIH-CQSZACIVSA-N 2 1 242.407 2.123 10 0 BEAEMP CC[C@@H]1COCC[N@H+]1[C@@H](C)CCC[NH2+]C1CC1 ZINC000052481575 171108606 /nfs/dbraw/zinc/10/86/06/171108606.db2.gz BDCYWOHCTRWSDS-GXTWGEPZSA-N 2 1 240.391 2.018 10 0 BEAEMP CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(C[NH3+])cc1 ZINC000036128045 171109750 /nfs/dbraw/zinc/10/97/50/171109750.db2.gz VAHRTNYUNCWIPU-SWLSCSKDSA-N 2 1 248.370 2.145 10 0 BEAEMP CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cccc(C[NH3+])c1 ZINC000036128093 171110228 /nfs/dbraw/zinc/11/02/28/171110228.db2.gz IZPNOQXRZSJTGH-SWLSCSKDSA-N 2 1 248.370 2.145 10 0 BEAEMP CCc1[nH+]ccn1[C@@H](C[NH3+])c1cccs1 ZINC000043107464 172028824 /nfs/dbraw/zinc/02/88/24/172028824.db2.gz GVTVXXBWIKRIJT-VIFPVBQESA-N 2 1 221.329 2.055 10 0 BEAEMP CCc1[nH+]ccn1[C@@H](c1cccs1)[C@H](C)[NH3+] ZINC000043107479 172029682 /nfs/dbraw/zinc/02/96/82/172029682.db2.gz ZSBGBWXDDSALRC-JOYOIKCWSA-N 2 1 235.356 2.444 10 0 BEAEMP CCc1[nH+]ccn1[C@H](C[NH3+])c1ccccc1C ZINC000043038033 172029773 /nfs/dbraw/zinc/02/97/73/172029773.db2.gz UTIMJICWXQOQJS-CYBMUJFWSA-N 2 1 229.327 2.302 10 0 BEAEMP CCc1[nH+]ccn1[C@H](C[NH3+])c1ccc(C)s1 ZINC000043243733 172030072 /nfs/dbraw/zinc/03/00/72/172030072.db2.gz DOUHVXNHXWIIRL-SNVBAGLBSA-N 2 1 235.356 2.364 10 0 BEAEMP C[N@H+]1CCC[C@H]1CC[NH2+]Cc1ccccc1 ZINC000034017283 173052291 /nfs/dbraw/zinc/05/22/91/173052291.db2.gz BOMGTDONYIEQMW-AWEZNQCLSA-N 2 1 218.344 2.261 10 0 BEAEMP C[N@H+]1CC[C@@]2(CC[NH+](CCC(C)(F)F)C2)C1 ZINC000336268476 173139899 /nfs/dbraw/zinc/13/98/99/173139899.db2.gz SOMJEPLFNIIJAN-GFCCVEGCSA-N 2 1 232.318 2.059 10 0 BEAEMP C[NH+]1CC[C@@]2(CC[N@H+](CCC(C)(F)F)C2)C1 ZINC000336268476 173139902 /nfs/dbraw/zinc/13/99/02/173139902.db2.gz SOMJEPLFNIIJAN-GFCCVEGCSA-N 2 1 232.318 2.059 10 0 BEAEMP C[NH+]1CC[C@@]2(CC[N@@H+](CCC(C)(F)F)C2)C1 ZINC000336268476 173139903 /nfs/dbraw/zinc/13/99/03/173139903.db2.gz SOMJEPLFNIIJAN-GFCCVEGCSA-N 2 1 232.318 2.059 10 0 BEAEMP C[N@H+]1CC[C@]2(CC[NH+](CCC(C)(F)F)C2)C1 ZINC000336268477 173168510 /nfs/dbraw/zinc/16/85/10/173168510.db2.gz SOMJEPLFNIIJAN-LBPRGKRZSA-N 2 1 232.318 2.059 10 0 BEAEMP C[NH+]1CC[C@]2(CC[N@H+](CCC(C)(F)F)C2)C1 ZINC000336268477 173168511 /nfs/dbraw/zinc/16/85/11/173168511.db2.gz SOMJEPLFNIIJAN-LBPRGKRZSA-N 2 1 232.318 2.059 10 0 BEAEMP C[NH+]1CC[C@]2(CC[N@@H+](CCC(C)(F)F)C2)C1 ZINC000336268477 173168514 /nfs/dbraw/zinc/16/85/14/173168514.db2.gz SOMJEPLFNIIJAN-LBPRGKRZSA-N 2 1 232.318 2.059 10 0 BEAEMP C[N@H+]1[C@@H]2CCC[C@H]1CC([NH2+]C1CCC1)C2 ZINC000083846956 173205104 /nfs/dbraw/zinc/20/51/04/173205104.db2.gz KOCJQWZRCCCWFC-YHWZYXNKSA-N 2 1 208.349 2.144 10 0 BEAEMP C[N@@H+]1[C@@H]2CCC[C@H]1CC([NH2+]C1CCC1)C2 ZINC000083846956 173205107 /nfs/dbraw/zinc/20/51/07/173205107.db2.gz KOCJQWZRCCCWFC-YHWZYXNKSA-N 2 1 208.349 2.144 10 0 BEAEMP C[N@@H+]1[C@@H]2CCC[C@H]1CC([NH2+]CC1CC1)C2 ZINC000083847011 173205552 /nfs/dbraw/zinc/20/55/52/173205552.db2.gz NMXBIFCJCQQITD-YHWZYXNKSA-N 2 1 208.349 2.001 10 0 BEAEMP C[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+]CC(C)(C)C)C2 ZINC000040492776 173207481 /nfs/dbraw/zinc/20/74/81/173207481.db2.gz VNILNLNNHYLYEX-YOGCLGLASA-N 2 1 210.365 2.247 10 0 BEAEMP C[NH2+]C1CC[NH+](Cc2cc(C)cc(C)c2)CC1 ZINC000038076632 173322496 /nfs/dbraw/zinc/32/24/96/173322496.db2.gz ACWBFZCSNUBRHK-UHFFFAOYSA-N 2 1 232.371 2.487 10 0 BEAEMP C[NH2+]CC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000052382972 173358149 /nfs/dbraw/zinc/35/81/49/173358149.db2.gz IRUBLNOTGLEBQP-JTQLQIEISA-N 2 1 224.373 2.104 10 0 BEAEMP C[NH2+]CC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000052382972 173358150 /nfs/dbraw/zinc/35/81/50/173358150.db2.gz IRUBLNOTGLEBQP-JTQLQIEISA-N 2 1 224.373 2.104 10 0 BEAEMP C[NH2+]CC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000083008630 173358346 /nfs/dbraw/zinc/35/83/46/173358346.db2.gz POVGHOFEDXLJDF-CQSZACIVSA-N 2 1 218.344 2.118 10 0 BEAEMP C[NH2+]C[C@H]1CCC[N@@H+]([C@H](C)c2ccco2)C1 ZINC000040592768 173378894 /nfs/dbraw/zinc/37/88/94/173378894.db2.gz AQXKHBVIZOEKEC-VXGBXAGGSA-N 2 1 222.332 2.272 10 0 BEAEMP C[NH2+]C[C@H]1CCC[N@H+]([C@H](C)c2ccco2)C1 ZINC000040592768 173378895 /nfs/dbraw/zinc/37/88/95/173378895.db2.gz AQXKHBVIZOEKEC-VXGBXAGGSA-N 2 1 222.332 2.272 10 0 BEAEMP C[NH2+]Cc1cc(C[N@H+]2CC[C@H](C)C2)c(C)o1 ZINC000052484654 173387092 /nfs/dbraw/zinc/38/70/92/173387092.db2.gz QVQJPTNLOOQDCW-JTQLQIEISA-N 2 1 222.332 2.149 10 0 BEAEMP C[NH2+]Cc1cc(C[N@@H+](C)[C@H](C)C(C)(C)C)on1 ZINC000052504412 173387101 /nfs/dbraw/zinc/38/71/01/173387101.db2.gz KLPWEIAMPJJNBQ-SNVBAGLBSA-N 2 1 239.363 2.260 10 0 BEAEMP C[NH2+]Cc1cc(C[N@H+]2CC[C@@H](C)C2)c(C)o1 ZINC000052484656 173387199 /nfs/dbraw/zinc/38/71/99/173387199.db2.gz QVQJPTNLOOQDCW-SNVBAGLBSA-N 2 1 222.332 2.149 10 0 BEAEMP COCCC[N@@H+](CCC[NH3+])C1CCCCCC1 ZINC000037753576 174222997 /nfs/dbraw/zinc/22/29/97/174222997.db2.gz NNURIOABYIQUSM-UHFFFAOYSA-N 2 1 242.407 2.397 10 0 BEAEMP COCC[N@@H+](C1CC1)C1(C[NH3+])CCCCCC1 ZINC000042517886 174284610 /nfs/dbraw/zinc/28/46/10/174284610.db2.gz FXCPDGVAHFZFBY-UHFFFAOYSA-N 2 1 240.391 2.149 10 0 BEAEMP COCC[N@@H+](CCCC[NH2+]C(C)(C)C)C1CC1 ZINC000052542347 174290689 /nfs/dbraw/zinc/29/06/89/174290689.db2.gz YLBKDUXXCUEPEB-UHFFFAOYSA-N 2 1 242.407 2.266 10 0 BEAEMP COc1ccc(C[N@H+](CC[NH3+])CC(C)C)cc1 ZINC000032090141 175096818 /nfs/dbraw/zinc/09/68/18/175096818.db2.gz BFWLBQRIWWLDEU-UHFFFAOYSA-N 2 1 236.359 2.112 10 0 BEAEMP COc1ccc(C[N@@H+](CC[NH3+])CC(C)C)cc1 ZINC000032090141 175096821 /nfs/dbraw/zinc/09/68/21/175096821.db2.gz BFWLBQRIWWLDEU-UHFFFAOYSA-N 2 1 236.359 2.112 10 0 BEAEMP COc1cccc(C[N@H+]2CCC[C@H]2CC[NH3+])c1 ZINC000082341619 175258256 /nfs/dbraw/zinc/25/82/56/175258256.db2.gz NGNPPCCBPSOYND-ZDUSSCGKSA-N 2 1 234.343 2.008 10 0 BEAEMP C[C@@H](c1ccccc1)[N@@H+](C)CCCC[NH3+] ZINC000049813583 176020952 /nfs/dbraw/zinc/02/09/52/176020952.db2.gz XFWUPIBDJSXDJL-LBPRGKRZSA-N 2 1 206.333 2.418 10 0 BEAEMP C[C@@H]1CCCC[C@@H]1[N@@H+](C)C1(CN)CCOCC1 ZINC000042606717 176078043 /nfs/dbraw/zinc/07/80/43/176078043.db2.gz NWYUYCAJYRMMJT-OLZOCXBDSA-N 2 1 240.391 2.005 10 0 BEAEMP C[C@@H]1CCCC[C@]1(CN)[N@H+]1CCCSCC1 ZINC000042443614 176089932 /nfs/dbraw/zinc/08/99/32/176089932.db2.gz DJCVHWGKHFTUOL-CHWSQXEVSA-N 2 1 242.432 2.333 10 0 BEAEMP C[C@@H]1CCC[N@H+](C2CCC([NH3+])CC2)[C@@H]1C ZINC000055144675 176096989 /nfs/dbraw/zinc/09/69/89/176096989.db2.gz LVZBVVSRPGNKFV-OKZRHMCRSA-N 2 1 210.365 2.377 10 0 BEAEMP C[C@@H]1CCC[N@@H+](C[C@@H]2CCCC[C@@H]2[NH3+])C1 ZINC000058081458 176099067 /nfs/dbraw/zinc/09/90/67/176099067.db2.gz ROEZKSQLMWMKKZ-AGIUHOORSA-N 2 1 210.365 2.236 10 0 BEAEMP C[C@@H]1CCC[N@@H+](Cc2occc2C[NH3+])[C@@H]1C ZINC000052373318 176103302 /nfs/dbraw/zinc/10/33/02/176103302.db2.gz OUINUMFZGWQVJF-GHMZBOCLSA-N 2 1 222.332 2.359 10 0 BEAEMP C[C@@H]1CCC[N@H+]1C[C@@H](C[NH3+])c1ccccc1 ZINC000037910133 176109174 /nfs/dbraw/zinc/10/91/74/176109174.db2.gz GRGNXXPXOFCZLI-TZMCWYRMSA-N 2 1 218.344 2.213 10 0 BEAEMP C[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH3+] ZINC000037910045 176110333 /nfs/dbraw/zinc/11/03/33/176110333.db2.gz FQBIDFQQCKDJRA-LLVKDONJSA-N 2 1 204.317 2.130 10 0 BEAEMP C[C@@H]1CCC[C@H]([N@H+]2CCCN[C@H](C)C2)C1 ZINC000062570378 176140305 /nfs/dbraw/zinc/14/03/05/176140305.db2.gz DSANCQKOGOSTQV-UPJWGTAASA-N 2 1 210.365 2.249 10 0 BEAEMP C[C@@H]1CC[N@@H+](Cc2occc2C[NH3+])[C@H](C)C1 ZINC000052509992 176179255 /nfs/dbraw/zinc/17/92/55/176179255.db2.gz LYNDXDOLHBKPAN-GHMZBOCLSA-N 2 1 222.332 2.359 10 0 BEAEMP C[C@@H]1CC[N@H+]([C@@H](CC(N)=[NH2+])c2ccccc2)C1 ZINC000055023089 176179980 /nfs/dbraw/zinc/17/99/80/176179980.db2.gz XETMMTVEQOMZNJ-YPMHNXCESA-N 2 1 231.343 2.396 10 0 BEAEMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1ccc(F)cc1 ZINC000042427376 176202821 /nfs/dbraw/zinc/20/28/21/176202821.db2.gz NMAOAWLKDGEAHC-YPMHNXCESA-N 2 1 236.334 2.385 10 0 BEAEMP C[C@@H]1CC[C@H](C[NH3+])[C@H]([N@@H+](C)Cc2cccnc2)C1 ZINC000036770828 176223480 /nfs/dbraw/zinc/22/34/80/176223480.db2.gz RRQKZZHCRBCWNX-BPLDGKMQSA-N 2 1 247.386 2.277 10 0 BEAEMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1CCC(C)(C)C ZINC000042427491 176223685 /nfs/dbraw/zinc/22/36/85/176223685.db2.gz UQKOUERYGKPTGQ-VXGBXAGGSA-N 2 1 212.381 2.482 10 0 BEAEMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1ccccc1F ZINC000042427280 176223812 /nfs/dbraw/zinc/22/38/12/176223812.db2.gz MGADHQSYXNFFFM-VXGBXAGGSA-N 2 1 236.334 2.385 10 0 BEAEMP C[C@H]1[C@@H]([NH3+])[C@@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000068592989 176306404 /nfs/dbraw/zinc/30/64/04/176306404.db2.gz MCYADVOUXKSBRH-RGCMKSIDSA-N 2 1 232.371 2.490 10 0 BEAEMP C[C@H]1[C@@H]([NH3+])[C@@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC000068592989 176306405 /nfs/dbraw/zinc/30/64/05/176306405.db2.gz MCYADVOUXKSBRH-RGCMKSIDSA-N 2 1 232.371 2.490 10 0 BEAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)[C@H](C)[C@@H]1[NH3+] ZINC000068592769 176306458 /nfs/dbraw/zinc/30/64/58/176306458.db2.gz CNGGMQNYSIBNDV-QVHKTLOISA-N 2 1 232.371 2.490 10 0 BEAEMP C[C@@H]1COCC[N@H+]1CCCCC[NH2+]C(C)(C)C ZINC000052476028 176335501 /nfs/dbraw/zinc/33/55/01/176335501.db2.gz OZFNRKKNVSVKPX-CYBMUJFWSA-N 2 1 242.407 2.266 10 0 BEAEMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCc1cccc(F)c1 ZINC000049711363 176370538 /nfs/dbraw/zinc/37/05/38/176370538.db2.gz XGKLTGZLTJZDDX-RISCZKNCSA-N 2 1 236.334 2.180 10 0 BEAEMP C[C@@H]1C[C@@H](N(C)CCc2ccccn2)CC[N@@H+]1C ZINC000123144030 176370720 /nfs/dbraw/zinc/37/07/20/176370720.db2.gz PPMXLCSVSASEKN-HIFRSBDPSA-N 2 1 247.386 2.039 10 0 BEAEMP C[C@@H]1C[C@@H](N(C)CCc2ccccn2)CC[N@H+]1C ZINC000123144030 176370721 /nfs/dbraw/zinc/37/07/21/176370721.db2.gz PPMXLCSVSASEKN-HIFRSBDPSA-N 2 1 247.386 2.039 10 0 BEAEMP C[C@@H]1C[C@@H]([NH+](C)CCc2ccccn2)CC[N@@H+]1C ZINC000123144030 176370722 /nfs/dbraw/zinc/37/07/22/176370722.db2.gz PPMXLCSVSASEKN-HIFRSBDPSA-N 2 1 247.386 2.039 10 0 BEAEMP C[C@@H]1C[C@@H]([NH+](C)CCc2ccccn2)CC[N@H+]1C ZINC000123144030 176370723 /nfs/dbraw/zinc/37/07/23/176370723.db2.gz PPMXLCSVSASEKN-HIFRSBDPSA-N 2 1 247.386 2.039 10 0 BEAEMP C[C@@H]1C[C@@H]([N@H+](C)CCc2ccccn2)CC[NH+]1C ZINC000123144030 176370724 /nfs/dbraw/zinc/37/07/24/176370724.db2.gz PPMXLCSVSASEKN-HIFRSBDPSA-N 2 1 247.386 2.039 10 0 BEAEMP C[C@@H]1C[C@@H]([N@@H+](C)CCc2ccccn2)CC[NH+]1C ZINC000123144030 176370725 /nfs/dbraw/zinc/37/07/25/176370725.db2.gz PPMXLCSVSASEKN-HIFRSBDPSA-N 2 1 247.386 2.039 10 0 BEAEMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCOC1CCCCC1 ZINC000104436815 176370829 /nfs/dbraw/zinc/37/08/29/176370829.db2.gz FBCAZTYABKPMIJ-OLZOCXBDSA-N 2 1 240.391 2.147 10 0 BEAEMP C[C@@H]1C[C@@H]1C[N@@H+](C)Cc1ccc(C(N)=[NH2+])cc1 ZINC000104417801 176391900 /nfs/dbraw/zinc/39/19/00/176391900.db2.gz TYSPICQPHWJRSZ-ZWNOBZJWSA-N 2 1 231.343 2.058 10 0 BEAEMP C[C@H](c1ccc(N)cc1)[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071187845 177034405 /nfs/dbraw/zinc/03/44/05/177034405.db2.gz CVCYWZXLXHMQST-CHWSQXEVSA-N 2 1 247.386 2.213 10 0 BEAEMP C[C@H](c1ccc(N)cc1)[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071187845 177034407 /nfs/dbraw/zinc/03/44/07/177034407.db2.gz CVCYWZXLXHMQST-CHWSQXEVSA-N 2 1 247.386 2.213 10 0 BEAEMP C[C@H](c1ccc(N)cc1)[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071187845 177034409 /nfs/dbraw/zinc/03/44/09/177034409.db2.gz CVCYWZXLXHMQST-CHWSQXEVSA-N 2 1 247.386 2.213 10 0 BEAEMP C[C@H](c1nccs1)[N@@H+](C)CC1CC[NH2+]CC1 ZINC000086701693 177054418 /nfs/dbraw/zinc/05/44/18/177054418.db2.gz YXWZABUMFGYPHJ-SNVBAGLBSA-N 2 1 239.388 2.136 10 0 BEAEMP C[C@H]1CCC[N@H+]1CC1(C[NH3+])CCCCC1 ZINC000051205608 177108774 /nfs/dbraw/zinc/10/87/74/177108774.db2.gz GZJIBNFVKQZHSU-LBPRGKRZSA-N 2 1 210.365 2.380 10 0 BEAEMP C[C@@H]1CC[N@H+](CCc2ccccn2)CC[C@H](C)[NH2+]1 ZINC000049666548 177161695 /nfs/dbraw/zinc/16/16/95/177161695.db2.gz CINGFDBWDRQKMH-OKILXGFUSA-N 2 1 247.386 2.087 10 0 BEAEMP C[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]([NH3+])C1 ZINC000038587394 177165056 /nfs/dbraw/zinc/16/50/56/177165056.db2.gz BXJFSICAWIZSFJ-GXTWGEPZSA-N 2 1 218.344 2.246 10 0 BEAEMP C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]([NH3+])C1 ZINC000038587394 177165058 /nfs/dbraw/zinc/16/50/58/177165058.db2.gz BXJFSICAWIZSFJ-GXTWGEPZSA-N 2 1 218.344 2.246 10 0 BEAEMP C[C@H]1CC[N@@H+](Cc2ccccc2)CCC[NH2+]1 ZINC000049664190 177165323 /nfs/dbraw/zinc/16/53/23/177165323.db2.gz UPEMOVGXUYJDBR-ZDUSSCGKSA-N 2 1 218.344 2.261 10 0 BEAEMP C[C@@H]1C[NH2+]C[C@H](C)C[N@H+](CC(C)(C)C)C1 ZINC000049667094 177284968 /nfs/dbraw/zinc/28/49/68/177284968.db2.gz ZTBUGKWPMYPZLF-TXEJJXNPSA-N 2 1 212.381 2.210 10 0 BEAEMP C[C@H]1C[C@@H]([NH+](C)CCc2ccccn2)CC[N@@H+]1C ZINC000123144235 177327224 /nfs/dbraw/zinc/32/72/24/177327224.db2.gz PPMXLCSVSASEKN-ZFWWWQNUSA-N 2 1 247.386 2.039 10 0 BEAEMP C[C@H]1C[C@@H]([NH+](C)CCc2ccccn2)CC[N@H+]1C ZINC000123144235 177327226 /nfs/dbraw/zinc/32/72/26/177327226.db2.gz PPMXLCSVSASEKN-ZFWWWQNUSA-N 2 1 247.386 2.039 10 0 BEAEMP C[C@H]1C[C@@H]([N@H+](C)CCc2ccccn2)CC[NH+]1C ZINC000123144235 177327228 /nfs/dbraw/zinc/32/72/28/177327228.db2.gz PPMXLCSVSASEKN-ZFWWWQNUSA-N 2 1 247.386 2.039 10 0 BEAEMP C[C@H]1C[C@@H]([N@@H+](C)CCc2ccccn2)CC[NH+]1C ZINC000123144235 177327230 /nfs/dbraw/zinc/32/72/30/177327230.db2.gz PPMXLCSVSASEKN-ZFWWWQNUSA-N 2 1 247.386 2.039 10 0 BEAEMP C[C@H]1C[C@H](CC[NH3+])C[N@H+]1Cc1ccccc1 ZINC000083254963 177360330 /nfs/dbraw/zinc/36/03/30/177360330.db2.gz MNHIPMWKEKKGBU-JSGCOSHPSA-N 2 1 218.344 2.246 10 0 BEAEMP CC(C)CC[N@@H+](C)C[C@H]([NH3+])CC(C)C ZINC000042457848 487970298 /nfs/dbraw/zinc/97/02/98/487970298.db2.gz YVDRODNXOWXSSW-GFCCVEGCSA-N 2 1 200.370 2.338 10 0 BEAEMP C[C@@H]([NH3+])C[C@H](C)Nc1cc[nH+]cc1Cl ZINC000165755626 326426239 /nfs/dbraw/zinc/42/62/39/326426239.db2.gz FMFBWLHKVYPAJU-SFYZADRCSA-N 2 1 213.712 2.273 10 0 BEAEMP C[C@H](Cc1ccsc1)[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000396689664 487996294 /nfs/dbraw/zinc/99/62/94/487996294.db2.gz ZYTZRHSZOZFCGJ-NQBHXWOUSA-N 2 1 238.400 2.409 10 0 BEAEMP CC(C)(CC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1)C1CC1 ZINC000406020576 487495088 /nfs/dbraw/zinc/49/50/88/487495088.db2.gz DKRSTCGEYFGTAR-IACUBPJLSA-N 2 1 236.403 2.482 10 0 BEAEMP CCOCCC[N@@H+]1CCC[C@]12CC[C@@H](C)[NH2+]C2 ZINC000757125357 582499980 /nfs/dbraw/zinc/49/99/80/582499980.db2.gz DJJZTJPTLJMUDT-ZIAGYGMSSA-N 2 1 240.391 2.020 10 0 BEAEMP CCOCCC[N@H+]1CCC[C@]12CC[C@@H](C)[NH2+]C2 ZINC000757125357 582499982 /nfs/dbraw/zinc/49/99/82/582499982.db2.gz DJJZTJPTLJMUDT-ZIAGYGMSSA-N 2 1 240.391 2.020 10 0 BEAEMP C[C@@H]1C[NH2+]C[C@@]2(CCC[N@H+]2CCC2CC2)C1 ZINC000757128196 582503003 /nfs/dbraw/zinc/50/30/03/582503003.db2.gz JMVFACMNFOHGFJ-GXTWGEPZSA-N 2 1 222.376 2.251 10 0 BEAEMP C(C[N@H+]1CCCC12CC[NH2+]CC2)C1CCC1 ZINC000757127932 582503395 /nfs/dbraw/zinc/50/33/95/582503395.db2.gz IDZGISUXMBMCOV-UHFFFAOYSA-N 2 1 222.376 2.395 10 0 BEAEMP C[C@@H](C1CC1)[N@H+]1CCCC12CC[NH2+]CC2 ZINC000757134204 582510713 /nfs/dbraw/zinc/51/07/13/582510713.db2.gz WSKFFWZUIJQNCR-NSHDSACASA-N 2 1 208.349 2.003 10 0 BEAEMP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@@H]1CCCC(F)(F)C1 ZINC000261538210 536458702 /nfs/dbraw/zinc/45/87/02/536458702.db2.gz SHSNVGWNJXGSBF-NEPJUHHUSA-N 2 1 246.345 2.496 10 0 BEAEMP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@@H]1CCCC(F)(F)C1 ZINC000261538210 536458706 /nfs/dbraw/zinc/45/87/06/536458706.db2.gz SHSNVGWNJXGSBF-NEPJUHHUSA-N 2 1 246.345 2.496 10 0 BEAEMP CC[C@@H]1C[NH+]([C@@H]2CC[NH2+][C@@H](C)C2)C[C@@H](CC)O1 ZINC000398581556 583144771 /nfs/dbraw/zinc/14/47/71/583144771.db2.gz MIEBNOIMWPTYFX-REWJHTLYSA-N 2 1 240.391 2.016 10 0 BEAEMP CC(C)C[N@H+]1CCC[C@]12CC[C@@H](C)[NH2+]C2 ZINC000757124090 582499589 /nfs/dbraw/zinc/49/95/89/582499589.db2.gz BUOKJDINPYODGE-CHWSQXEVSA-N 2 1 210.365 2.249 10 0 BEAEMP C[C@@H]1C[C@@H]1[N@H+]1CCC[C@@]12CCC[NH2+][C@@H]2C ZINC000757126504 582500461 /nfs/dbraw/zinc/50/04/61/582500461.db2.gz FYQUXPWBMFWGDT-FVCCEPFGSA-N 2 1 208.349 2.001 10 0 BEAEMP CCC[C@@H](C)[N@H+]1CCCC12CC[NH2+]CC2 ZINC000757126770 582501372 /nfs/dbraw/zinc/50/13/72/582501372.db2.gz GZWIFCKGUNYTAK-GFCCVEGCSA-N 2 1 210.365 2.393 10 0 BEAEMP C[C@@H]1C[C@H](C)[NH2+]C2(CC(C)(C)[NH2+]C(C)(C)C2)O1 ZINC000757144990 582526152 /nfs/dbraw/zinc/52/61/52/582526152.db2.gz HMTXQMSQAKHVJY-WDEREUQCSA-N 2 1 240.391 2.410 10 0 BEAEMP C[C@@H]1C[C@@H]1[N@H+]1CCC[C@]12CC[C@@H](C)[NH2+]C2 ZINC000757131089 586426302 /nfs/dbraw/zinc/42/63/02/586426302.db2.gz PETFBWQQYSALJD-FVCCEPFGSA-N 2 1 208.349 2.001 10 0 BEAEMP C[C@@H]1CC[C@@]2(CCC[N@H+]2CCC2CC2)C[NH2+]1 ZINC000757129671 586426507 /nfs/dbraw/zinc/42/65/07/586426507.db2.gz MSXUDPRIDMHTGJ-OCCSQVGLSA-N 2 1 222.376 2.393 10 0 BEAEMP CC(C)C[N@H+]1CCC[C@]12C[NH2+]C[C@H](C)C2 ZINC000757133706 586427049 /nfs/dbraw/zinc/42/70/49/586427049.db2.gz UAOGOGXWNSLEPY-OLZOCXBDSA-N 2 1 210.365 2.106 10 0 BEAEMP CC(C)C[N@H+]1CCC[C@@]12C[NH2+]C[C@H](C)C2 ZINC000757133699 586427181 /nfs/dbraw/zinc/42/71/81/586427181.db2.gz UAOGOGXWNSLEPY-CHWSQXEVSA-N 2 1 210.365 2.106 10 0 BEAEMP [NH3+][C@@H]1CC[NH2+][C@@H](c2cscc2C(F)F)C1 ZINC000757232403 586443022 /nfs/dbraw/zinc/44/30/22/586443022.db2.gz IEDPIXRQHXVBFC-HZGVNTEJSA-N 2 1 232.299 2.438 10 0 BEAEMP C[NH2+]C1CC[NH+]([C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000044677409 640452669 /nfs/dbraw/zinc/45/26/69/640452669.db2.gz CEFMBDBBIOFTRZ-LSDHHAIUSA-N 2 1 230.355 2.226 10 0 BEAEMP CCc1cc(NCCCCCC[NH3+])nc(C)[nH+]1 ZINC000234138892 643517636 /nfs/dbraw/zinc/51/76/36/643517636.db2.gz AMKAGQBQWDSGNX-UHFFFAOYSA-N 2 1 236.363 2.278 10 0 BEAEMP Cc1ccc([C@H]2C[C@@H]([NH3+])CC[N@@H+]2C)cc1 ZINC000074204371 643654073 /nfs/dbraw/zinc/65/40/73/643654073.db2.gz YVHHPBHDNOEETG-QWHCGFSZSA-N 2 1 204.317 2.089 10 0 BEAEMP C[N@@H+](CCc1cccs1)[C@@H]1CCC[NH2+]CC1 ZINC000086441807 644137503 /nfs/dbraw/zinc/13/75/03/644137503.db2.gz AFKDGIUYCIZNMM-GFCCVEGCSA-N 2 1 238.400 2.365 10 0 BEAEMP CC[C@@H]1CC[C@@H](C)[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000136231802 711691138 /nfs/dbraw/zinc/69/11/38/711691138.db2.gz BKOKHDKCWOHQRU-FVCCEPFGSA-N 2 1 210.365 2.377 10 0 BEAEMP CO[C@@H]1C[N@@H+](C[C@H](C)C(C)(C)C)[C@@](C)(C[NH3+])C1 ZINC000710765681 712256161 /nfs/dbraw/zinc/25/61/61/712256161.db2.gz SCUGPKOVDFPJBL-SGMGOOAPSA-N 2 1 242.407 2.107 10 0 BEAEMP Cc1cc(C)nc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)c1 ZINC000723845282 711539040 /nfs/dbraw/zinc/53/90/40/711539040.db2.gz GUMBKNKSYWBIDT-HNNXBMFYSA-N 2 1 247.386 2.272 10 0 BEAEMP Cc1cc(C)nc(C[N@H+](C)[C@H]2CCC[NH2+]CC2)c1 ZINC000723845282 711539041 /nfs/dbraw/zinc/53/90/41/711539041.db2.gz GUMBKNKSYWBIDT-HNNXBMFYSA-N 2 1 247.386 2.272 10 0 BEAEMP C[N@@H+](CCCCCC[NH3+])Cc1ccccn1 ZINC000036777698 712494841 /nfs/dbraw/zinc/49/48/41/712494841.db2.gz ZTEYAXBDMGRWAP-UHFFFAOYSA-N 2 1 221.348 2.033 10 0 BEAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CC[C@@H]3C[C@H]3C3CC3)C[C@H]12 ZINC000714918444 712500014 /nfs/dbraw/zinc/50/00/14/712500014.db2.gz CXNHTQZAIQPZMN-CAEXGNQWSA-N 2 1 234.387 2.092 10 0 BEAEMP [NH3+][C@H]1C[C@@H](CNc2[nH+]ccc3ccccc32)C1 ZINC000715067337 712505536 /nfs/dbraw/zinc/50/55/36/712505536.db2.gz NWLIJPCNWLQKMN-KLPPZKSPSA-N 2 1 227.311 2.384 10 0 BEAEMP CC[C@@H]1CCC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000037478634 712647712 /nfs/dbraw/zinc/64/77/12/712647712.db2.gz YSDMFQMZNNZPHB-GFCCVEGCSA-N 2 1 210.365 2.251 10 0 BEAEMP CC(C)[N@H+]1CC[C@@H](CNc2cc[nH+]cc2)C1 ZINC000040624142 1171147828 /nfs/dbraw/zinc/14/78/28/1171147828.db2.gz LULGXHHEFHRZCP-LBPRGKRZSA-N 2 1 219.332 2.224 10 0 BEAEMP CC[N@H+]1CC[C@@H]([NH3+])[C@]12CCCC(C)(C)C2 ZINC000685953529 538897908 /nfs/dbraw/zinc/89/79/08/538897908.db2.gz IGFFGXGJIJTBKY-DGCLKSJQSA-N 2 1 210.365 2.378 10 0 BEAEMP CC[N@H+]1CC[C@H]([NH3+])[C@]12C[C@@H](C)CC[C@H]2C ZINC000685954102 538898941 /nfs/dbraw/zinc/89/89/41/538898941.db2.gz LASOZELEFIPBGQ-QNWHQSFQSA-N 2 1 210.365 2.234 10 0 BEAEMP CCC1CCC2(CC1)[C@@H]([NH3+])CC[N@H+]2CC ZINC000685955366 538900510 /nfs/dbraw/zinc/90/05/10/538900510.db2.gz YLFRVGKAOOKGHD-CPCZMJQVSA-N 2 1 210.365 2.378 10 0 BEAEMP CCC[N@H+]1CC[C@H]([NH3+])C12CCC(C)CC2 ZINC000685955133 538900827 /nfs/dbraw/zinc/90/08/27/538900827.db2.gz UGTHRFWKICWCAP-CPCZMJQVSA-N 2 1 210.365 2.378 10 0 BEAEMP CC(C)[N@H+]1CC[C@H]([NH3+])[C@@]12CCCC[C@@H]2C ZINC000685952778 538896843 /nfs/dbraw/zinc/89/68/43/538896843.db2.gz CUAIQZBKRPFHCF-AVGNSLFASA-N 2 1 210.365 2.377 10 0 BEAEMP CC(C)[N@H+]1CC[C@H]([NH3+])[C@]12CCC[C@@H](C)C2 ZINC000685953113 538897122 /nfs/dbraw/zinc/89/71/22/538897122.db2.gz GEOJHZJSLOOTFB-FRRDWIJNSA-N 2 1 210.365 2.377 10 0 BEAEMP C[C@]1([NH3+])C[NH2+]C[C@H]1c1ccc(C(F)F)cc1 ZINC000685965355 538911677 /nfs/dbraw/zinc/91/16/77/538911677.db2.gz AYTDJQLWARFBMB-JQWIXIFHSA-N 2 1 226.270 2.028 10 0 BEAEMP CC(C)c1cccc([C@@H]2C[NH2+]C[C@@]2(C)[NH3+])c1 ZINC000685965365 538911709 /nfs/dbraw/zinc/91/17/09/538911709.db2.gz BDRAOLJIMOXIGA-UONOGXRCSA-N 2 1 218.344 2.214 10 0 BEAEMP CCCc1cccc([C@@H]2C[NH2+]C[C@]2(C)[NH3+])c1 ZINC000685965609 538911821 /nfs/dbraw/zinc/91/18/21/538911821.db2.gz LDPYQMUJUQIXJD-KBPBESRZSA-N 2 1 218.344 2.043 10 0 BEAEMP CCCc1ccc([C@@H]2C[NH2+]C[C@@]2(C)[NH3+])cc1 ZINC000685965360 538911869 /nfs/dbraw/zinc/91/18/69/538911869.db2.gz BALJASYZGZYNFY-UONOGXRCSA-N 2 1 218.344 2.043 10 0 BEAEMP C[C@@]1([NH3+])C[NH2+]C[C@@H]1c1ccc(C(F)F)cc1 ZINC000685965357 538912072 /nfs/dbraw/zinc/91/20/72/538912072.db2.gz AYTDJQLWARFBMB-ZYHUDNBSSA-N 2 1 226.270 2.028 10 0 BEAEMP Cc1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)c(C)n1C ZINC000052790507 178025204 /nfs/dbraw/zinc/02/52/04/178025204.db2.gz CXMHYJKFWPBBKK-CQSZACIVSA-N 2 1 249.402 2.073 10 0 BEAEMP CC1(C)CC[C@H]([NH3+])C[N@@H+]1Cc1ccccc1 ZINC000258883213 349519303 /nfs/dbraw/zinc/51/93/03/349519303.db2.gz SWLVJRPGACPDIT-ZDUSSCGKSA-N 2 1 218.344 2.388 10 0 BEAEMP CC1(C)CC[C@H]([NH3+])C[N@H+]1Cc1ccccc1 ZINC000258883213 349519305 /nfs/dbraw/zinc/51/93/05/349519305.db2.gz SWLVJRPGACPDIT-ZDUSSCGKSA-N 2 1 218.344 2.388 10 0 BEAEMP Cc1cc([C@H](C)[NH+]2CCC([NH3+])CC2)c(C)o1 ZINC000020521412 178244257 /nfs/dbraw/zinc/24/42/57/178244257.db2.gz UMVACWDYYCYWOB-JTQLQIEISA-N 2 1 222.332 2.381 10 0 BEAEMP C[C@@H]1C[N@@H+](C[C@@H]2CCCCC2(F)F)CC[C@@H]1[NH3+] ZINC000381623643 398267203 /nfs/dbraw/zinc/26/72/03/398267203.db2.gz SUDJKLNVDHTOSJ-WOPDTQHZSA-N 2 1 246.345 2.481 10 0 BEAEMP CCC(CC)N(CCOC)[C@H]1CCCC[C@@H]1[NH3+] ZINC000042616018 168375247 /nfs/dbraw/zinc/37/52/47/168375247.db2.gz WPGVJAISNFLIGV-KBPBESRZSA-N 2 1 242.407 2.393 10 0 BEAEMP CCC(CC)[NH2+]C[C@H](C)[N@H+](C)C1CCOCC1 ZINC000053492101 168388977 /nfs/dbraw/zinc/38/89/77/168388977.db2.gz XTEBQXSEZKATFK-LBPRGKRZSA-N 2 1 242.407 2.264 10 0 BEAEMP CCC(CC)[NH2+]C[C@H](C)[N@@H+](C)C1CCOCC1 ZINC000053492101 168388978 /nfs/dbraw/zinc/38/89/78/168388978.db2.gz XTEBQXSEZKATFK-LBPRGKRZSA-N 2 1 242.407 2.264 10 0 BEAEMP [NH3+][C@@]12C[N@H+](Cc3ccccc3)C[C@H]1CCCC2 ZINC000138218956 342800804 /nfs/dbraw/zinc/80/08/04/342800804.db2.gz YSRKXDRZBDXBAH-CABCVRRESA-N 2 1 230.355 2.390 10 0 BEAEMP [NH3+][C@@]12C[N@@H+](Cc3ccccc3)C[C@H]1CCCC2 ZINC000138218956 342800805 /nfs/dbraw/zinc/80/08/05/342800805.db2.gz YSRKXDRZBDXBAH-CABCVRRESA-N 2 1 230.355 2.390 10 0 BEAEMP COC[C@H](C)C[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000131691559 323013436 /nfs/dbraw/zinc/01/34/36/323013436.db2.gz VEJMSLYHMSGBAR-CYBMUJFWSA-N 2 1 242.407 2.123 10 0 BEAEMP c1cncc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000037916369 398335163 /nfs/dbraw/zinc/33/51/63/398335163.db2.gz VETUIURHQDMZIE-CABCVRRESA-N 2 1 245.370 2.046 10 0 BEAEMP c1cncc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000037916369 398335164 /nfs/dbraw/zinc/33/51/64/398335164.db2.gz VETUIURHQDMZIE-CABCVRRESA-N 2 1 245.370 2.046 10 0 BEAEMP CC(C)CC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000038000169 398335657 /nfs/dbraw/zinc/33/56/57/398335657.db2.gz CHFWAZGVJCVBOG-KGLIPLIRSA-N 2 1 224.392 2.497 10 0 BEAEMP C[C@H]1C[C@@]2(CC[N@@H+]1C)NCCc1ccsc12 ZINC000712553351 537791691 /nfs/dbraw/zinc/79/16/91/537791691.db2.gz RCSQXFGBYHOGMZ-GXFFZTMASA-N 2 1 236.384 2.203 10 0 BEAEMP C[C@H]1C[C@@]2(CC[N@H+]1C)NCCc1ccsc12 ZINC000712553351 537791701 /nfs/dbraw/zinc/79/17/01/537791701.db2.gz RCSQXFGBYHOGMZ-GXFFZTMASA-N 2 1 236.384 2.203 10 0 BEAEMP C[NH2+][C@H](C)CC[N@@H+](C)Cc1ccccc1 ZINC000043816451 344236691 /nfs/dbraw/zinc/23/66/91/344236691.db2.gz KNVLQNQYALCQEX-GFCCVEGCSA-N 2 1 206.333 2.116 10 0 BEAEMP Clc1ccc2c(NC3C[NH2+]C3)cc[nH+]c2c1 ZINC000085256845 344203632 /nfs/dbraw/zinc/20/36/32/344203632.db2.gz RMPGFBYYWLNASI-UHFFFAOYSA-N 2 1 233.702 2.272 10 0 BEAEMP CCC[C@H]1C[C@H]1[NH2+]C1CC[NH+](CC)CC1 ZINC000132289704 344297490 /nfs/dbraw/zinc/29/74/90/344297490.db2.gz CFRBCQNEUVAZNW-WCQYABFASA-N 2 1 210.365 2.249 10 0 BEAEMP CCC[C@@H](C)C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000044534177 344541994 /nfs/dbraw/zinc/54/19/94/344541994.db2.gz CMIZHRJPQDOQCX-OLZOCXBDSA-N 2 1 212.381 2.354 10 0 BEAEMP CC[N@H+]1CC[C@H]([NH3+])C[C@H]1c1ccc(C)cc1 ZINC000675053189 537862257 /nfs/dbraw/zinc/86/22/57/537862257.db2.gz HMGKDBDVSZWNOB-KBPBESRZSA-N 2 1 218.344 2.479 10 0 BEAEMP CC[N@H+]1CC[C@@H]([NH3+])C[C@@H]1c1ccc(C)cc1 ZINC000675053199 537863403 /nfs/dbraw/zinc/86/34/03/537863403.db2.gz HMGKDBDVSZWNOB-ZIAGYGMSSA-N 2 1 218.344 2.479 10 0 BEAEMP C[C@@H](c1ccco1)[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000247964684 344992641 /nfs/dbraw/zinc/99/26/41/344992641.db2.gz GVTKPXADRRXCPK-RYUDHWBXSA-N 2 1 222.332 2.272 10 0 BEAEMP C[C@@H](c1ccco1)[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000247964684 344992644 /nfs/dbraw/zinc/99/26/44/344992644.db2.gz GVTKPXADRRXCPK-RYUDHWBXSA-N 2 1 222.332 2.272 10 0 BEAEMP C[C@@H]1C[N@@H+](CC2CCC(C)CC2)C[C@@H]1C[NH3+] ZINC000634998825 345199109 /nfs/dbraw/zinc/19/91/09/345199109.db2.gz LNMBPUFFIDWKEM-HHTDUIENSA-N 2 1 224.392 2.339 10 0 BEAEMP C[C@H]1C[N@@H+](CC2CCC(C)CC2)C[C@@H]1C[NH3+] ZINC000634998826 345199409 /nfs/dbraw/zinc/19/94/09/345199409.db2.gz LNMBPUFFIDWKEM-YIOUJQMASA-N 2 1 224.392 2.339 10 0 BEAEMP Cc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)o1 ZINC000635010951 345212658 /nfs/dbraw/zinc/21/26/58/345212658.db2.gz WTIOIFBRYAAMCN-RYUDHWBXSA-N 2 1 222.332 2.066 10 0 BEAEMP C[NH+](C)C[C@@]12CC[N@@H+](C)[C@@H](Cc3ccccc31)C2 ZINC000095753847 346080529 /nfs/dbraw/zinc/08/05/29/346080529.db2.gz FMVMKSGQUQLJQC-HOCLYGCPSA-N 2 1 244.382 2.136 10 0 BEAEMP Cc1cccc(C[N@H+](C)[C@H](C)CC[NH3+])c1 ZINC000042435695 179068951 /nfs/dbraw/zinc/06/89/51/179068951.db2.gz MNKQHHIXVUUWBW-GFCCVEGCSA-N 2 1 206.333 2.164 10 0 BEAEMP Cc1cccc(C[N@H+]2CC[NH2+]C[C@@H](C)C2)c1 ZINC000049662238 179080588 /nfs/dbraw/zinc/08/05/88/179080588.db2.gz RGPSZQVPGADQMK-CYBMUJFWSA-N 2 1 218.344 2.036 10 0 BEAEMP Cc1cccc(C[N@@H+]2CC[NH2+]C[C@@H](C)C2)c1 ZINC000049662238 179080589 /nfs/dbraw/zinc/08/05/89/179080589.db2.gz RGPSZQVPGADQMK-CYBMUJFWSA-N 2 1 218.344 2.036 10 0 BEAEMP [NH3+]Cc1cc(Cl)cc(C[NH+]2CCC2)c1 ZINC000669379483 537980125 /nfs/dbraw/zinc/98/01/25/537980125.db2.gz DJAPFMGHYXKXHE-UHFFFAOYSA-N 2 1 210.708 2.004 10 0 BEAEMP Cc1cccc(C[NH2+]C[C@@H]2CC[N@H+](C)C2)c1 ZINC000037484593 179092481 /nfs/dbraw/zinc/09/24/81/179092481.db2.gz DSDCVVHUHWCSTF-AWEZNQCLSA-N 2 1 218.344 2.036 10 0 BEAEMP c1[nH+]cn(Cc2ccccc2)c1C1CC[NH2+]CC1 ZINC000217355383 346481818 /nfs/dbraw/zinc/48/18/18/346481818.db2.gz QZZUQRYPGUTXDH-UHFFFAOYSA-N 2 1 241.338 2.398 10 0 BEAEMP [NH3+]C1CC[NH+]([C@@H]2CCc3cc(F)ccc32)CC1 ZINC000162654391 346533727 /nfs/dbraw/zinc/53/37/27/346533727.db2.gz OQNYPPFRGHTFJS-CQSZACIVSA-N 2 1 234.318 2.236 10 0 BEAEMP Cc1ccccc1C[N@@H+](CCC(N)=[NH2+])C1CC1 ZINC000042547946 179271254 /nfs/dbraw/zinc/27/12/54/179271254.db2.gz CFLPNCSWSSMQDT-UHFFFAOYSA-N 2 1 231.343 2.285 10 0 BEAEMP Cc1ccccc1[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1C ZINC000069796298 179332344 /nfs/dbraw/zinc/33/23/44/179332344.db2.gz XTQYAQRPEBMHNQ-OCCSQVGLSA-N 2 1 218.344 2.337 10 0 BEAEMP CC[C@@H]([NH3+])[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000037116222 348020979 /nfs/dbraw/zinc/02/09/79/348020979.db2.gz ASHOEEGDBJWQIN-DGCLKSJQSA-N 2 1 206.333 2.244 10 0 BEAEMP CC[C@@H]([NH3+])[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000037116222 348020980 /nfs/dbraw/zinc/02/09/80/348020980.db2.gz ASHOEEGDBJWQIN-DGCLKSJQSA-N 2 1 206.333 2.244 10 0 BEAEMP Cc1[nH+]ccn1[C@H](c1ccccc1C)[C@H](C)[NH3+] ZINC000043037737 179347531 /nfs/dbraw/zinc/34/75/31/179347531.db2.gz FAKCYUYFGZZVQF-FZMZJTMJSA-N 2 1 229.327 2.437 10 0 BEAEMP C[C@@H]1C[C@@H](C)[NH2+][C@H](C[NH+]2CCCCC2)C1 ZINC000669381791 537998349 /nfs/dbraw/zinc/99/83/49/537998349.db2.gz VLCSIZYULOYTOY-UPJWGTAASA-N 2 1 210.365 2.249 10 0 BEAEMP Cc1ccsc1[C@@H]([C@@H](C)[NH3+])n1cc[nH+]c1C ZINC000043249112 179554061 /nfs/dbraw/zinc/55/40/61/179554061.db2.gz JEDSPOTXTWBMMA-MWLCHTKSSA-N 2 1 235.356 2.498 10 0 BEAEMP Cc1ncccc1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250896928 180228577 /nfs/dbraw/zinc/22/85/77/180228577.db2.gz WWMSYRVMYFQVHR-STQMWFEESA-N 2 1 231.343 2.429 10 0 BEAEMP Cc1[nH+]ccn1[C@H](C[NH3+])c1ccccc1Cl ZINC000043053074 180272102 /nfs/dbraw/zinc/27/21/02/180272102.db2.gz BRJVCEVEULDMBA-GFCCVEGCSA-N 2 1 235.718 2.393 10 0 BEAEMP Cc1[nH+]cn([C@@H]([C@H](C)[NH3+])C(C)(C)C)c1C ZINC000051925567 180289978 /nfs/dbraw/zinc/28/99/78/180289978.db2.gz DVYJMLBASGHKHK-KWQFWETISA-N 2 1 209.337 2.434 10 0 BEAEMP Cc1[nH+]cn(CC[C@@H]2CCCC[NH2+]2)c1C ZINC000051927089 180287150 /nfs/dbraw/zinc/28/71/50/180287150.db2.gz IFNDBKBVIOLAOR-LBPRGKRZSA-N 2 1 207.321 2.032 10 0 BEAEMP Nc1ccc([C@@H]2CCCCC[N@@H+]2CC[NH3+])cc1 ZINC000616625631 351094694 /nfs/dbraw/zinc/09/46/94/351094694.db2.gz RJGXJDPXAQECKR-AWEZNQCLSA-N 2 1 233.359 2.145 10 0 BEAEMP Nc1ccc([C@@H]2CCCCC[N@H+]2CC[NH3+])cc1 ZINC000616625631 351094696 /nfs/dbraw/zinc/09/46/96/351094696.db2.gz RJGXJDPXAQECKR-AWEZNQCLSA-N 2 1 233.359 2.145 10 0 BEAEMP COc1ccc([C@H]2CCC[N@H+](CC[NH3+])CC2)cc1 ZINC000616627704 351095558 /nfs/dbraw/zinc/09/55/58/351095558.db2.gz JPKUSMBRMXZAJK-ZDUSSCGKSA-N 2 1 248.370 2.223 10 0 BEAEMP COc1ccc([C@H]2CCC[N@@H+](CC[NH3+])CC2)cc1 ZINC000616627704 351095559 /nfs/dbraw/zinc/09/55/59/351095559.db2.gz JPKUSMBRMXZAJK-ZDUSSCGKSA-N 2 1 248.370 2.223 10 0 BEAEMP CC1(C)CC(C[NH3+])([NH2+]Cc2ccccc2)C1 ZINC000307219304 351619441 /nfs/dbraw/zinc/61/94/41/351619441.db2.gz WFTGEDVFZRKMDE-UHFFFAOYSA-N 2 1 218.344 2.294 10 0 BEAEMP C[C@@H]1CCC[N@H+](C2CCC3(C[C@@H]3[NH3+])CC2)C1 ZINC000725270481 538102120 /nfs/dbraw/zinc/10/21/20/538102120.db2.gz OJXCWMMYSHDLCO-ZIHBUVQPSA-N 2 1 222.376 2.378 10 0 BEAEMP CC(C)[N@H+]1CC[C@H](CNC(=[NH2+])C2CCCC2)C1 ZINC000062991785 187784273 /nfs/dbraw/zinc/78/42/73/187784273.db2.gz MITSNECBAHGSLK-GFCCVEGCSA-N 2 1 237.391 2.474 10 0 BEAEMP CCc1[nH+]ccn1-c1ccc(F)cc1C[NH3+] ZINC000042420061 188119657 /nfs/dbraw/zinc/11/96/57/188119657.db2.gz PPKRUSGHKGEHLU-UHFFFAOYSA-N 2 1 219.263 2.033 10 0 BEAEMP C[NH2+][C@@H]1CC[N@H+](CCOc2ccccc2)[C@@H](C)C1 ZINC000042896805 188121769 /nfs/dbraw/zinc/12/17/69/188121769.db2.gz UGGMXZZZNPZZQU-UONOGXRCSA-N 2 1 248.370 2.138 10 0 BEAEMP C[NH2+][C@@H]1CC[N@@H+](CCOc2ccccc2)[C@@H](C)C1 ZINC000042896805 188121771 /nfs/dbraw/zinc/12/17/71/188121771.db2.gz UGGMXZZZNPZZQU-UONOGXRCSA-N 2 1 248.370 2.138 10 0 BEAEMP COc1ccc(C[N@H+]2CCC[NH2+]C[C@@H](C)C2)cc1 ZINC000049663514 188125565 /nfs/dbraw/zinc/12/55/65/188125565.db2.gz LKGSWJAYJDZRHC-CYBMUJFWSA-N 2 1 248.370 2.127 10 0 BEAEMP C[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H]2C)c1 ZINC000052375658 188126387 /nfs/dbraw/zinc/12/63/87/188126387.db2.gz VFMKKJRRUZQFHH-LBPRGKRZSA-N 2 1 218.344 2.390 10 0 BEAEMP CC(C)[N@@H+](C)Cc1cc(C[NH3+])ccc1F ZINC000019282575 188172257 /nfs/dbraw/zinc/17/22/57/188172257.db2.gz OEKJAICWBYUIGE-UHFFFAOYSA-N 2 1 210.296 2.125 10 0 BEAEMP Cc1ccc([C@H]2C[C@H]([NH3+])CC[N@H+]2C)cc1F ZINC000675055458 538475914 /nfs/dbraw/zinc/47/59/14/538475914.db2.gz STKLGMBJIWJYFK-DGCLKSJQSA-N 2 1 222.307 2.228 10 0 BEAEMP Cc1ccc([C@H]2C[C@H]([NH3+])CC[N@@H+]2C)cc1F ZINC000675055458 538475918 /nfs/dbraw/zinc/47/59/18/538475918.db2.gz STKLGMBJIWJYFK-DGCLKSJQSA-N 2 1 222.307 2.228 10 0 BEAEMP CC[N@@H+]1CC[C@H]([NH3+])C[C@H]1c1ccc(F)cc1 ZINC000675055733 538476577 /nfs/dbraw/zinc/47/65/77/538476577.db2.gz XCRZSIVFQRADFW-STQMWFEESA-N 2 1 222.307 2.310 10 0 BEAEMP CC[N@H+]1CC[C@H]([NH3+])C[C@H]1c1ccc(F)cc1 ZINC000675055733 538476581 /nfs/dbraw/zinc/47/65/81/538476581.db2.gz XCRZSIVFQRADFW-STQMWFEESA-N 2 1 222.307 2.310 10 0 BEAEMP CC(C)CC[NH2+]CC[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000126581041 538533588 /nfs/dbraw/zinc/53/35/88/538533588.db2.gz QESKYQWFYFAFKQ-OKILXGFUSA-N 2 1 224.392 2.354 10 0 BEAEMP CC(C)CC[NH2+]CC[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000126581041 538533595 /nfs/dbraw/zinc/53/35/95/538533595.db2.gz QESKYQWFYFAFKQ-OKILXGFUSA-N 2 1 224.392 2.354 10 0 BEAEMP C[C@@H]1C[C@H](C)C[N@@H+](C2[C@H](C)C[NH2+]C[C@H]2C)C1 ZINC000685951095 538894601 /nfs/dbraw/zinc/89/46/01/538894601.db2.gz MSDXRQCKWQTYTQ-YVECIDJPSA-N 2 1 224.392 2.208 10 0 BEAEMP CCCC[N@@H+](CC)C1[C@H](C)C[NH2+]C[C@H]1C ZINC000685950910 538894779 /nfs/dbraw/zinc/89/47/79/538894779.db2.gz HRYQCAYBSJOKAP-VXGBXAGGSA-N 2 1 212.381 2.352 10 0 BEAEMP CCC[N@@H+](C(C)C)[C@H]1[C@H](C)C[NH2+]C[C@@H]1C ZINC000685950983 538894839 /nfs/dbraw/zinc/89/48/39/538894839.db2.gz KPHRFJLPWKCAEX-ITGUQSILSA-N 2 1 212.381 2.351 10 0 BEAEMP C[C@H](c1ccccc1)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193600404 358434383 /nfs/dbraw/zinc/43/43/83/358434383.db2.gz XXQYPRWOZKUAMD-YUELXQCFSA-N 2 1 230.355 2.241 10 0 BEAEMP C[C@H](c1ccccc1)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193600404 358434387 /nfs/dbraw/zinc/43/43/87/358434387.db2.gz XXQYPRWOZKUAMD-YUELXQCFSA-N 2 1 230.355 2.241 10 0 BEAEMP C[C@H](c1ccccc1)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193600404 358434392 /nfs/dbraw/zinc/43/43/92/358434392.db2.gz XXQYPRWOZKUAMD-YUELXQCFSA-N 2 1 230.355 2.241 10 0 BEAEMP C[C@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)[C@@H]1CCCO1 ZINC000052205534 358776324 /nfs/dbraw/zinc/77/63/24/358776324.db2.gz YDIKTWLMHKGHRG-IHRRRGAJSA-N 2 1 240.391 2.018 10 0 BEAEMP CC[N@H+](Cc1ccccc1)C[C@@H](C[NH3+])C1CC1 ZINC000306586109 360485265 /nfs/dbraw/zinc/48/52/65/360485265.db2.gz RBYYIMDEBHOZKI-OAHLLOKOSA-N 2 1 232.371 2.493 10 0 BEAEMP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOc1ccccc1 ZINC000042287873 181344912 /nfs/dbraw/zinc/34/49/12/181344912.db2.gz SKSGSZYRUJSEMC-AGUYFDCRSA-N 2 1 246.354 2.020 10 0 BEAEMP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(F)cc1 ZINC000040749247 181345451 /nfs/dbraw/zinc/34/54/51/181345451.db2.gz HHQJTWJHSORCAT-AGUYFDCRSA-N 2 1 234.318 2.280 10 0 BEAEMP CCC(C)(C)CC[N@H+]1C[C@H](OC)C[C@@]1(C)C[NH3+] ZINC000630357199 364078977 /nfs/dbraw/zinc/07/89/77/364078977.db2.gz COTQNSZZEDMAQW-OCCSQVGLSA-N 2 1 242.407 2.251 10 0 BEAEMP CO[C@H]1C[N@@H+](CCC2CCCC2)[C@](C)(C[NH3+])C1 ZINC000630363758 364080543 /nfs/dbraw/zinc/08/05/43/364080543.db2.gz ZIOILAOVMCNSPB-KGLIPLIRSA-N 2 1 240.391 2.005 10 0 BEAEMP CCOc1ccccc1[C@H]([NH3+])CC[NH2+]C(C)C ZINC000725263477 541336538 /nfs/dbraw/zinc/33/65/38/541336538.db2.gz IJXCCBFOOWVNKN-CYBMUJFWSA-N 2 1 236.359 2.473 10 0 BEAEMP Cc1ccc([C@@H]2C[C@H]([NH3+])CC[N@@H+]2C)cc1 ZINC000074204366 541344385 /nfs/dbraw/zinc/34/43/85/541344385.db2.gz YVHHPBHDNOEETG-OLZOCXBDSA-N 2 1 204.317 2.089 10 0 BEAEMP CCc1cc(N[C@H]2CC[C@H](C[NH3+])CC2)nc(C)[nH+]1 ZINC000630556863 364257456 /nfs/dbraw/zinc/25/74/56/364257456.db2.gz LOJVARKPYRJQCV-AULYBMBSSA-N 2 1 248.374 2.277 10 0 BEAEMP [NH3+]CCC[C@@H]1CCC[N@H+]1CCOc1ccccc1 ZINC000104320890 181386058 /nfs/dbraw/zinc/38/60/58/181386058.db2.gz RFLOPGXKGMCSMP-CQSZACIVSA-N 2 1 248.370 2.269 10 0 BEAEMP [NH3+]CC[NH2+]CCc1ccc(Cl)c(Cl)c1 ZINC000022924839 181396842 /nfs/dbraw/zinc/39/68/42/181396842.db2.gz ODVXDOIVSLSBSO-UHFFFAOYSA-N 2 1 233.142 2.084 10 0 BEAEMP CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386173637 367923862 /nfs/dbraw/zinc/92/38/62/367923862.db2.gz WUQZWJZLGABMMU-RNJOBUHISA-N 2 1 210.365 2.295 10 0 BEAEMP [NH3+]C[C@H]1[C@@H]2C[N@H+](Cc3ccccc3)CCC[C@@H]12 ZINC000083072568 181440109 /nfs/dbraw/zinc/44/01/09/181440109.db2.gz CRIVWPDSORCWPD-RRFJBIMHSA-N 2 1 230.355 2.103 10 0 BEAEMP C[C@H]1C[N@@H+](CCC(C)(C)C2CC2)C[C@H]1C[NH3+] ZINC000631838045 369114612 /nfs/dbraw/zinc/11/46/12/369114612.db2.gz YVLYQWMHUAAIBZ-NWDGAFQWSA-N 2 1 224.392 2.339 10 0 BEAEMP Cc1ccc(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)cc1F ZINC000631837508 372627168 /nfs/dbraw/zinc/62/71/68/372627168.db2.gz SYSAUBMJBJPESZ-YPMHNXCESA-N 2 1 236.334 2.161 10 0 BEAEMP C[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCC3)C[C@@H]1C[NH3+] ZINC000631837296 372627717 /nfs/dbraw/zinc/62/77/17/372627717.db2.gz ADCWMLSDGJHGNN-WBMJQRKESA-N 2 1 244.382 2.202 10 0 BEAEMP C[C@@H](C[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1)C(C)(C)C ZINC000631837061 372627942 /nfs/dbraw/zinc/62/79/42/372627942.db2.gz MJDFPDORDOBHLL-WOPDTQHZSA-N 2 1 212.381 2.195 10 0 BEAEMP C[C@H]1C[N@H+](Cc2ccc(Cl)s2)C[C@@H]1C[NH3+] ZINC000631838650 372633463 /nfs/dbraw/zinc/63/34/63/372633463.db2.gz SIDFNTBIXUPLCG-IUCAKERBSA-N 2 1 244.791 2.428 10 0 BEAEMP C[C@H]1C[N@@H+](Cc2ccc(Cl)s2)C[C@@H]1C[NH3+] ZINC000631838650 372633468 /nfs/dbraw/zinc/63/34/68/372633468.db2.gz SIDFNTBIXUPLCG-IUCAKERBSA-N 2 1 244.791 2.428 10 0 BEAEMP COc1cccc([C@H](C)[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000631840136 372636624 /nfs/dbraw/zinc/63/66/24/372636624.db2.gz PWIAYWFXDQKFHQ-SGMGOOAPSA-N 2 1 248.370 2.283 10 0 BEAEMP C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2)C[C@@H]1C[NH3+] ZINC000631844063 372643301 /nfs/dbraw/zinc/64/33/01/372643301.db2.gz UYGQQEXXWVPTRX-PWSUYJOCSA-N 2 1 238.762 2.367 10 0 BEAEMP CCC[N@@H+](C)C[C@@H]1CC[C@H](C[NH2+]CC(C)C)O1 ZINC000052444589 169079612 /nfs/dbraw/zinc/07/96/12/169079612.db2.gz UMZTWFFETYLYOI-KGLIPLIRSA-N 2 1 242.407 2.121 10 0 BEAEMP CCC[N@@H+](CCC[NH3+])Cc1cccc(OC)c1 ZINC000036731882 169155296 /nfs/dbraw/zinc/15/52/96/169155296.db2.gz ZPQJJJJPMRLNIE-UHFFFAOYSA-N 2 1 236.359 2.256 10 0 BEAEMP CCC[N@@H+](CCC[NH3+])CCOc1ccccc1 ZINC000044421437 169155972 /nfs/dbraw/zinc/15/59/72/169155972.db2.gz WEOUCNLCXVOGPM-UHFFFAOYSA-N 2 1 236.359 2.126 10 0 BEAEMP CCC[N@@H+]1CCc2nc([C@@H]([NH3+])CC)sc2C1 ZINC000041059231 169208980 /nfs/dbraw/zinc/20/89/80/169208980.db2.gz PZRXRJIIIICFPN-VIFPVBQESA-N 2 1 239.388 2.321 10 0 BEAEMP CCC[N@H+]1CCc2nc([C@@H]([NH3+])CC)sc2C1 ZINC000041059231 169208981 /nfs/dbraw/zinc/20/89/81/169208981.db2.gz PZRXRJIIIICFPN-VIFPVBQESA-N 2 1 239.388 2.321 10 0 BEAEMP CCC[N@H+]1CC[C@H]([NH2+]CC(C)C)[C@H](C)C1 ZINC000073654041 169209025 /nfs/dbraw/zinc/20/90/25/169209025.db2.gz RRNQJHWAOWCJDL-OLZOCXBDSA-N 2 1 212.381 2.352 10 0 BEAEMP CCC[NH2+]C1CC[NH+]([C@@H](C)[C@@H]2CCCO2)CC1 ZINC000035735963 169256066 /nfs/dbraw/zinc/25/60/66/169256066.db2.gz GPQKCPPKVJHLAN-JSGCOSHPSA-N 2 1 240.391 2.018 10 0 BEAEMP CCC[NH2+]CC[C@H](C)[N@@H+](C)C[C@@H]1CCCCO1 ZINC000052507781 169261485 /nfs/dbraw/zinc/26/14/85/169261485.db2.gz XBOKAPDHVGVOTM-KBPBESRZSA-N 2 1 242.407 2.266 10 0 BEAEMP CCC[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(C)o2)C1 ZINC000053038800 169262114 /nfs/dbraw/zinc/26/21/14/169262114.db2.gz SWFMYKOFAFGCPW-ZDUSSCGKSA-N 2 1 236.359 2.410 10 0 BEAEMP CCC[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(C)o2)C1 ZINC000053038800 169262116 /nfs/dbraw/zinc/26/21/16/169262116.db2.gz SWFMYKOFAFGCPW-ZDUSSCGKSA-N 2 1 236.359 2.410 10 0 BEAEMP CCC[NH2+][C@H](C)[C@@H](C)[N@H+](C)C[C@@H]1CCCOC1 ZINC000104198526 169286061 /nfs/dbraw/zinc/28/60/61/169286061.db2.gz PSFWFCHPLKBDBW-MCIONIFRSA-N 2 1 242.407 2.121 10 0 BEAEMP CCC[NH2+][C@H](C)[C@@H](C)[N@@H+](C)C[C@@H]1CCCOC1 ZINC000104198526 169286063 /nfs/dbraw/zinc/28/60/63/169286063.db2.gz PSFWFCHPLKBDBW-MCIONIFRSA-N 2 1 242.407 2.121 10 0 BEAEMP CCC[NH2+]C[C@H](C)C[N@H+]1CCC[C@H](OCC)C1 ZINC000052372110 169263231 /nfs/dbraw/zinc/26/32/31/169263231.db2.gz QLHANYTZKIJAAO-KBPBESRZSA-N 2 1 242.407 2.123 10 0 BEAEMP CCC[NH2+]C[C@@](C)(CC)C[N@H+]1CCCOCC1 ZINC000061934543 169263361 /nfs/dbraw/zinc/26/33/61/169263361.db2.gz LTGJERVIBKQIBD-CQSZACIVSA-N 2 1 242.407 2.125 10 0 BEAEMP CCC[NH2+]C[C@H](C)[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000052545280 169263806 /nfs/dbraw/zinc/26/38/06/169263806.db2.gz IQSYXARSXCZJCU-STQMWFEESA-N 2 1 242.407 2.121 10 0 BEAEMP CCC[NH2+]C[C@H](C)[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000052545280 169263808 /nfs/dbraw/zinc/26/38/08/169263808.db2.gz IQSYXARSXCZJCU-STQMWFEESA-N 2 1 242.407 2.121 10 0 BEAEMP CCC[NH2+]C[C@](C)(CC)C[N@H+]1CCCOCC1 ZINC000061934544 169264479 /nfs/dbraw/zinc/26/44/79/169264479.db2.gz LTGJERVIBKQIBD-AWEZNQCLSA-N 2 1 242.407 2.125 10 0 BEAEMP c1ccc(C[N@H+]2CCC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000076677792 183399886 /nfs/dbraw/zinc/39/98/86/183399886.db2.gz BUXOLSLXVAQEEE-CABCVRRESA-N 2 1 230.355 2.261 10 0 BEAEMP CCCO[C@@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]2)C1 ZINC000042425486 169311441 /nfs/dbraw/zinc/31/14/41/169311441.db2.gz BAPMSDCUGAZLJJ-UONOGXRCSA-N 2 1 240.391 2.020 10 0 BEAEMP CCCO[C@H]1CCC[N@@H+](CCCCCC[NH3+])C1 ZINC000042425475 169311577 /nfs/dbraw/zinc/31/15/77/169311577.db2.gz BKACYBAQSDQLJC-AWEZNQCLSA-N 2 1 242.407 2.397 10 0 BEAEMP CCCO[C@@H]1CCC[N@H+]([C@@H](C)CCC[NH2+]C)C1 ZINC000052371619 169311845 /nfs/dbraw/zinc/31/18/45/169311845.db2.gz LELHJQVBYYIXQO-UONOGXRCSA-N 2 1 242.407 2.266 10 0 BEAEMP CCCO[C@H]1CCC[N@@H+]([C@@](C)(C[NH3+])CCC)C1 ZINC000042421355 169313027 /nfs/dbraw/zinc/31/30/27/169313027.db2.gz JIRSZZXUMLJSAT-UONOGXRCSA-N 2 1 242.407 2.395 10 0 BEAEMP CCCO[C@H]1CCC[N@H+]([C@@](C)(C[NH3+])CCC)C1 ZINC000042421355 169313028 /nfs/dbraw/zinc/31/30/28/169313028.db2.gz JIRSZZXUMLJSAT-UONOGXRCSA-N 2 1 242.407 2.395 10 0 BEAEMP CCC[NH2+][C@H]1CC[N@@H+](CC(C)C)[C@H](C)C1 ZINC000049709036 169291843 /nfs/dbraw/zinc/29/18/43/169291843.db2.gz ZVUSKHBWKOLQFT-OLZOCXBDSA-N 2 1 212.381 2.495 10 0 BEAEMP CCCOc1ccccc1C[NH2+]CCC[NH2+]C ZINC000020967285 169326568 /nfs/dbraw/zinc/32/65/68/169326568.db2.gz AQSMYDZDRNCHJG-UHFFFAOYSA-N 2 1 236.359 2.175 10 0 BEAEMP CCC[C@@H](C)[N@@H+](C)CC1(C[NH2+]C)CCOCC1 ZINC000052181902 169364340 /nfs/dbraw/zinc/36/43/40/169364340.db2.gz IOSADKUPLYILSZ-CYBMUJFWSA-N 2 1 242.407 2.123 10 0 BEAEMP CCC[C@@H](C)C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000037485303 169359655 /nfs/dbraw/zinc/35/96/55/169359655.db2.gz BXPNRSGGPVBGPE-CHWSQXEVSA-N 2 1 224.392 2.497 10 0 BEAEMP C[C@H]1[C@@H](C)[N@H+](Cc2ccccc2)CC[C@@H]1[NH3+] ZINC000068592798 384003350 /nfs/dbraw/zinc/00/33/50/384003350.db2.gz NWKPWPVTPIKZQR-SCRDCRAPSA-N 2 1 218.344 2.244 10 0 BEAEMP C[C@@H]1[C@@H](C)[C@@H]([NH3+])CC[N@H+]1Cc1ccccc1 ZINC000068592795 384001495 /nfs/dbraw/zinc/00/14/95/384001495.db2.gz NWKPWPVTPIKZQR-BZPMIXESSA-N 2 1 218.344 2.244 10 0 BEAEMP C[C@H]([NH3+])CC[NH2+]Cc1ccsc1Cl ZINC000312742310 384448926 /nfs/dbraw/zinc/44/89/26/384448926.db2.gz HDWMBHOYEPULND-ZETCQYMHSA-N 2 1 218.753 2.228 10 0 BEAEMP CCCC[C@H](C)[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000310018626 384786360 /nfs/dbraw/zinc/78/63/60/384786360.db2.gz MBRBERACOFPLOY-NWDGAFQWSA-N 2 1 221.348 2.366 10 0 BEAEMP C[C@@H]([NH3+])CC[NH2+]Cc1cc(Cl)ccc1F ZINC000258668354 384937598 /nfs/dbraw/zinc/93/75/98/384937598.db2.gz CJGCEBBDAVOTNF-MRVPVSSYSA-N 2 1 230.714 2.306 10 0 BEAEMP CC[NH+](CC)[C@@H](C)C[NH2+]C1CCSCC1 ZINC000128235861 384937873 /nfs/dbraw/zinc/93/78/73/384937873.db2.gz WMGMNJGBMOMAJK-NSHDSACASA-N 2 1 230.421 2.202 10 0 BEAEMP C[NH+](C)[C@H](C[NH2+][C@H]1CCC1(C)C)C1CC1 ZINC000309034181 385380508 /nfs/dbraw/zinc/38/05/08/385380508.db2.gz HBEKXRABYDSUKS-NEPJUHHUSA-N 2 1 210.365 2.105 10 0 BEAEMP C[C@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)C(C)(C)C ZINC000309590593 385720358 /nfs/dbraw/zinc/72/03/58/385720358.db2.gz UQGVLJGMZVYRLK-QWRGUYRKSA-N 2 1 221.348 2.222 10 0 BEAEMP C[NH+]1CCC([NH2+][C@H]2CCC[C@H]2CCF)CC1 ZINC000336771301 386034365 /nfs/dbraw/zinc/03/43/65/386034365.db2.gz ULEZIZFQPPZNCD-AAEUAGOBSA-N 2 1 228.355 2.199 10 0 BEAEMP C[C@H](c1ccccc1F)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000193621542 387858032 /nfs/dbraw/zinc/85/80/32/387858032.db2.gz GICFMGNUNCDREB-UPJWGTAASA-N 2 1 248.345 2.380 10 0 BEAEMP C[C@H](CC[NH2+][C@H]1CC[NH2+]C1)CC(C)(C)C ZINC000423061711 387866785 /nfs/dbraw/zinc/86/67/85/387866785.db2.gz RKFLEJGQVQGVBM-NEPJUHHUSA-N 2 1 212.381 2.400 10 0 BEAEMP C[C@H](CCC1CC1)[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000398161380 388518434 /nfs/dbraw/zinc/51/84/34/388518434.db2.gz IGIRFHSTGMGVRR-NTZNESFSSA-N 2 1 210.365 2.295 10 0 BEAEMP C[C@H](CCC1CC1)[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000398161383 388518673 /nfs/dbraw/zinc/51/86/73/388518673.db2.gz IGIRFHSTGMGVRR-WZRBSPASSA-N 2 1 210.365 2.295 10 0 BEAEMP [NH3+][C@H]1CCN(c2ccc([NH+]3CCCCC3)cc2)C1 ZINC000057955967 132367447 /nfs/dbraw/zinc/36/74/47/132367447.db2.gz JXHARFPPZDVSFH-ZDUSSCGKSA-N 2 1 245.370 2.214 10 0 BEAEMP CC[NH+](CC)c1ccc(N2CC[NH2+]C[C@@H]2C)cc1 ZINC000058449488 132368178 /nfs/dbraw/zinc/36/81/78/132368178.db2.gz UFIAUWUETWGZQZ-ZDUSSCGKSA-N 2 1 247.386 2.331 10 0 BEAEMP Cc1cc([NH+]2CCC(C[NH+](C)C)CC2)ccc1N ZINC000058945857 132368554 /nfs/dbraw/zinc/36/85/54/132368554.db2.gz CNCLSQOVRZZBID-UHFFFAOYSA-N 2 1 247.386 2.355 10 0 BEAEMP C[C@@H]1CCC[C@@H]([N@@H+](C)C[C@@]2(C)CC[NH2+]C2)C1 ZINC000219860605 134292422 /nfs/dbraw/zinc/29/24/22/134292422.db2.gz OIVQKZLRNVMPBW-MCIONIFRSA-N 2 1 224.392 2.497 10 0 BEAEMP C[C@H]([NH2+][C@H]1CC[C@@H]([NH+](C)C)C1)c1cncs1 ZINC000222743992 134334217 /nfs/dbraw/zinc/33/42/17/134334217.db2.gz URXAHBONSDMDCU-GARJFASQSA-N 2 1 239.388 2.276 10 0 BEAEMP CCC[C@@H]1C[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000252728710 135102260 /nfs/dbraw/zinc/10/22/60/135102260.db2.gz CKUZDPSZJNLYIS-RQJABVFESA-N 2 1 222.376 2.391 10 0 BEAEMP CC1(C)C[N@H+](Cc2cccc(F)c2)CC[C@@H]1[NH3+] ZINC000258643297 135132568 /nfs/dbraw/zinc/13/25/68/135132568.db2.gz DBFIAQYOCSFKNZ-ZDUSSCGKSA-N 2 1 236.334 2.385 10 0 BEAEMP CC1(C)C[N@@H+](Cc2cccc(F)c2)CC[C@@H]1[NH3+] ZINC000258643297 135132570 /nfs/dbraw/zinc/13/25/70/135132570.db2.gz DBFIAQYOCSFKNZ-ZDUSSCGKSA-N 2 1 236.334 2.385 10 0 BEAEMP CC1(C)C[N@@H+](CCc2ccccc2)CC[C@H]1[NH3+] ZINC000259383214 135142462 /nfs/dbraw/zinc/14/24/62/135142462.db2.gz WHWSWGVRLHWJSG-CQSZACIVSA-N 2 1 232.371 2.288 10 0 BEAEMP C[C@@H](c1ccccn1)[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261542716 135183402 /nfs/dbraw/zinc/18/34/02/135183402.db2.gz CJTHWMPULDOHPD-AAEUAGOBSA-N 2 1 233.359 2.202 10 0 BEAEMP C[C@@H](c1ccccn1)[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261542716 135183404 /nfs/dbraw/zinc/18/34/04/135183404.db2.gz CJTHWMPULDOHPD-AAEUAGOBSA-N 2 1 233.359 2.202 10 0 BEAEMP C[C@@H](c1cccnc1)[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261567047 135209672 /nfs/dbraw/zinc/20/96/72/135209672.db2.gz ZLBSUPRUOSSGTN-WCQYABFASA-N 2 1 233.359 2.202 10 0 BEAEMP C[C@@H](c1cccnc1)[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261567047 135209674 /nfs/dbraw/zinc/20/96/74/135209674.db2.gz ZLBSUPRUOSSGTN-WCQYABFASA-N 2 1 233.359 2.202 10 0 BEAEMP [NH3+]C[C@@H]1CC[N@@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000381700614 397802425 /nfs/dbraw/zinc/80/24/25/397802425.db2.gz OSIAREHDRLOPEC-WDEREUQCSA-N 2 1 232.318 2.093 10 0 BEAEMP CC(C)[NH2+]CC[N@@H+]1CC[C@]2(CC[C@H](C)C2)C1 ZINC000309637117 167107936 /nfs/dbraw/zinc/10/79/36/167107936.db2.gz SYNKHLGBIOLEFL-KBPBESRZSA-N 2 1 224.392 2.497 10 0 BEAEMP CC(C)[NH2+]CC[N@H+]1CC[C@]2(CC[C@H](C)C2)C1 ZINC000309637117 167107940 /nfs/dbraw/zinc/10/79/40/167107940.db2.gz SYNKHLGBIOLEFL-KBPBESRZSA-N 2 1 224.392 2.497 10 0 BEAEMP C[C@H](CCc1ccco1)[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000396591936 410889966 /nfs/dbraw/zinc/88/99/66/410889966.db2.gz UBXOCDAEGVRDNI-MBNYWOFBSA-N 2 1 236.359 2.331 10 0 BEAEMP CC(C)[C@H]([NH2+][C@H]1CCC[NH2+][C@@H]1C)C1CC1 ZINC000396654769 410894409 /nfs/dbraw/zinc/89/44/09/410894409.db2.gz FNPKIMXVFVSYEY-WXHSDQCUSA-N 2 1 210.365 2.151 10 0 BEAEMP CC(C)C[NH2+][C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000073652418 167012563 /nfs/dbraw/zinc/01/25/63/167012563.db2.gz WBCCGIXDLKVBPA-CYBMUJFWSA-N 2 1 212.381 2.352 10 0 BEAEMP CC(C)C[NH2+][C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000073652418 167012566 /nfs/dbraw/zinc/01/25/66/167012566.db2.gz WBCCGIXDLKVBPA-CYBMUJFWSA-N 2 1 212.381 2.352 10 0 BEAEMP CC(C)[NH2+]CC[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000037477336 167104750 /nfs/dbraw/zinc/10/47/50/167104750.db2.gz GRAYTPDGPOMPSD-UONOGXRCSA-N 2 1 224.392 2.497 10 0 BEAEMP CC(C)[NH2+]CC[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000037477336 167104754 /nfs/dbraw/zinc/10/47/54/167104754.db2.gz GRAYTPDGPOMPSD-UONOGXRCSA-N 2 1 224.392 2.497 10 0 BEAEMP CC(C)[NH2+]C[C@@H](C)C[N@@H+](C)CCc1ccncc1 ZINC000052483060 167111580 /nfs/dbraw/zinc/11/15/80/167111580.db2.gz TZULRIMLFLVEKA-CQSZACIVSA-N 2 1 249.402 2.190 10 0 BEAEMP CC[C@@H]1CCCCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000108324150 411144429 /nfs/dbraw/zinc/14/44/29/411144429.db2.gz AAGIJTMNFJZHQX-CHWSQXEVSA-N 2 1 210.365 2.251 10 0 BEAEMP [NH3+]C1(CNc2[nH]c3ccccc3[nH+]2)CCCC1 ZINC000656610215 411308417 /nfs/dbraw/zinc/30/84/17/411308417.db2.gz TXPAIUGPDZJRBM-UHFFFAOYSA-N 2 1 230.315 2.246 10 0 BEAEMP CC[C@@H]([NH2+]C1CC[NH+](C)CC1)C(C)(C)C ZINC000167378298 411340915 /nfs/dbraw/zinc/34/09/15/411340915.db2.gz DUDQRMCEPGMUTO-GFCCVEGCSA-N 2 1 212.381 2.495 10 0 BEAEMP CC[NH2+]CCCCC[N@H+]1CCC[C@@H](OCC)C1 ZINC000052372274 170111803 /nfs/dbraw/zinc/11/18/03/170111803.db2.gz MNTLKBXNZCOZAE-CQSZACIVSA-N 2 1 242.407 2.267 10 0 BEAEMP CC[NH2+]CCCCC[N@@H+](C)C[C@H]1CCCOC1 ZINC000104191486 170111813 /nfs/dbraw/zinc/11/18/13/170111813.db2.gz FLHYCYNJZNMUFH-CQSZACIVSA-N 2 1 242.407 2.125 10 0 BEAEMP CC[NH2+]CC[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000044381093 170113495 /nfs/dbraw/zinc/11/34/95/170113495.db2.gz UFUBHSPJVRCYBR-QWHCGFSZSA-N 2 1 210.365 2.108 10 0 BEAEMP CC[NH2+]CC[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000044381093 170113497 /nfs/dbraw/zinc/11/34/97/170113497.db2.gz UFUBHSPJVRCYBR-QWHCGFSZSA-N 2 1 210.365 2.108 10 0 BEAEMP CC[NH2+]CC[C@H](C)[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000052545470 170116984 /nfs/dbraw/zinc/11/69/84/170116984.db2.gz GIGOUTLMKHMNRI-STQMWFEESA-N 2 1 242.407 2.121 10 0 BEAEMP CC[NH2+]C[C@@](C)(CC)C[N@@H+](C)C1CCOCC1 ZINC000051218324 170120619 /nfs/dbraw/zinc/12/06/19/170120619.db2.gz CEDRBKAEWKCVJX-CQSZACIVSA-N 2 1 242.407 2.123 10 0 BEAEMP CC[NH2+]C[C@@]1(C[N@@H+](C)[C@H](C)CC)CCCOC1 ZINC000104308981 170121151 /nfs/dbraw/zinc/12/11/51/170121151.db2.gz YHNMUBVRELQJDM-ZIAGYGMSSA-N 2 1 242.407 2.123 10 0 BEAEMP CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1[N@H+](C)CCCOC ZINC000062031197 170168500 /nfs/dbraw/zinc/16/85/00/170168500.db2.gz DYNWJXPWLATRHL-RDBSUJKOSA-N 2 1 242.407 2.121 10 0 BEAEMP CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1[N@@H+](C)CCCOC ZINC000062031197 170168501 /nfs/dbraw/zinc/16/85/01/170168501.db2.gz DYNWJXPWLATRHL-RDBSUJKOSA-N 2 1 242.407 2.121 10 0 BEAEMP CCOCCC[N@H+]1CC[C@@H](CC)[NH2+]C[C@@H](C)C1 ZINC000049665160 170374450 /nfs/dbraw/zinc/37/44/50/170374450.db2.gz ZXUCZIOMPLRTAA-ZIAGYGMSSA-N 2 1 242.407 2.123 10 0 BEAEMP CC[C@@H](C)[N@@H+](C)Cc1ccc(F)cc1C(N)=[NH2+] ZINC000071267638 170725909 /nfs/dbraw/zinc/72/59/09/170725909.db2.gz PQKVKCDIFKJNHZ-SECBINFHSA-N 2 1 237.322 2.340 10 0 BEAEMP CC(C)=CCC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000662267121 412057452 /nfs/dbraw/zinc/05/74/52/412057452.db2.gz SDZVVDJHDWFSIV-YNEHKIRRSA-N 2 1 208.349 2.012 10 0 BEAEMP CC(C)=CCC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000662267120 412057602 /nfs/dbraw/zinc/05/76/02/412057602.db2.gz SDZVVDJHDWFSIV-XQQFMLRXSA-N 2 1 208.349 2.012 10 0 BEAEMP CC[C@@H]1CC[N@H+](Cc2ncccc2C)CCC[NH2+]1 ZINC000071345059 171013449 /nfs/dbraw/zinc/01/34/49/171013449.db2.gz JFMSAEAONXFAAE-CQSZACIVSA-N 2 1 247.386 2.354 10 0 BEAEMP CC[C@@H]1CC[N@@H+](Cc2ncccc2C)CCC[NH2+]1 ZINC000071345059 171013451 /nfs/dbraw/zinc/01/34/51/171013451.db2.gz JFMSAEAONXFAAE-CQSZACIVSA-N 2 1 247.386 2.354 10 0 BEAEMP CC[C@@H]1C[N@@H+](CCC[C@@H]2CCCC[NH2+]2)CCO1 ZINC000050952673 171080093 /nfs/dbraw/zinc/08/00/93/171080093.db2.gz HJJVVVDVPHEUIJ-UONOGXRCSA-N 2 1 240.391 2.020 10 0 BEAEMP CC[C@@](C)(C[NH2+]C)C[N@@H+](CCOC)CC(C)C ZINC000051251319 171166514 /nfs/dbraw/zinc/16/65/14/171166514.db2.gz MKTNNOLETAIZLO-AWEZNQCLSA-N 2 1 244.423 2.227 10 0 BEAEMP CC[C@@](C)(C[NH2+]C)C[N@@H+](C)CCc1ccccn1 ZINC000051214515 171167297 /nfs/dbraw/zinc/16/72/97/171167297.db2.gz LNKBZJYGTNMTQC-HNNXBMFYSA-N 2 1 249.402 2.192 10 0 BEAEMP CC[C@H](C)C[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000336743736 171284931 /nfs/dbraw/zinc/28/49/31/171284931.db2.gz UFJGLBIVKYYHCQ-RYUDHWBXSA-N 2 1 221.348 2.081 10 0 BEAEMP CC[C@H](C)C[NH2+]C[C@H]1CCn2cc[nH+]c2C1 ZINC000309611185 171285938 /nfs/dbraw/zinc/28/59/38/171285938.db2.gz AGLSQLBWXGSCFB-RYUDHWBXSA-N 2 1 221.348 2.081 10 0 BEAEMP CC[C@H](C)[N@@H+](C)C[C@@H]1CC[C@H](C[NH2+]C(C)C)O1 ZINC000052444277 171307434 /nfs/dbraw/zinc/30/74/34/171307434.db2.gz KLGGLKRQIKJGIG-MJBXVCDLSA-N 2 1 242.407 2.262 10 0 BEAEMP CC[C@H](C)[C@H](C)[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000360014114 171391518 /nfs/dbraw/zinc/39/15/18/171391518.db2.gz ILBKASAITFPKFN-SRVKXCTJSA-N 2 1 221.348 2.222 10 0 BEAEMP CC(C)[C@H]([NH3+])CCNc1[nH+]c2ccccc2n1C ZINC000663276436 412406375 /nfs/dbraw/zinc/40/63/75/412406375.db2.gz XQLPDHSLULBGQQ-LLVKDONJSA-N 2 1 246.358 2.359 10 0 BEAEMP CCc1[nH+]ccn1[C@@H]([C@H](C)[NH3+])C(C)(C)C ZINC000043295092 172028625 /nfs/dbraw/zinc/02/86/25/172028625.db2.gz SDODAGVXDPROHW-ONGXEEELSA-N 2 1 209.337 2.380 10 0 BEAEMP CCc1[nH+]ccn1[C@H]1CCCCC[C@@H]1[NH3+] ZINC000042419730 172028964 /nfs/dbraw/zinc/02/89/64/172028964.db2.gz WCRCZJINVLDLRI-QWRGUYRKSA-N 2 1 207.321 2.278 10 0 BEAEMP CCc1[nH+]ccn1[C@H](C[NH3+])c1ccccc1F ZINC000043046434 172029289 /nfs/dbraw/zinc/02/92/89/172029289.db2.gz MCEXAJRWZFLWRE-GFCCVEGCSA-N 2 1 233.290 2.133 10 0 BEAEMP CCc1[nH+]ccn1[C@H]1CCCC[C@@H]1C[NH3+] ZINC000042419621 172029482 /nfs/dbraw/zinc/02/94/82/172029482.db2.gz JVWZJRRXJXKBCM-MNOVXSKESA-N 2 1 207.321 2.136 10 0 BEAEMP CCc1[nH+]ccn1[C@@H](c1ccsc1)[C@@H](C)[NH3+] ZINC000043124266 172029946 /nfs/dbraw/zinc/02/99/46/172029946.db2.gz OIZROEMEJNARAH-BXKDBHETSA-N 2 1 235.356 2.444 10 0 BEAEMP C[N@H+]1CCCC[C@@H]1CC[NH2+]C1CCCC1 ZINC000049772945 173005787 /nfs/dbraw/zinc/00/57/87/173005787.db2.gz CLABDDCKXWRCIX-CYBMUJFWSA-N 2 1 210.365 2.393 10 0 BEAEMP C[N@H+]1CCCC[C@H]1CC[NH2+]CC[C@@H]1CCCO1 ZINC000052205759 173007439 /nfs/dbraw/zinc/00/74/39/173007439.db2.gz WEBZJMYVZQPOHN-KBPBESRZSA-N 2 1 240.391 2.020 10 0 BEAEMP C[N@H+]1CCC[C@@H]1CC[NH2+]Cc1ccccc1 ZINC000034017282 173026812 /nfs/dbraw/zinc/02/68/12/173026812.db2.gz BOMGTDONYIEQMW-CQSZACIVSA-N 2 1 218.344 2.261 10 0 BEAEMP C[N@H+]1CCC[C@H]2C[NH+](CCC(C)(F)F)CC[C@@H]21 ZINC000336203761 173058522 /nfs/dbraw/zinc/05/85/22/173058522.db2.gz PGPJLFCSSHKVMW-RYUDHWBXSA-N 2 1 246.345 2.448 10 0 BEAEMP C[NH+]1CCC[C@H]2C[N@H+](CCC(C)(F)F)CC[C@@H]21 ZINC000336203761 173058525 /nfs/dbraw/zinc/05/85/25/173058525.db2.gz PGPJLFCSSHKVMW-RYUDHWBXSA-N 2 1 246.345 2.448 10 0 BEAEMP C[NH+]1CCC[C@H]2C[N@@H+](CCC(C)(F)F)CC[C@@H]21 ZINC000336203761 173058527 /nfs/dbraw/zinc/05/85/27/173058527.db2.gz PGPJLFCSSHKVMW-RYUDHWBXSA-N 2 1 246.345 2.448 10 0 BEAEMP C[N@H+]1CC[C@H](C[NH2+][C@@H]2CCc3ccccc32)C1 ZINC000037646158 173147414 /nfs/dbraw/zinc/14/74/14/173147414.db2.gz PPJNBJFARYDRJT-IUODEOHRSA-N 2 1 230.355 2.215 10 0 BEAEMP C[N@H+]1CC[C@H]([NH3+])[C@@H](Cc2cccc(Cl)c2)C1 ZINC000257624427 173149087 /nfs/dbraw/zinc/14/90/87/173149087.db2.gz BKXPARMUWPCNJD-AAEUAGOBSA-N 2 1 238.762 2.162 10 0 BEAEMP C[NH2+]C1CC[NH+](CCOc2cccc(C)c2)CC1 ZINC000042896828 173323139 /nfs/dbraw/zinc/32/31/39/173323139.db2.gz WTFPIBRNGBNIAR-UHFFFAOYSA-N 2 1 248.370 2.058 10 0 BEAEMP C[NH2+]CC[C@H](C)[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000052373070 173358468 /nfs/dbraw/zinc/35/84/68/173358468.db2.gz GZAMFGQAVQNIBB-ZFWWWQNUSA-N 2 1 232.371 2.474 10 0 BEAEMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(C)o2)C1 ZINC000040591974 173368155 /nfs/dbraw/zinc/36/81/55/173368155.db2.gz ASVMSXSDLKDALN-LBPRGKRZSA-N 2 1 222.332 2.019 10 0 BEAEMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(C)o2)C1 ZINC000040591974 173368157 /nfs/dbraw/zinc/36/81/57/173368157.db2.gz ASVMSXSDLKDALN-LBPRGKRZSA-N 2 1 222.332 2.019 10 0 BEAEMP C[NH2+]C[C@@H]1CC[C@@H](C[N@@H+](C)C2CCCCC2)O1 ZINC000052419382 173370630 /nfs/dbraw/zinc/37/06/30/173370630.db2.gz BTIFZQFVUGWNNT-KBPBESRZSA-N 2 1 240.391 2.018 10 0 BEAEMP C[NH2+]C[C@H]1CC[N@H+]([C@H](C)c2ccsc2)C1 ZINC000061363908 173382289 /nfs/dbraw/zinc/38/22/89/173382289.db2.gz UTGXZZURKAMNBY-GHMZBOCLSA-N 2 1 224.373 2.350 10 0 BEAEMP COCCC[NH2+]C[C@H](C)[N@@H+]1CC[C@@H](C)C[C@H]1C ZINC000053492982 174247221 /nfs/dbraw/zinc/24/72/21/174247221.db2.gz BSPDHXULHMZIIY-MCIONIFRSA-N 2 1 242.407 2.121 10 0 BEAEMP COCCC[NH2+]C[C@H](C)[N@H+]1CC[C@@H](C)C[C@H]1C ZINC000053492982 174247222 /nfs/dbraw/zinc/24/72/22/174247222.db2.gz BSPDHXULHMZIIY-MCIONIFRSA-N 2 1 242.407 2.121 10 0 BEAEMP COCC[N@@H+]([C@H](C)C1CC1)C1CCC([NH3+])CC1 ZINC000055144616 174285618 /nfs/dbraw/zinc/28/56/18/174285618.db2.gz BDFUVXFGRAMSEH-LMWSTFAQSA-N 2 1 240.391 2.003 10 0 BEAEMP COCC[N@@H+](CCC[NH3+])C1CCCCCC1 ZINC000036883488 174291265 /nfs/dbraw/zinc/29/12/65/174291265.db2.gz DMEHDONGKRYVFU-UHFFFAOYSA-N 2 1 228.380 2.006 10 0 BEAEMP COCC[N@H+](C[C@H]([NH3+])C(C)(C)C)[C@@H](C)C1CC1 ZINC000042616199 174297347 /nfs/dbraw/zinc/29/73/47/174297347.db2.gz QHZAAOJWXORWBW-AAEUAGOBSA-N 2 1 242.407 2.107 10 0 BEAEMP COCC[N@@H+](C[C@H]([NH3+])C(C)(C)C)[C@@H](C)C1CC1 ZINC000042616199 174297349 /nfs/dbraw/zinc/29/73/49/174297349.db2.gz QHZAAOJWXORWBW-AAEUAGOBSA-N 2 1 242.407 2.107 10 0 BEAEMP COc1ccc(C)cc1C[N@H+](CCC[NH3+])C1CC1 ZINC000050702686 175075546 /nfs/dbraw/zinc/07/55/46/175075546.db2.gz ZWRCHQGPSJFGRS-UHFFFAOYSA-N 2 1 248.370 2.317 10 0 BEAEMP COc1ccc(C)cc1C[N@@H+](CCC[NH3+])C1CC1 ZINC000050702686 175075548 /nfs/dbraw/zinc/07/55/48/175075548.db2.gz ZWRCHQGPSJFGRS-UHFFFAOYSA-N 2 1 248.370 2.317 10 0 BEAEMP COc1cccc(C[N@H+]2CCC[NH2+]C[C@H](C)C2)c1 ZINC000049666964 175258341 /nfs/dbraw/zinc/25/83/41/175258341.db2.gz RQEGLUNJXBPATE-ZDUSSCGKSA-N 2 1 248.370 2.127 10 0 BEAEMP COc1cccc([C@H](C)[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)c1 ZINC000131456343 175292409 /nfs/dbraw/zinc/29/24/09/175292409.db2.gz MHULZIDFKNLKME-AVGNSLFASA-N 2 1 248.370 2.425 10 0 BEAEMP C[C@H](CC[NH3+])[N@@H+](C)[C@@H](C)c1ccccc1 ZINC000049813582 176020393 /nfs/dbraw/zinc/02/03/93/176020393.db2.gz IBPQXMMTWHMKRY-NEPJUHHUSA-N 2 1 206.333 2.417 10 0 BEAEMP C[C@@H](c1ccccc1)[N@H+]1CC[NH2+]C[C@@H](C)C1 ZINC000049661332 176022339 /nfs/dbraw/zinc/02/23/39/176022339.db2.gz HTXVCTKKWFBJTI-OLZOCXBDSA-N 2 1 218.344 2.289 10 0 BEAEMP C[C@@H](c1ccco1)[NH+]1CCC[NH2+]CCC1 ZINC000049666203 176032574 /nfs/dbraw/zinc/03/25/74/176032574.db2.gz ILXMQZVHHSMZIW-NSHDSACASA-N 2 1 208.305 2.026 10 0 BEAEMP C[C@@H](c1ccco1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000100256829 176032813 /nfs/dbraw/zinc/03/28/13/176032813.db2.gz QIXMJKHXVYDBKK-QWRGUYRKSA-N 2 1 208.305 2.011 10 0 BEAEMP C[C@@H]1CCC[N@H+](Cc2ccoc2C[NH3+])[C@@H]1C ZINC000052373330 176100972 /nfs/dbraw/zinc/10/09/72/176100972.db2.gz YFYSRECPIKLZJG-GHMZBOCLSA-N 2 1 222.332 2.359 10 0 BEAEMP C[C@@H]1CCC[N@@H+](Cc2ccoc2C[NH3+])[C@@H]1C ZINC000052373330 176100974 /nfs/dbraw/zinc/10/09/74/176100974.db2.gz YFYSRECPIKLZJG-GHMZBOCLSA-N 2 1 222.332 2.359 10 0 BEAEMP C[C@@H]1CCC[N@H+]1Cc1ccc(C[NH3+])cc1F ZINC000037910073 176109062 /nfs/dbraw/zinc/10/90/62/176109062.db2.gz CNWRFKAZELTYJW-SNVBAGLBSA-N 2 1 222.307 2.269 10 0 BEAEMP C[C@@H]1CC[NH+](Cc2ccccn2)CC[C@@H](C)[NH2+]1 ZINC000049666520 176175385 /nfs/dbraw/zinc/17/53/85/176175385.db2.gz GGZSFOUYDYQNTR-CHWSQXEVSA-N 2 1 233.359 2.044 10 0 BEAEMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1ccsc1 ZINC000042427465 176224358 /nfs/dbraw/zinc/22/43/58/176224358.db2.gz DPFOMVJJLYPKFN-GHMZBOCLSA-N 2 1 224.373 2.307 10 0 BEAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)C[C@@H]1[NH3+] ZINC000068592715 176305924 /nfs/dbraw/zinc/30/59/24/176305924.db2.gz NJDHZADSNKQAJW-BZPMIXESSA-N 2 1 218.344 2.244 10 0 BEAEMP C[C@H](c1cccs1)[N@H+]1CCC[C@@H]1CN ZINC000095068289 177048447 /nfs/dbraw/zinc/04/84/47/177048447.db2.gz BWCOTXLGXJMJTJ-NXEZZACHSA-N 2 1 210.346 2.232 10 0 BEAEMP C[C@H]1CCCC[N@H+]1CC1(C[NH3+])CCCC1 ZINC000049814817 177075181 /nfs/dbraw/zinc/07/51/81/177075181.db2.gz RWGNRNBNBWXGDD-LBPRGKRZSA-N 2 1 210.365 2.380 10 0 BEAEMP C[C@H]1CCCC[N@H+]1CCC[C@@H]1CCC[NH2+]1 ZINC000052764267 177075768 /nfs/dbraw/zinc/07/57/68/177075768.db2.gz MEBMBLCNLWDAQX-STQMWFEESA-N 2 1 210.365 2.393 10 0 BEAEMP C[C@H]1CCCC[N@H+]1Cc1cccc(C(N)=[NH2+])c1 ZINC000019482635 177077138 /nfs/dbraw/zinc/07/71/38/177077138.db2.gz ZILRBMXBUYMYDY-NSHDSACASA-N 2 1 231.343 2.345 10 0 BEAEMP C[C@H]1CCC[N@@H+](C[C@@H](C[NH3+])c2ccccc2)C1 ZINC000035731289 177099205 /nfs/dbraw/zinc/09/92/05/177099205.db2.gz BKHQVEDNCZWDCA-DZGCQCFKSA-N 2 1 232.371 2.461 10 0 BEAEMP C[C@H]1CCC[N@@H+](C[C@@H]2CCCC[C@@H]2[NH3+])C1 ZINC000058081467 177100493 /nfs/dbraw/zinc/10/04/93/177100493.db2.gz ROEZKSQLMWMKKZ-AVGNSLFASA-N 2 1 210.365 2.236 10 0 BEAEMP C[C@H]1CCC[N@@H+](Cc2cccc(C(N)=[NH2+])c2)C1 ZINC000019479780 177102496 /nfs/dbraw/zinc/10/24/96/177102496.db2.gz JCGWXAHNHDWHOL-NSHDSACASA-N 2 1 231.343 2.203 10 0 BEAEMP C[C@H]1CCC[N@@H+]1[C@@H](CN)c1ccsc1 ZINC000037910452 177111590 /nfs/dbraw/zinc/11/15/90/177111590.db2.gz SDMAHBJAIMFVAY-ONGXEEELSA-N 2 1 210.346 2.232 10 0 BEAEMP C[C@H]1CCC[N@H+]1[C@@H](CN)c1ccsc1 ZINC000037910452 177111592 /nfs/dbraw/zinc/11/15/92/177111592.db2.gz SDMAHBJAIMFVAY-ONGXEEELSA-N 2 1 210.346 2.232 10 0 BEAEMP C[C@H]1CCC[N@H+]1[C@@H](CN)c1ccccc1 ZINC000037910328 177112335 /nfs/dbraw/zinc/11/23/35/177112335.db2.gz KTGLRXNWBQJSFU-AAEUAGOBSA-N 2 1 204.317 2.171 10 0 BEAEMP C[C@H]1CCCN1[C@@H](C[NH3+])c1ccccc1 ZINC000037910328 177112336 /nfs/dbraw/zinc/11/23/36/177112336.db2.gz KTGLRXNWBQJSFU-AAEUAGOBSA-N 2 1 204.317 2.171 10 0 BEAEMP C[C@@H]1C[NH2+][C@@H](C)CC[N@@H+](CC2CCC2)C1 ZINC000044390313 177158101 /nfs/dbraw/zinc/15/81/01/177158101.db2.gz VXONAOUWCMQCJO-NEPJUHHUSA-N 2 1 210.365 2.106 10 0 BEAEMP C[C@@H]1C[NH2+][C@@H](C)CC[N@@H+](CC2CCCC2)C1 ZINC000049666017 177158956 /nfs/dbraw/zinc/15/89/56/177158956.db2.gz DZXQOSJWCUSAPL-OLZOCXBDSA-N 2 1 224.392 2.497 10 0 BEAEMP C[C@H]1CC[N@H+](Cc2cccc(F)c2)CCC[NH2+]1 ZINC000049665697 177166095 /nfs/dbraw/zinc/16/60/95/177166095.db2.gz ZMEFRADJQFEMAU-LBPRGKRZSA-N 2 1 236.334 2.400 10 0 BEAEMP C[C@H]1CC[N@@H+](Cc2cccc(F)c2)CCC[NH2+]1 ZINC000049665697 177166096 /nfs/dbraw/zinc/16/60/96/177166096.db2.gz ZMEFRADJQFEMAU-LBPRGKRZSA-N 2 1 236.334 2.400 10 0 BEAEMP C[C@@H](c1ccccn1)[N@H+]1CC[C@H](C)[NH2+]C[C@@H](C)C1 ZINC000049666680 177169600 /nfs/dbraw/zinc/16/96/00/177169600.db2.gz XINNRMQKLWURFW-RDBSUJKOSA-N 2 1 247.386 2.463 10 0 BEAEMP C[C@@H](c1ccccc1)[N@@H+]1CC[NH2+][C@@H](C)CC1 ZINC000049661339 177169628 /nfs/dbraw/zinc/16/96/28/177169628.db2.gz VKPFDCPOIHVGGD-STQMWFEESA-N 2 1 218.344 2.431 10 0 BEAEMP C[C@@H](c1ccccc1)[N@H+]1CC[NH2+][C@@H](C)CC1 ZINC000049661339 177169629 /nfs/dbraw/zinc/16/96/29/177169629.db2.gz VKPFDCPOIHVGGD-STQMWFEESA-N 2 1 218.344 2.431 10 0 BEAEMP C[C@H]1C[N@@H+](CCCC[NH2+]C(C)(C)C)CCCO1 ZINC000061935694 177248484 /nfs/dbraw/zinc/24/84/84/177248484.db2.gz BTKFYQNCBKZETO-ZDUSSCGKSA-N 2 1 242.407 2.266 10 0 BEAEMP C[C@@H](c1ccco1)[N@H+]1CCC[NH2+]C[C@H](C)C1 ZINC000044390344 177281876 /nfs/dbraw/zinc/28/18/76/177281876.db2.gz DSSPEHQGLUFOIK-RYUDHWBXSA-N 2 1 222.332 2.272 10 0 BEAEMP C[C@H]1C[NH2+]CCC[N@@H+](CCC2CCCC2)C1 ZINC000049666900 177281905 /nfs/dbraw/zinc/28/19/05/177281905.db2.gz SRSXRLSTGHWAEB-ZDUSSCGKSA-N 2 1 224.392 2.498 10 0 BEAEMP C[C@@H](c1cccnc1)[N@@H+]1C[C@H](C)C[NH2+]C[C@H](C)C1 ZINC000049666654 177285418 /nfs/dbraw/zinc/28/54/18/177285418.db2.gz IEJZGRCNCZVRBA-MJBXVCDLSA-N 2 1 247.386 2.320 10 0 BEAEMP C[C@@H](c1ccccn1)[N@@H+]1C[C@H](C)C[NH2+]C[C@H](C)C1 ZINC000049666683 177285572 /nfs/dbraw/zinc/28/55/72/177285572.db2.gz WIYGNGHTTDNASJ-MJBXVCDLSA-N 2 1 247.386 2.320 10 0 BEAEMP C[C@@H]1C[C@H](C)C[N@H+](Cc2occc2C[NH3+])C1 ZINC000052420646 177315495 /nfs/dbraw/zinc/31/54/95/177315495.db2.gz YPJLCHKVUMRXSG-PHIMTYICSA-N 2 1 222.332 2.216 10 0 BEAEMP C[C@H]([NH2+]Cc1cc(F)ccc1F)[C@H]1CC[NH2+]C1 ZINC000400353146 225058175 /nfs/dbraw/zinc/05/81/75/225058175.db2.gz NNVFIACMRNNBEM-UWVGGRQHSA-N 2 1 240.297 2.052 10 0 BEAEMP CC[C@@H]1CN(c2cc[nH+]cc2Cl)CC[C@H]1[NH3+] ZINC000251937715 487808409 /nfs/dbraw/zinc/80/84/09/487808409.db2.gz ZXAYPIRHSRDFIW-MWLCHTKSSA-N 2 1 239.750 2.299 10 0 BEAEMP C[C@H]1CCCN(c2cc[nH+]cc2Cl)[C@H]1C[NH3+] ZINC000252151860 487819330 /nfs/dbraw/zinc/81/93/30/487819330.db2.gz MPXJOXMKTWTCFP-CABZTGNLSA-N 2 1 239.750 2.299 10 0 BEAEMP CC1CCC([NH2+][C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000396708649 323653419 /nfs/dbraw/zinc/65/34/19/323653419.db2.gz OKANJBCXBRHBHB-MVKMKZAISA-N 2 1 210.365 2.295 10 0 BEAEMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H](C1CC1)C1CCC1 ZINC000396696112 323655018 /nfs/dbraw/zinc/65/50/18/323655018.db2.gz FATWZOKLUVMXLT-BPNCWPANSA-N 2 1 222.376 2.295 10 0 BEAEMP C[C@H](Cc1ccsc1)[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000396689666 487995621 /nfs/dbraw/zinc/99/56/21/487995621.db2.gz ZYTZRHSZOZFCGJ-WZRBSPASSA-N 2 1 238.400 2.409 10 0 BEAEMP C[N@@H+](C[C@@H]1CC[C@@H]2C[C@@H]2C1)[C@@H]1CCC[NH2+]CC1 ZINC000403137055 488115155 /nfs/dbraw/zinc/11/51/55/488115155.db2.gz CBBUDLBWOURMTJ-APIJFGDWSA-N 2 1 236.403 2.497 10 0 BEAEMP COc1ccc2c(c1)CCC[C@@H]2[N@@H+](C)CCC[NH3+] ZINC000133721599 491159930 /nfs/dbraw/zinc/15/99/30/491159930.db2.gz BAKXQFROMHRWBK-HNNXBMFYSA-N 2 1 248.370 2.353 10 0 BEAEMP CCCC[N@H+]1CCC[C@@]12C[NH2+]C[C@@H](C)C2 ZINC000757126546 582501591 /nfs/dbraw/zinc/50/15/91/582501591.db2.gz GCLUMCHJSSWNID-QWHCGFSZSA-N 2 1 210.365 2.251 10 0 BEAEMP C[C@H]1C[NH2+]C[C@@]2(CCC[N@H+]2CCC2CC2)C1 ZINC000757128224 582502987 /nfs/dbraw/zinc/50/29/87/582502987.db2.gz JMVFACMNFOHGFJ-TZMCWYRMSA-N 2 1 222.376 2.251 10 0 BEAEMP CC(C)[C@H](C)[N@H+]1CCCC12CC[NH2+]CC2 ZINC000757133693 582509710 /nfs/dbraw/zinc/50/97/10/582509710.db2.gz UAHTZUZMAFDXND-LBPRGKRZSA-N 2 1 210.365 2.249 10 0 BEAEMP CCCC[N@H+]1CC[C@@H]([NH2+]C2CC2)C[C@H]1C ZINC000252475090 520596614 /nfs/dbraw/zinc/59/66/14/520596614.db2.gz SMBBDDCAEVIFFW-DGCLKSJQSA-N 2 1 210.365 2.391 10 0 BEAEMP CCc1cc(OC)ccc1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000261768407 536156779 /nfs/dbraw/zinc/15/67/79/536156779.db2.gz DLYQDRYBNAEEKS-GFCCVEGCSA-N 2 1 248.370 2.038 10 0 BEAEMP C[C@H](C1CC1)[N@H+]1CCC[C@@]12C[NH2+]C[C@@H](C)C2 ZINC000757131239 582505957 /nfs/dbraw/zinc/50/59/57/582505957.db2.gz PXKVBVDERKLGGI-OUCADQQQSA-N 2 1 222.376 2.249 10 0 BEAEMP CC(C)[C@@H](C)[N@H+]1CCCC12CC[NH2+]CC2 ZINC000757133678 582509521 /nfs/dbraw/zinc/50/95/21/582509521.db2.gz UAHTZUZMAFDXND-GFCCVEGCSA-N 2 1 210.365 2.249 10 0 BEAEMP C[C@@H]1[NH2+]CCC[C@@]12CCC[N@H+]2CCC1CC1 ZINC000757133755 582510438 /nfs/dbraw/zinc/51/04/38/582510438.db2.gz UEEGGKJLMWBYIS-GXTWGEPZSA-N 2 1 222.376 2.393 10 0 BEAEMP CC(C)[C@H](C)[N@H+]1CCC[C@]12C[NH2+]C[C@@H](C)C2 ZINC000757134998 582514341 /nfs/dbraw/zinc/51/43/41/582514341.db2.gz XTUUDHBNECBTHM-IHRRRGAJSA-N 2 1 224.392 2.495 10 0 BEAEMP CCC1(CC)C[NH2+][C@]2(CCC[N@@H+](C)CC2)OC1 ZINC000757152915 582537634 /nfs/dbraw/zinc/53/76/34/582537634.db2.gz VFNIOCVMRQJUAG-CQSZACIVSA-N 2 1 240.391 2.225 10 0 BEAEMP C[C@@H]1CC(C)(C)OC2(CC[NH+](C3CC3)CC2)[NH2+]1 ZINC000757153818 582539131 /nfs/dbraw/zinc/53/91/31/582539131.db2.gz XUFKDKRSQAQGMW-LLVKDONJSA-N 2 1 238.375 2.118 10 0 BEAEMP CC[C@@H]1C[N@H+]([C@@H]2CC[NH2+][C@@H](C)C2)C[C@H](CC)O1 ZINC000398581558 583144417 /nfs/dbraw/zinc/14/44/17/583144417.db2.gz MIEBNOIMWPTYFX-RFQIPJPRSA-N 2 1 240.391 2.016 10 0 BEAEMP CC[C@@H]1C[N@@H+]([C@@H]2CC[NH2+][C@@H](C)C2)C[C@H](CC)O1 ZINC000398581558 583144420 /nfs/dbraw/zinc/14/44/20/583144420.db2.gz MIEBNOIMWPTYFX-RFQIPJPRSA-N 2 1 240.391 2.016 10 0 BEAEMP CC[C@@H]1C[NH+]([C@@H]2CC[NH2+][C@H](C)C2)C[C@@H](CC)O1 ZINC000398581554 583144456 /nfs/dbraw/zinc/14/44/56/583144456.db2.gz MIEBNOIMWPTYFX-AAVRWANBSA-N 2 1 240.391 2.016 10 0 BEAEMP C[C@@H](C1CCC1)[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC000757126657 586425996 /nfs/dbraw/zinc/42/59/96/586425996.db2.gz GGLPYBCRSVCGPH-JSGCOSHPSA-N 2 1 222.376 2.393 10 0 BEAEMP [NH3+][C@H]1CC[NH2+][C@@H](c2cscc2C(F)F)C1 ZINC000757232407 586443263 /nfs/dbraw/zinc/44/32/63/586443263.db2.gz IEDPIXRQHXVBFC-IMTBSYHQSA-N 2 1 232.299 2.438 10 0 BEAEMP [NH3+][C@@H]1C[NH2+]C[C@@H](c2cscc2C(F)F)C1 ZINC000757239515 586444347 /nfs/dbraw/zinc/44/43/47/586444347.db2.gz ULMKVEIBJRNGKV-BQBZGAKWSA-N 2 1 232.299 2.090 10 0 BEAEMP [NH3+]C1CC(CNc2[nH+]ccc3ccccc32)C1 ZINC000168815189 633151549 /nfs/dbraw/zinc/15/15/49/633151549.db2.gz NWLIJPCNWLQKMN-UHFFFAOYSA-N 2 1 227.311 2.384 10 0 BEAEMP C[C@@H]1C[N@@H+](CCc2ccccc2)CC[C@@H]1C[NH3+] ZINC000122308969 633206257 /nfs/dbraw/zinc/20/62/57/633206257.db2.gz RYAXDYAIASELGX-UKRRQHHQSA-N 2 1 232.371 2.146 10 0 BEAEMP FC(F)(F)CC[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000334430845 636044907 /nfs/dbraw/zinc/04/49/07/636044907.db2.gz JYZIFZKOSQJBGF-JTQLQIEISA-N 2 1 236.281 2.014 10 0 BEAEMP FC(F)(F)CC[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000334430845 636044910 /nfs/dbraw/zinc/04/49/10/636044910.db2.gz JYZIFZKOSQJBGF-JTQLQIEISA-N 2 1 236.281 2.014 10 0 BEAEMP C[N@@H+](C[C@H]1CCCCO1)C1(C[NH3+])CCCCC1 ZINC000042463792 637264383 /nfs/dbraw/zinc/26/43/83/637264383.db2.gz CJTDMYGUMIABKY-CYBMUJFWSA-N 2 1 240.391 2.149 10 0 BEAEMP CC[C@@H]1CCCC[N@H+]1CCC[NH2+]C1CC1 ZINC000037478552 711466954 /nfs/dbraw/zinc/46/69/54/711466954.db2.gz LSGKCNZRKRNOQM-CYBMUJFWSA-N 2 1 210.365 2.393 10 0 BEAEMP Cc1cccc([C@H]2C[C@H]([NH3+])CC[N@@H+]2C)c1 ZINC000074204361 643653314 /nfs/dbraw/zinc/65/33/14/643653314.db2.gz LVJRACXGEULFOF-CHWSQXEVSA-N 2 1 204.317 2.089 10 0 BEAEMP Cc1ccc([C@@H]2C[C@@H]([NH3+])CC[N@@H+]2C)cc1 ZINC000074204369 643654750 /nfs/dbraw/zinc/65/47/50/643654750.db2.gz YVHHPBHDNOEETG-STQMWFEESA-N 2 1 204.317 2.089 10 0 BEAEMP Cc1cnc(C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)c(C)c1 ZINC000724071867 710736426 /nfs/dbraw/zinc/73/64/26/710736426.db2.gz FBPYDDUBKYUGII-KBPBESRZSA-N 2 1 245.370 2.058 10 0 BEAEMP CC[C@@H]1CC[C@H](C)[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000136231737 711691428 /nfs/dbraw/zinc/69/14/28/711691428.db2.gz BKOKHDKCWOHQRU-QNWHQSFQSA-N 2 1 210.365 2.377 10 0 BEAEMP CCCCCC[N@H+]1C[C@H](OC)C[C@]1(C)C[NH3+] ZINC000708942242 712203139 /nfs/dbraw/zinc/20/31/39/712203139.db2.gz BMLCGBXDVQGCGU-CHWSQXEVSA-N 2 1 228.380 2.005 10 0 BEAEMP Cl/C=C/C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000037917816 712787144 /nfs/dbraw/zinc/78/71/44/712787144.db2.gz PBJVENMRFVYUCE-CXILLOQGSA-N 2 1 228.767 2.203 10 0 BEAEMP Cl/C=C/C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000037917816 712787146 /nfs/dbraw/zinc/78/71/46/712787146.db2.gz PBJVENMRFVYUCE-CXILLOQGSA-N 2 1 228.767 2.203 10 0 BEAEMP CCCC1CCC2(CC1)[C@H]([NH3+])CC[N@H+]2C ZINC000685955250 538900614 /nfs/dbraw/zinc/90/06/14/538900614.db2.gz WUIIPRXCKGSHRG-OTTFEQOBSA-N 2 1 210.365 2.378 10 0 BEAEMP C[C@@H]([N@@H+](C)C[C@]1(C)CC[NH2+]C1)C(C)(C)C ZINC000062912004 349496356 /nfs/dbraw/zinc/49/63/56/349496356.db2.gz VHKPDJACYGASJG-DGCLKSJQSA-N 2 1 212.381 2.352 10 0 BEAEMP Cc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c(C)n1C ZINC000052790506 178022545 /nfs/dbraw/zinc/02/25/45/178022545.db2.gz CXMHYJKFWPBBKK-AWEZNQCLSA-N 2 1 249.402 2.073 10 0 BEAEMP Cc1cc(F)ccc1[C@H](CN)[N@@H+](C)C(C)C ZINC000050578156 178092115 /nfs/dbraw/zinc/09/21/15/178092115.db2.gz IUPAXTUJFPGDFW-ZDUSSCGKSA-N 2 1 224.323 2.474 10 0 BEAEMP Cc1cc(F)ccc1[C@H](CN)[N@H+](C)C(C)C ZINC000050578156 178092117 /nfs/dbraw/zinc/09/21/17/178092117.db2.gz IUPAXTUJFPGDFW-ZDUSSCGKSA-N 2 1 224.323 2.474 10 0 BEAEMP CCC1([N@H+]2CCC[C@@H](C)C2)CC[NH2+]CC1 ZINC000536954525 398198073 /nfs/dbraw/zinc/19/80/73/398198073.db2.gz NUDQZARQWZVUMF-GFCCVEGCSA-N 2 1 210.365 2.251 10 0 BEAEMP C[C@H]([NH2+][C@@H]1CCS[C@@H]1C)[C@H]1CCCC[NH2+]1 ZINC000386621800 398214195 /nfs/dbraw/zinc/21/41/95/398214195.db2.gz YIDNHYPUVUPKCB-IRCOFANPSA-N 2 1 228.405 2.001 10 0 BEAEMP Cc1cc(N[C@@H](C[NH+](C)C)C(C)C)nc(C)[nH+]1 ZINC000049218291 178180116 /nfs/dbraw/zinc/18/01/16/178180116.db2.gz REBVMZOVHMSDMZ-LBPRGKRZSA-N 2 1 236.363 2.092 10 0 BEAEMP C[NH2+]C[C@H]1CC[N@@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000381596805 398265873 /nfs/dbraw/zinc/26/58/73/398265873.db2.gz FPLNFIPFJYBLPA-VXGBXAGGSA-N 2 1 246.345 2.353 10 0 BEAEMP CCC[C@@H]1C[C@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000090175112 398270385 /nfs/dbraw/zinc/27/03/85/398270385.db2.gz CKUZDPSZJNLYIS-AAVRWANBSA-N 2 1 222.376 2.391 10 0 BEAEMP C[NH2+]CCC[N@@H+](C)C[C@@H]1CCCCC1(F)F ZINC000381752835 398271150 /nfs/dbraw/zinc/27/11/50/398271150.db2.gz WCZCIUIDEFHICB-NSHDSACASA-N 2 1 234.334 2.353 10 0 BEAEMP C[C@@H]1[C@@H](C)CCC[N@H+]1CCC[NH2+]C1CC1 ZINC000050566554 539011184 /nfs/dbraw/zinc/01/11/84/539011184.db2.gz OXFMRIAUDDFZDK-NWDGAFQWSA-N 2 1 210.365 2.249 10 0 BEAEMP C[N@H+](CC[NH2+]CC1CC1)C1CCCCC1 ZINC000037478504 342937043 /nfs/dbraw/zinc/93/70/43/342937043.db2.gz UXSWHVSXUWICHG-UHFFFAOYSA-N 2 1 210.365 2.251 10 0 BEAEMP C[N@@H+](CC[NH2+]CC1CC1)C1CCCCC1 ZINC000037478504 342937044 /nfs/dbraw/zinc/93/70/44/342937044.db2.gz UXSWHVSXUWICHG-UHFFFAOYSA-N 2 1 210.365 2.251 10 0 BEAEMP C([C@H]1CCCC[NH2+]1)[N@@H+]1CC2CCC1CC2 ZINC000238001152 343236400 /nfs/dbraw/zinc/23/64/00/343236400.db2.gz GTFPMPIUGWMCNZ-OTTFEQOBSA-N 2 1 208.349 2.003 10 0 BEAEMP C([C@H]1CCCC[NH2+]1)[N@H+]1CC2CCC1CC2 ZINC000238001152 343236403 /nfs/dbraw/zinc/23/64/03/343236403.db2.gz GTFPMPIUGWMCNZ-OTTFEQOBSA-N 2 1 208.349 2.003 10 0 BEAEMP CC[C@@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)C(C)C ZINC000371480737 343286252 /nfs/dbraw/zinc/28/62/52/343286252.db2.gz QLLSDOMAFRVHLF-NWDGAFQWSA-N 2 1 221.348 2.222 10 0 BEAEMP [NH3+][C@@H]1CCCC[C@H]1Nc1[nH]c2ccccc2[nH+]1 ZINC000038050680 343367650 /nfs/dbraw/zinc/36/76/50/343367650.db2.gz QOFLSJOPNUNVRI-NXEZZACHSA-N 2 1 230.315 2.245 10 0 BEAEMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H](C)[C@H]2C[C@H]2C)C1 ZINC000321657773 343503888 /nfs/dbraw/zinc/50/38/88/343503888.db2.gz WHVICIVLOGPDPJ-MQYQWHSLSA-N 2 1 224.392 2.351 10 0 BEAEMP CCC[C@@H]1C[C@@H]1[NH2+]C1CC[NH+](CC)CC1 ZINC000132289142 344297328 /nfs/dbraw/zinc/29/73/28/344297328.db2.gz CFRBCQNEUVAZNW-YPMHNXCESA-N 2 1 210.365 2.249 10 0 BEAEMP CC[N@H+]1CCC[C@@H]([C@H]2CCCCC[NH2+]2)C1 ZINC000100289070 344411226 /nfs/dbraw/zinc/41/12/26/344411226.db2.gz SJSOQIPWFQABOH-CHWSQXEVSA-N 2 1 210.365 2.251 10 0 BEAEMP CC[C@H]([NH3+])CC[N@@H+](C)Cc1ccccc1 ZINC000127762397 344644567 /nfs/dbraw/zinc/64/45/67/344644567.db2.gz CZYNVWVBJARFSY-ZDUSSCGKSA-N 2 1 206.333 2.246 10 0 BEAEMP CC[N@H+]1CC[C@H]([NH3+])C[C@@H]1c1ccc(C)cc1 ZINC000675053197 537862073 /nfs/dbraw/zinc/86/20/73/537862073.db2.gz HMGKDBDVSZWNOB-UONOGXRCSA-N 2 1 218.344 2.479 10 0 BEAEMP CC[N@H+]1CC[C@@H]([NH3+])C[C@H]1c1ccc(C)cc1 ZINC000675053192 537862541 /nfs/dbraw/zinc/86/25/41/537862541.db2.gz HMGKDBDVSZWNOB-KGLIPLIRSA-N 2 1 218.344 2.479 10 0 BEAEMP C[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000230903945 349922321 /nfs/dbraw/zinc/92/23/21/349922321.db2.gz DTDOFYNAYVGQID-AWEZNQCLSA-N 2 1 218.344 2.118 10 0 BEAEMP C[C@H]1C[N@@H+](CC2CCC(C)CC2)C[C@H]1C[NH3+] ZINC000634998824 345199321 /nfs/dbraw/zinc/19/93/21/345199321.db2.gz LNMBPUFFIDWKEM-GNRIBBGQSA-N 2 1 224.392 2.339 10 0 BEAEMP Cc1ccc([C@H](C)C[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000215652741 345742477 /nfs/dbraw/zinc/74/24/77/345742477.db2.gz UZXQTQYKDAEPGR-TZMCWYRMSA-N 2 1 218.344 2.050 10 0 BEAEMP FCC[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000034191894 346222192 /nfs/dbraw/zinc/22/21/92/346222192.db2.gz RGCIBHZTGYXCKV-CQSZACIVSA-N 2 1 236.334 2.068 10 0 BEAEMP FCC[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000034191894 346222194 /nfs/dbraw/zinc/22/21/94/346222194.db2.gz RGCIBHZTGYXCKV-CQSZACIVSA-N 2 1 236.334 2.068 10 0 BEAEMP Cc1cccc(C[N@@H+](C)[C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000042435791 179069451 /nfs/dbraw/zinc/06/94/51/179069451.db2.gz RFGHBQMYXGEXJS-UONOGXRCSA-N 2 1 218.344 2.307 10 0 BEAEMP Cc1cccc(C[N@H+](C)[C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000042435791 179069454 /nfs/dbraw/zinc/06/94/54/179069454.db2.gz RFGHBQMYXGEXJS-UONOGXRCSA-N 2 1 218.344 2.307 10 0 BEAEMP Cc1cccc(C[N@@H+](C)[C@H]2CCC[C@@H]2[NH3+])c1 ZINC000042435792 179071590 /nfs/dbraw/zinc/07/15/90/179071590.db2.gz RFGHBQMYXGEXJS-KBPBESRZSA-N 2 1 218.344 2.307 10 0 BEAEMP Cc1cccc(C[N@H+](C)[C@H]2CCC[C@@H]2[NH3+])c1 ZINC000042435792 179071591 /nfs/dbraw/zinc/07/15/91/179071591.db2.gz RFGHBQMYXGEXJS-KBPBESRZSA-N 2 1 218.344 2.307 10 0 BEAEMP Cc1cccc(C[N@H+](C)C[C@@H](C)C[NH3+])c1 ZINC000042435682 179065688 /nfs/dbraw/zinc/06/56/88/179065688.db2.gz BQCANXPJJFFOHJ-LBPRGKRZSA-N 2 1 206.333 2.022 10 0 BEAEMP Cc1cccc(C[N@@H+]2CC[NH2+][C@@H](C)CC2)c1 ZINC000049662240 179078599 /nfs/dbraw/zinc/07/85/99/179078599.db2.gz PXATUJQXWUZOQG-ZDUSSCGKSA-N 2 1 218.344 2.179 10 0 BEAEMP Cc1cccc(C[N@H+]2CC[NH2+][C@@H](C)CC2)c1 ZINC000049662240 179078601 /nfs/dbraw/zinc/07/86/01/179078601.db2.gz PXATUJQXWUZOQG-ZDUSSCGKSA-N 2 1 218.344 2.179 10 0 BEAEMP Cc1cccc(C[N@H+]2CC[NH2+]CC[C@H]2C)c1 ZINC000062609138 179078789 /nfs/dbraw/zinc/07/87/89/179078789.db2.gz YJWFVGCUHPHLIF-CYBMUJFWSA-N 2 1 218.344 2.179 10 0 BEAEMP Cc1cccc(C[N@@H+]2CC[NH2+]CC[C@H]2C)c1 ZINC000062609138 179078792 /nfs/dbraw/zinc/07/87/92/179078792.db2.gz YJWFVGCUHPHLIF-CYBMUJFWSA-N 2 1 218.344 2.179 10 0 BEAEMP Cc1cccc(N[C@@H](C)CCCC[NH3+])[nH+]1 ZINC000336682152 179153788 /nfs/dbraw/zinc/15/37/88/179153788.db2.gz JFKCESPYOMYJHR-JTQLQIEISA-N 2 1 207.321 2.319 10 0 BEAEMP Cc1cccc(OCC[NH+]2CCC[NH2+]CCC2)c1 ZINC000042897914 179166788 /nfs/dbraw/zinc/16/67/88/179166788.db2.gz FQOGIKYQVKBGNH-UHFFFAOYSA-N 2 1 248.370 2.059 10 0 BEAEMP Cc1cccc([C@@H]([C@H](C)[NH3+])[NH+]2CCCC2)c1 ZINC000042965337 179188892 /nfs/dbraw/zinc/18/88/92/179188892.db2.gz UUKCLRCTMQHDLJ-GXTWGEPZSA-N 2 1 218.344 2.479 10 0 BEAEMP Cc1ccccc1C[N@@H+](C)[C@@H]1CCC[C@@H]1[NH3+] ZINC000042436031 179269791 /nfs/dbraw/zinc/26/97/91/179269791.db2.gz GQXZYQXXBBFNNQ-UONOGXRCSA-N 2 1 218.344 2.307 10 0 BEAEMP Cc1ccccc1C[N@H+](C)[C@@H]1CCC[C@@H]1[NH3+] ZINC000042436031 179269793 /nfs/dbraw/zinc/26/97/93/179269793.db2.gz GQXZYQXXBBFNNQ-UONOGXRCSA-N 2 1 218.344 2.307 10 0 BEAEMP Cc1ccccc1C[NH2+]C[C@H]1CC[N@H+](C)C1 ZINC000037484586 179280852 /nfs/dbraw/zinc/28/08/52/179280852.db2.gz IXMGXTWWTYCGOK-CYBMUJFWSA-N 2 1 218.344 2.036 10 0 BEAEMP Cc1ccccc1NCC[N@@H+](C)CCC[NH+](C)C ZINC000104189062 179304936 /nfs/dbraw/zinc/30/49/36/179304936.db2.gz MDZZIMZXIUFSGB-UHFFFAOYSA-N 2 1 249.402 2.290 10 0 BEAEMP Cc1ccccc1NCC[N@H+](C)CCC[NH+](C)C ZINC000104189062 179304939 /nfs/dbraw/zinc/30/49/39/179304939.db2.gz MDZZIMZXIUFSGB-UHFFFAOYSA-N 2 1 249.402 2.290 10 0 BEAEMP Cc1[nH+]ccn1C[C@H]([NH3+])c1ccccc1C ZINC000023067419 179324514 /nfs/dbraw/zinc/32/45/14/179324514.db2.gz BFOZONSTONXGKD-ZDUSSCGKSA-N 2 1 215.300 2.200 10 0 BEAEMP CC1CC[NH+](C[C@@H]2C[C@H](C)C[C@H](C)[NH2+]2)CC1 ZINC000669381537 537995252 /nfs/dbraw/zinc/99/52/52/537995252.db2.gz NKOBGUZTAKNETR-RDBSUJKOSA-N 2 1 224.392 2.495 10 0 BEAEMP Cc1ccccc1[C@H]([C@@H](C)[NH3+])[NH+]1CCCC1 ZINC000043033257 179347670 /nfs/dbraw/zinc/34/76/70/179347670.db2.gz WAFPXFYLPSMKFY-OCCSQVGLSA-N 2 1 218.344 2.479 10 0 BEAEMP Cc1nccc(NC[C@H]2CCC[N@@H+]2CC(C)C)n1 ZINC000131489132 180201616 /nfs/dbraw/zinc/20/16/16/180201616.db2.gz IVHMKCHPDNOABT-CYBMUJFWSA-N 2 1 248.374 2.317 10 0 BEAEMP Cc1[nH+]ccn1CCOc1cccc([C@H](C)[NH3+])c1 ZINC000049329358 180263096 /nfs/dbraw/zinc/26/30/96/180263096.db2.gz HUNJSPPQAHAQTP-NSHDSACASA-N 2 1 245.326 2.290 10 0 BEAEMP Cc1[nH+]ccn1CCOc1ccccc1[C@@H](C)[NH3+] ZINC000049329346 180263612 /nfs/dbraw/zinc/26/36/12/180263612.db2.gz BYTLKIADFQGIDG-LLVKDONJSA-N 2 1 245.326 2.290 10 0 BEAEMP Cc1[nH+]ccn1Cc1ccc(C[NH2+]C2CC2)cc1 ZINC000052576172 180268885 /nfs/dbraw/zinc/26/88/85/180268885.db2.gz AIHUDXSRYPFCDA-UHFFFAOYSA-N 2 1 241.338 2.492 10 0 BEAEMP Cc1[nH+]ccn1[C@H]1CCCCC[C@@H]1C[NH3+] ZINC000037159990 180271518 /nfs/dbraw/zinc/27/15/18/180271518.db2.gz RTCJNKCWBUVEJM-NEPJUHHUSA-N 2 1 207.321 2.272 10 0 BEAEMP Cc1[nH+]ccn1[C@H](c1ccc(F)cc1)[C@@H](C)[NH3+] ZINC000042915854 180272154 /nfs/dbraw/zinc/27/21/54/180272154.db2.gz MLJBYISACZGJDJ-RNCFNFMXSA-N 2 1 233.290 2.267 10 0 BEAEMP Cc1[nH+]cn([C@@H](c2cccs2)[C@H](C)[NH3+])c1C ZINC000051925921 180289973 /nfs/dbraw/zinc/28/99/73/180289973.db2.gz UZJNSJRPPWVIRK-QPUJVOFHSA-N 2 1 235.356 2.498 10 0 BEAEMP Cc1[nH+]cn([C@H](c2cccs2)[C@@H](C)[NH3+])c1C ZINC000051925920 180290066 /nfs/dbraw/zinc/29/00/66/180290066.db2.gz UZJNSJRPPWVIRK-PELKAZGASA-N 2 1 235.356 2.498 10 0 BEAEMP Cc1ncsc1[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](C)C1 ZINC000037484862 180326740 /nfs/dbraw/zinc/32/67/40/180326740.db2.gz WITRMZNSDGBMJC-KOLCDFICSA-N 2 1 239.388 2.054 10 0 BEAEMP Cc1ncsc1[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](C)C1 ZINC000037484862 180326743 /nfs/dbraw/zinc/32/67/43/180326743.db2.gz WITRMZNSDGBMJC-KOLCDFICSA-N 2 1 239.388 2.054 10 0 BEAEMP Nc1cccc([C@@H]2CCCCC[N@@H+]2CC[NH3+])c1 ZINC000616624802 351092770 /nfs/dbraw/zinc/09/27/70/351092770.db2.gz GZAUGEGTRMOJTE-AWEZNQCLSA-N 2 1 233.359 2.145 10 0 BEAEMP Nc1cccc([C@@H]2CCCCC[N@H+]2CC[NH3+])c1 ZINC000616624802 351092773 /nfs/dbraw/zinc/09/27/73/351092773.db2.gz GZAUGEGTRMOJTE-AWEZNQCLSA-N 2 1 233.359 2.145 10 0 BEAEMP C[C@@H]1C/C(=C/C[NH3+])C[N@H+]1Cc1ccccc1 ZINC000307047404 351447391 /nfs/dbraw/zinc/44/73/91/351447391.db2.gz FIEGIEYTXGRTDN-AISSWFOISA-N 2 1 216.328 2.166 10 0 BEAEMP CCCc1ccc([C@H]2CC[NH2+]C[C@@H]2[NH3+])cc1 ZINC000725272758 538104206 /nfs/dbraw/zinc/10/42/06/538104206.db2.gz UXVXUJLMGUSDCS-KGLIPLIRSA-N 2 1 218.344 2.043 10 0 BEAEMP C[NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000052380758 188086156 /nfs/dbraw/zinc/08/61/56/188086156.db2.gz WGVAHBURXCRAAF-BETUJISGSA-N 2 1 248.370 2.015 10 0 BEAEMP CCc1[nH+]ccn1-c1ccc([C@H](C)[NH3+])cc1 ZINC000042419917 188120025 /nfs/dbraw/zinc/12/00/25/188120025.db2.gz WCPGBVYDQCJEPT-JTQLQIEISA-N 2 1 215.300 2.454 10 0 BEAEMP CC(C)C[C@@H](C[NH+](C)C)Nc1ccc(N)[nH+]c1 ZINC000049554993 188124232 /nfs/dbraw/zinc/12/42/32/188124232.db2.gz VTFSKZRUBYVFMP-LBPRGKRZSA-N 2 1 236.363 2.052 10 0 BEAEMP CC(C)C[C@H](C[NH+](C)C)Nc1ccc(N)[nH+]c1 ZINC000049554994 188124613 /nfs/dbraw/zinc/12/46/13/188124613.db2.gz VTFSKZRUBYVFMP-GFCCVEGCSA-N 2 1 236.363 2.052 10 0 BEAEMP C[NH2+][C@@H]1CC[N@H+](Cc2ccc(OC)cc2)[C@@H](C)C1 ZINC000049707626 188125716 /nfs/dbraw/zinc/12/57/16/188125716.db2.gz IKWPFWDOZSTBSE-GXTWGEPZSA-N 2 1 248.370 2.268 10 0 BEAEMP C[NH2+][C@@H]1CC[N@@H+](Cc2ccc(OC)cc2)[C@@H](C)C1 ZINC000049707626 188125717 /nfs/dbraw/zinc/12/57/17/188125717.db2.gz IKWPFWDOZSTBSE-GXTWGEPZSA-N 2 1 248.370 2.268 10 0 BEAEMP CCc1[nH+]ccn1-c1ccc(C[C@@H](C)[NH3+])cc1F ZINC000104295074 188151431 /nfs/dbraw/zinc/15/14/31/188151431.db2.gz BECRWDXGTIYTOX-SNVBAGLBSA-N 2 1 247.317 2.464 10 0 BEAEMP C1CC([NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000134682491 188156137 /nfs/dbraw/zinc/15/61/37/188156137.db2.gz UZSNPPGTZNGCGO-GFCCVEGCSA-N 2 1 208.349 2.145 10 0 BEAEMP C1CC([NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000134682491 188156139 /nfs/dbraw/zinc/15/61/39/188156139.db2.gz UZSNPPGTZNGCGO-GFCCVEGCSA-N 2 1 208.349 2.145 10 0 BEAEMP C[N@@H+](Cc1ccccc1)[C@H]1C[C@H]([NH3+])C1(C)C ZINC000405531353 353795668 /nfs/dbraw/zinc/79/56/68/353795668.db2.gz YGWVVJKRVGTKKO-STQMWFEESA-N 2 1 218.344 2.244 10 0 BEAEMP CC[N@@H+]1CC[C@H]([NH3+])C[C@@H]1c1cccc(F)c1 ZINC000675055618 538476062 /nfs/dbraw/zinc/47/60/62/538476062.db2.gz VXVXVWJHMVNECP-QWHCGFSZSA-N 2 1 222.307 2.310 10 0 BEAEMP CC[N@H+]1CC[C@H]([NH3+])C[C@@H]1c1cccc(F)c1 ZINC000675055618 538476064 /nfs/dbraw/zinc/47/60/64/538476064.db2.gz VXVXVWJHMVNECP-QWHCGFSZSA-N 2 1 222.307 2.310 10 0 BEAEMP C[C@H]1CCCC[N@H+]1C1CC2(C1)CC[NH2+]CC2 ZINC000675069638 538499018 /nfs/dbraw/zinc/49/90/18/538499018.db2.gz JPITUALBLXATKN-LBPRGKRZSA-N 2 1 222.376 2.393 10 0 BEAEMP CC[N@@H+](CC(C)C)C1CC2(C1)CC[NH2+]CC2 ZINC000675070039 538499710 /nfs/dbraw/zinc/49/97/10/538499710.db2.gz OSZHXOAEHAMCOU-UHFFFAOYSA-N 2 1 224.392 2.497 10 0 BEAEMP CC[NH2+]CC[C@H]([NH3+])c1ccccc1OCC ZINC000685946681 538887134 /nfs/dbraw/zinc/88/71/34/538887134.db2.gz DOMMBBIZWWUGGM-LBPRGKRZSA-N 2 1 222.332 2.085 10 0 BEAEMP CC[C@@]1([NH3+])C[NH2+]C[C@H]1c1cc(C)cc(C)c1 ZINC000685945921 538887684 /nfs/dbraw/zinc/88/76/84/538887684.db2.gz GECQDGFIQMNVFW-UONOGXRCSA-N 2 1 218.344 2.098 10 0 BEAEMP CC[C@@H]1CCC[N@H+](C2[C@H](C)C[NH2+]C[C@H]2C)C1 ZINC000685950844 538894402 /nfs/dbraw/zinc/89/44/02/538894402.db2.gz FETHWMACROPDLE-JHJVBQTASA-N 2 1 224.392 2.352 10 0 BEAEMP C[C@@H]1C[NH2+]C[C@H](C)[C@H]1[N@H+]1CCC2(CCC2)C1 ZINC000685951473 538895136 /nfs/dbraw/zinc/89/51/36/538895136.db2.gz VHIJIINIUUZUBS-ITGUQSILSA-N 2 1 222.376 2.106 10 0 BEAEMP C[C@@H]([N@@H+](C)C[C@@]1(C)CC[NH2+]C1)C(C)(C)C ZINC000219863013 358014513 /nfs/dbraw/zinc/01/45/13/358014513.db2.gz VHKPDJACYGASJG-YPMHNXCESA-N 2 1 212.381 2.352 10 0 BEAEMP C[C@]1(C[N@H+]2CC[C@@H](c3ccccc3)C2)CC[NH2+]C1 ZINC000219865247 134292250 /nfs/dbraw/zinc/29/22/50/134292250.db2.gz MNRPAPMXGASSBW-CVEARBPZSA-N 2 1 244.382 2.476 10 0 BEAEMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCc1ccco1 ZINC000054602483 181344669 /nfs/dbraw/zinc/34/46/69/181344669.db2.gz QGFUMFSUOKAXIG-YHWZYXNKSA-N 2 1 234.343 2.166 10 0 BEAEMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCc1ccco1 ZINC000054602483 181344671 /nfs/dbraw/zinc/34/46/71/181344671.db2.gz QGFUMFSUOKAXIG-YHWZYXNKSA-N 2 1 234.343 2.166 10 0 BEAEMP CCC(C)(C)CC[N@H+]1C[C@H](OC)C[C@]1(C)C[NH3+] ZINC000630357201 364079539 /nfs/dbraw/zinc/07/95/39/364079539.db2.gz COTQNSZZEDMAQW-TZMCWYRMSA-N 2 1 242.407 2.251 10 0 BEAEMP [NH3+][C@H]1CCCCCN(c2cc[nH+]cc2Cl)C1 ZINC000630550764 364244178 /nfs/dbraw/zinc/24/41/78/364244178.db2.gz ULLQJJOWOBLRJL-JTQLQIEISA-N 2 1 239.750 2.443 10 0 BEAEMP [NH3+]CCCCC[N@H+]1CCC[C@@H]1c1ccncc1 ZINC000049580717 181375580 /nfs/dbraw/zinc/37/55/80/181375580.db2.gz WWJAKBXNIFEWTN-CQSZACIVSA-N 2 1 233.359 2.348 10 0 BEAEMP [NH3+]CC[NH2+]C1CC(c2ccc(Cl)cc2)C1 ZINC000037712819 181396105 /nfs/dbraw/zinc/39/61/05/181396105.db2.gz FMPKFSPXOXKBPR-UHFFFAOYSA-N 2 1 224.735 2.134 10 0 BEAEMP Cc1cccc(C)c1C[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631839691 369170658 /nfs/dbraw/zinc/17/06/58/369170658.db2.gz JRSKBYAHNSJXSG-KBPBESRZSA-N 2 1 232.371 2.330 10 0 BEAEMP CC[C@H](CC(F)F)C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631837122 372627693 /nfs/dbraw/zinc/62/76/93/372627693.db2.gz NBLOHWQOODGQFJ-HBNTYKKESA-N 2 1 234.334 2.194 10 0 BEAEMP C[C@@H](c1ccc(F)cc1)[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631839552 372635940 /nfs/dbraw/zinc/63/59/40/372635940.db2.gz HRABYVDZHUTUSH-MDZLAQPJSA-N 2 1 236.334 2.413 10 0 BEAEMP Cc1ccc(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000631843889 372641420 /nfs/dbraw/zinc/64/14/20/372641420.db2.gz SYWXCOLVSSPUKJ-JSGCOSHPSA-N 2 1 218.344 2.022 10 0 BEAEMP C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2)C[C@@H]1C[NH3+] ZINC000631845162 372643147 /nfs/dbraw/zinc/64/31/47/372643147.db2.gz UVCIDVCTSUUJOK-JQWIXIFHSA-N 2 1 238.762 2.367 10 0 BEAEMP c1cc2n(c1)[C@@H]1CCCC[C@H]1[NH2+]C21CC[NH2+]CC1 ZINC000144314882 374283323 /nfs/dbraw/zinc/28/33/23/374283323.db2.gz VIIBZNSRDLMKHQ-CHWSQXEVSA-N 2 1 245.370 2.154 10 0 BEAEMP CCCN(c1cc(C)[nH+]c(C)n1)[C@@H]1CCC[NH2+]C1 ZINC000104342206 169182978 /nfs/dbraw/zinc/18/29/78/169182978.db2.gz ZKSQGPKQSQVYQR-CYBMUJFWSA-N 2 1 248.374 2.062 10 0 BEAEMP CCC[N@H+]1CCC[NH2+][C@H](Cc2ccccc2)C1 ZINC000062615873 169195035 /nfs/dbraw/zinc/19/50/35/169195035.db2.gz AFNUPNDIYASCSJ-OAHLLOKOSA-N 2 1 232.371 2.303 10 0 BEAEMP CCC[NH2+]CC(C)(C)C[N@@H+](CC)CCOCC ZINC000104189715 169255856 /nfs/dbraw/zinc/25/58/56/169255856.db2.gz LSKIZFQUMLPDCA-UHFFFAOYSA-N 2 1 244.423 2.371 10 0 BEAEMP CCC[NH2+]C[C@@H](C)C[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000052543407 169261014 /nfs/dbraw/zinc/26/10/14/169261014.db2.gz UAJYPWCMTIXTAQ-OLZOCXBDSA-N 2 1 242.407 2.121 10 0 BEAEMP CCC[NH2+]C[C@@H](C)C[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000052543407 169261016 /nfs/dbraw/zinc/26/10/16/169261016.db2.gz UAJYPWCMTIXTAQ-OLZOCXBDSA-N 2 1 242.407 2.121 10 0 BEAEMP CCC[NH2+]C[C@@H](C)C[N@@H+](CC)C[C@@H]1CCCO1 ZINC000052510616 169261623 /nfs/dbraw/zinc/26/16/23/169261623.db2.gz MIQDHSPTNCBCET-KGLIPLIRSA-N 2 1 242.407 2.123 10 0 BEAEMP CCC[NH2+][C@H](CC)C[N@H+](C)C[C@@H]1CCCOC1 ZINC000104196041 169288232 /nfs/dbraw/zinc/28/82/32/169288232.db2.gz QNOCXUDKORTGPN-UONOGXRCSA-N 2 1 242.407 2.123 10 0 BEAEMP CCC[NH2+][C@H](CC)C[N@@H+](C)C[C@@H]1CCCOC1 ZINC000104196041 169288233 /nfs/dbraw/zinc/28/82/33/169288233.db2.gz QNOCXUDKORTGPN-UONOGXRCSA-N 2 1 242.407 2.123 10 0 BEAEMP CCC[NH2+]C[C@H](C)C[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000052543408 169263991 /nfs/dbraw/zinc/26/39/91/169263991.db2.gz UAJYPWCMTIXTAQ-STQMWFEESA-N 2 1 242.407 2.121 10 0 BEAEMP CCC[NH2+]C[C@H](C)C[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000052543408 169263993 /nfs/dbraw/zinc/26/39/93/169263993.db2.gz UAJYPWCMTIXTAQ-STQMWFEESA-N 2 1 242.407 2.121 10 0 BEAEMP CCC[NH2+]C[C@]1(C[N@@H+](CC)CCC)CCOC1 ZINC000051214831 169264483 /nfs/dbraw/zinc/26/44/83/169264483.db2.gz DIWSFSVCKPBSLN-AWEZNQCLSA-N 2 1 242.407 2.125 10 0 BEAEMP CCC[NH2+]C[C@H]1CC[N@H+](Cc2ccc(C)o2)C1 ZINC000053038805 169264514 /nfs/dbraw/zinc/26/45/14/169264514.db2.gz SWFMYKOFAFGCPW-CYBMUJFWSA-N 2 1 236.359 2.410 10 0 BEAEMP CCC[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(C)o2)C1 ZINC000053038805 169264515 /nfs/dbraw/zinc/26/45/15/169264515.db2.gz SWFMYKOFAFGCPW-CYBMUJFWSA-N 2 1 236.359 2.410 10 0 BEAEMP c1ccc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)nc1 ZINC000031994640 183398861 /nfs/dbraw/zinc/39/88/61/183398861.db2.gz OEGGOXAWCOEGIB-OAHLLOKOSA-N 2 1 245.370 2.047 10 0 BEAEMP c1ccc(C[N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)nc1 ZINC000031994640 183398863 /nfs/dbraw/zinc/39/88/63/183398863.db2.gz OEGGOXAWCOEGIB-OAHLLOKOSA-N 2 1 245.370 2.047 10 0 BEAEMP CCCO[C@@H]1CCC[N@H+](C[C@](C)([NH3+])C2CC2)C1 ZINC000042425516 169311612 /nfs/dbraw/zinc/31/16/12/169311612.db2.gz NFSVTHFUISPVJB-KGLIPLIRSA-N 2 1 240.391 2.005 10 0 BEAEMP CCCO[C@@H]1CCC[N@@H+](C[C@](C)([NH3+])C2CC2)C1 ZINC000042425516 169311614 /nfs/dbraw/zinc/31/16/14/169311614.db2.gz NFSVTHFUISPVJB-KGLIPLIRSA-N 2 1 240.391 2.005 10 0 BEAEMP CCCO[C@@H]1CCC[N@@H+]([C@@H](C[NH3+])C(C)(C)C)C1 ZINC000042421212 169311662 /nfs/dbraw/zinc/31/16/62/169311662.db2.gz WIYDMHZYVKKZKO-OLZOCXBDSA-N 2 1 242.407 2.251 10 0 BEAEMP CCCO[C@@H]1CCC[N@H+]([C@@H](C[NH3+])C(C)(C)C)C1 ZINC000042421212 169311663 /nfs/dbraw/zinc/31/16/63/169311663.db2.gz WIYDMHZYVKKZKO-OLZOCXBDSA-N 2 1 242.407 2.251 10 0 BEAEMP CCCO[C@H]1CCC[N@@H+]([C@@H](C[NH3+])[C@@H](C)CC)C1 ZINC000042421153 169312665 /nfs/dbraw/zinc/31/26/65/169312665.db2.gz UVGZPGBCGJOPQS-IHRRRGAJSA-N 2 1 242.407 2.251 10 0 BEAEMP CCCO[C@H]1CCC[N@H+]([C@@H](C[NH3+])[C@@H](C)CC)C1 ZINC000042421153 169312667 /nfs/dbraw/zinc/31/26/67/169312667.db2.gz UVGZPGBCGJOPQS-IHRRRGAJSA-N 2 1 242.407 2.251 10 0 BEAEMP CCCO[C@H]1CCC[N@@H+]([C@@H]2CCCC[C@@H]2[NH3+])C1 ZINC000042421905 169312886 /nfs/dbraw/zinc/31/28/86/169312886.db2.gz FKTDTYVEWWPDFK-MELADBBJSA-N 2 1 240.391 2.147 10 0 BEAEMP CCCO[C@H]1CCC[N@H+]([C@@H]2CCCC[C@@H]2[NH3+])C1 ZINC000042421905 169312888 /nfs/dbraw/zinc/31/28/88/169312888.db2.gz FKTDTYVEWWPDFK-MELADBBJSA-N 2 1 240.391 2.147 10 0 BEAEMP CCCO[C@H]1CCC[N@H+](C[C@H]([NH3+])C(C)(C)C)C1 ZINC000042421869 169312978 /nfs/dbraw/zinc/31/29/78/169312978.db2.gz KYXCSTZEJZLOIN-STQMWFEESA-N 2 1 242.407 2.251 10 0 BEAEMP CCCO[C@H]1CCC[N@@H+](C[C@H]([NH3+])C(C)(C)C)C1 ZINC000042421869 169312980 /nfs/dbraw/zinc/31/29/80/169312980.db2.gz KYXCSTZEJZLOIN-STQMWFEESA-N 2 1 242.407 2.251 10 0 BEAEMP CCC[C@@H](C)[N@@H+](C)Cc1cc(C[NH2+]CC)no1 ZINC000052480616 169365435 /nfs/dbraw/zinc/36/54/35/169365435.db2.gz VYZWYUYEQNFIKQ-LLVKDONJSA-N 2 1 239.363 2.405 10 0 BEAEMP CCC[C@@H](C)C[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000310019153 169361153 /nfs/dbraw/zinc/36/11/53/169361153.db2.gz MJCLAZKNDWXOOD-NEPJUHHUSA-N 2 1 221.348 2.224 10 0 BEAEMP CCC[C@@H](C[N@H+](C)CC1CCOCC1)[NH2+]CC ZINC000104190241 169382927 /nfs/dbraw/zinc/38/29/27/169382927.db2.gz JFVCKAIANCHFFM-AWEZNQCLSA-N 2 1 242.407 2.123 10 0 BEAEMP CCC[C@@H](C[N@@H+](C)CC1CCOCC1)[NH2+]CC ZINC000104190241 169382928 /nfs/dbraw/zinc/38/29/28/169382928.db2.gz JFVCKAIANCHFFM-AWEZNQCLSA-N 2 1 242.407 2.123 10 0 BEAEMP c1cn2c([nH+]1)CC[C@H](C[NH2+]C[C@H]1CC=CCC1)C2 ZINC000275507414 384385849 /nfs/dbraw/zinc/38/58/49/384385849.db2.gz KCESEVGRFPUTBG-UONOGXRCSA-N 2 1 245.370 2.391 10 0 BEAEMP Cc1ccc(N[C@H]2CC[C@H]([NH3+])CC2)[nH+]c1 ZINC000100259555 384628874 /nfs/dbraw/zinc/62/88/74/384628874.db2.gz KGUPPGJJMAALPA-PHIMTYICSA-N 2 1 205.305 2.072 10 0 BEAEMP C[C@H]([NH3+])CC[NH2+]Cc1cc(Cl)ccc1F ZINC000258668355 384935939 /nfs/dbraw/zinc/93/59/39/384935939.db2.gz CJGCEBBDAVOTNF-QMMMGPOBSA-N 2 1 230.714 2.306 10 0 BEAEMP COc1ccc(C[NH2+]CC[C@@H](C)[NH3+])c(Cl)c1 ZINC000258769865 384943326 /nfs/dbraw/zinc/94/33/26/384943326.db2.gz NYWKUKYOHIETKU-SECBINFHSA-N 2 1 242.750 2.176 10 0 BEAEMP C[C@@H]1[C@H]([NH3+])CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000169616726 385415140 /nfs/dbraw/zinc/41/51/40/385415140.db2.gz NWKPWPVTPIKZQR-OUCADQQQSA-N 2 1 218.344 2.244 10 0 BEAEMP C[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)[C@@H]1[NH3+] ZINC000169616747 385415701 /nfs/dbraw/zinc/41/57/01/385415701.db2.gz ZWBZAXCNTIOTLB-MBNYWOFBSA-N 2 1 218.344 2.244 10 0 BEAEMP C[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)[C@@H]1[NH3+] ZINC000169616747 385415706 /nfs/dbraw/zinc/41/57/06/385415706.db2.gz ZWBZAXCNTIOTLB-MBNYWOFBSA-N 2 1 218.344 2.244 10 0 BEAEMP c1csc(C[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000275521221 385456412 /nfs/dbraw/zinc/45/64/12/385456412.db2.gz LCNHZOQFRUTGOI-NSHDSACASA-N 2 1 247.367 2.297 10 0 BEAEMP Clc1c[nH+]ccc1N1CCC2(CC[NH2+]2)CC1 ZINC000335018592 385977986 /nfs/dbraw/zinc/97/79/86/385977986.db2.gz WCQCAVDPGVNRRT-UHFFFAOYSA-N 2 1 237.734 2.067 10 0 BEAEMP C[C@@H]1[N@@H+](Cc2ccccc2)CC[C@@]1([NH3+])C1CC1 ZINC000575568793 386111555 /nfs/dbraw/zinc/11/15/55/386111555.db2.gz OGUWHMQSYNAZPZ-WFASDCNBSA-N 2 1 230.355 2.388 10 0 BEAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](C[C@H]3CCC(F)(F)C3)C[C@H]12 ZINC000310379389 386179979 /nfs/dbraw/zinc/17/99/79/386179979.db2.gz GOOYSOJBRVWXMT-WHOHXGKFSA-N 2 1 244.329 2.091 10 0 BEAEMP C[C@]1(C[N@H+]2CCc3ccccc3C2)CC[NH2+]C1 ZINC000062910883 386531488 /nfs/dbraw/zinc/53/14/88/386531488.db2.gz QFRNEIPTURIHDI-HNNXBMFYSA-N 2 1 230.355 2.044 10 0 BEAEMP C[N@H+](Cc1cccc(F)c1)C[C@]1(C)CC[NH2+]C1 ZINC000062911022 386531798 /nfs/dbraw/zinc/53/17/98/386531798.db2.gz DHUCZEZBIXYBEX-CQSZACIVSA-N 2 1 236.334 2.257 10 0 BEAEMP C[N@@H+](Cc1cccc(F)c1)C[C@]1(C)CC[NH2+]C1 ZINC000062911022 386531807 /nfs/dbraw/zinc/53/18/07/386531807.db2.gz DHUCZEZBIXYBEX-CQSZACIVSA-N 2 1 236.334 2.257 10 0 BEAEMP C[C@]1(C[N@H+]2CC[C@H](c3ccccc3)C2)CC[NH2+]C1 ZINC000062912329 386533381 /nfs/dbraw/zinc/53/33/81/386533381.db2.gz MNRPAPMXGASSBW-HOTGVXAUSA-N 2 1 244.382 2.476 10 0 BEAEMP C[C@@H]1CC(C)(C)C[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000334854423 386905346 /nfs/dbraw/zinc/90/53/46/386905346.db2.gz MXRGYIRBIBGOLL-NEPJUHHUSA-N 2 1 210.365 2.106 10 0 BEAEMP Cc1ccc(N2CCC([NH2+]CC3CC3)CC2)[nH+]c1 ZINC000097604661 387251353 /nfs/dbraw/zinc/25/13/53/387251353.db2.gz GBNFXJVUDPUANH-UHFFFAOYSA-N 2 1 245.370 2.358 10 0 BEAEMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccco1 ZINC000422965502 387816307 /nfs/dbraw/zinc/81/63/07/387816307.db2.gz OXJFOHLXJSOMJC-YIBTVLSRSA-N 2 1 220.316 2.213 10 0 BEAEMP [NH3+]C/C=C1/CCC[N@@H+](Cc2ccccc2)C1 ZINC000069049971 388412577 /nfs/dbraw/zinc/41/25/77/388412577.db2.gz IHUXQCNNVONXCF-ZSOIEALJSA-N 2 1 216.328 2.168 10 0 BEAEMP CC1(C)CC(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)C1 ZINC000530220267 388631915 /nfs/dbraw/zinc/63/19/15/388631915.db2.gz TZBWJFCBNDHOCP-XQQFMLRXSA-N 2 1 222.376 2.092 10 0 BEAEMP C([C@@H]1CC[N@H+](C2CCC2)C1)[NH+]1CCCCC1 ZINC000178996705 134314127 /nfs/dbraw/zinc/31/41/27/134314127.db2.gz AOVURXQPVBVZKA-ZDUSSCGKSA-N 2 1 222.376 2.347 10 0 BEAEMP CCCn1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000226865295 134370614 /nfs/dbraw/zinc/37/06/14/134370614.db2.gz XTKCTGZYQUFEOM-ZFWWWQNUSA-N 2 1 249.402 2.470 10 0 BEAEMP CC(C)[C@@H]([NH3+])CNc1cc[nH+]cc1Cl ZINC000086840050 135097941 /nfs/dbraw/zinc/09/79/41/135097941.db2.gz ZWWFSZCZDNDADX-VIFPVBQESA-N 2 1 213.712 2.130 10 0 BEAEMP COc1ccccc1C[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000258611459 135132555 /nfs/dbraw/zinc/13/25/55/135132555.db2.gz AYXCZAPNZWRIBX-AWEZNQCLSA-N 2 1 248.370 2.254 10 0 BEAEMP COc1ccccc1C[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000258611459 135132557 /nfs/dbraw/zinc/13/25/57/135132557.db2.gz AYXCZAPNZWRIBX-AWEZNQCLSA-N 2 1 248.370 2.254 10 0 BEAEMP CC1(C)C[N@H+](Cc2cccc(F)c2)CC[C@H]1[NH3+] ZINC000258643292 135132802 /nfs/dbraw/zinc/13/28/02/135132802.db2.gz DBFIAQYOCSFKNZ-CYBMUJFWSA-N 2 1 236.334 2.385 10 0 BEAEMP CC1(C)C[N@@H+](Cc2cccc(F)c2)CC[C@H]1[NH3+] ZINC000258643292 135132803 /nfs/dbraw/zinc/13/28/03/135132803.db2.gz DBFIAQYOCSFKNZ-CYBMUJFWSA-N 2 1 236.334 2.385 10 0 BEAEMP CC1(C)C[N@H+](Cc2ccccc2F)CC[C@H]1[NH3+] ZINC000258795016 135133891 /nfs/dbraw/zinc/13/38/91/135133891.db2.gz MVEVIIHYXKTQES-CYBMUJFWSA-N 2 1 236.334 2.385 10 0 BEAEMP CC1(C)C[N@@H+](Cc2ccccc2F)CC[C@H]1[NH3+] ZINC000258795016 135133893 /nfs/dbraw/zinc/13/38/93/135133893.db2.gz MVEVIIHYXKTQES-CYBMUJFWSA-N 2 1 236.334 2.385 10 0 BEAEMP [NH3+]C[C@@H]1CC[N@@H+](C[C@H]2CCCC(F)(F)C2)C1 ZINC000261533068 135163883 /nfs/dbraw/zinc/16/38/83/135163883.db2.gz DMMMVAOWGRTAIL-QWRGUYRKSA-N 2 1 232.318 2.093 10 0 BEAEMP [NH3+]C[C@H]1CCC[N@@H+]1C[C@@H]1CCCC(F)(F)C1 ZINC000261533071 135163894 /nfs/dbraw/zinc/16/38/94/135163894.db2.gz FSBRYYUMRHERDW-GHMZBOCLSA-N 2 1 232.318 2.235 10 0 BEAEMP [NH3+]C[C@H]1CCC[N@H+]1C[C@@H]1CCCC(F)(F)C1 ZINC000261533071 135163895 /nfs/dbraw/zinc/16/38/95/135163895.db2.gz FSBRYYUMRHERDW-GHMZBOCLSA-N 2 1 232.318 2.235 10 0 BEAEMP [NH3+][C@@H]1CCC[N@H+](C[C@H]2CCCC(F)(F)C2)C1 ZINC000261533087 135163982 /nfs/dbraw/zinc/16/39/82/135163982.db2.gz KALUORYYDAPINQ-WDEREUQCSA-N 2 1 232.318 2.235 10 0 BEAEMP [NH3+][C@@H]1CCC[N@@H+](C[C@H]2CCCC(F)(F)C2)C1 ZINC000261533087 135163983 /nfs/dbraw/zinc/16/39/83/135163983.db2.gz KALUORYYDAPINQ-WDEREUQCSA-N 2 1 232.318 2.235 10 0 BEAEMP FC1(F)CCC[C@H](C[N@@H+]2CCC[NH2+]CC2)C1 ZINC000261533077 135164279 /nfs/dbraw/zinc/16/42/79/135164279.db2.gz GJKDQGRYZRRXAW-NSHDSACASA-N 2 1 232.318 2.107 10 0 BEAEMP FC1(F)CCC[C@H](C[N@H+]2CCC[NH2+]CC2)C1 ZINC000261533077 135164280 /nfs/dbraw/zinc/16/42/80/135164280.db2.gz GJKDQGRYZRRXAW-NSHDSACASA-N 2 1 232.318 2.107 10 0 BEAEMP [NH3+]C[C@H]1CC[N@@H+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC000261533066 135164305 /nfs/dbraw/zinc/16/43/05/135164305.db2.gz DMMMVAOWGRTAIL-GHMZBOCLSA-N 2 1 232.318 2.093 10 0 BEAEMP C[C@@H]1C[N@@H+](C[C@H]2CCCC(F)(F)C2)CC[C@H]1[NH3+] ZINC000261538121 135175162 /nfs/dbraw/zinc/17/51/62/135175162.db2.gz DVEGQXYBGFGWDQ-GRYCIOLGSA-N 2 1 246.345 2.481 10 0 BEAEMP C[NH2+]C[C@H]1CCC[N@@H+]1C[C@@H]1CCCC(F)(F)C1 ZINC000261538217 135175368 /nfs/dbraw/zinc/17/53/68/135175368.db2.gz SHSNVGWNJXGSBF-VXGBXAGGSA-N 2 1 246.345 2.496 10 0 BEAEMP C[NH2+]C[C@H]1CCC[N@H+]1C[C@@H]1CCCC(F)(F)C1 ZINC000261538217 135175369 /nfs/dbraw/zinc/17/53/69/135175369.db2.gz SHSNVGWNJXGSBF-VXGBXAGGSA-N 2 1 246.345 2.496 10 0 BEAEMP CC1(C)C[N@H+](Cc2ccsc2)CC[C@@H]1[NH3+] ZINC000261538672 135176663 /nfs/dbraw/zinc/17/66/63/135176663.db2.gz YWPYRAGQXCVXLS-NSHDSACASA-N 2 1 224.373 2.307 10 0 BEAEMP CC1(C)C[N@@H+](Cc2ccsc2)CC[C@@H]1[NH3+] ZINC000261538672 135176665 /nfs/dbraw/zinc/17/66/65/135176665.db2.gz YWPYRAGQXCVXLS-NSHDSACASA-N 2 1 224.373 2.307 10 0 BEAEMP C[C@H](c1ccccn1)[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261542719 135183233 /nfs/dbraw/zinc/18/32/33/135183233.db2.gz CJTHWMPULDOHPD-YPMHNXCESA-N 2 1 233.359 2.202 10 0 BEAEMP C[C@H](c1ccccn1)[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261542719 135183234 /nfs/dbraw/zinc/18/32/34/135183234.db2.gz CJTHWMPULDOHPD-YPMHNXCESA-N 2 1 233.359 2.202 10 0 BEAEMP CC1(C)CN(c2cc[nH+]cc2Cl)CC[C@H]1[NH3+] ZINC000261566882 135208849 /nfs/dbraw/zinc/20/88/49/135208849.db2.gz DRRUYGRXTOGROC-LLVKDONJSA-N 2 1 239.750 2.299 10 0 BEAEMP C[N@@H+](CCC[NH3+])C[C@H]1CCCCC1(F)F ZINC000381689384 397800242 /nfs/dbraw/zinc/80/02/42/397800242.db2.gz NHWLWOLIZPDACR-SNVBAGLBSA-N 2 1 220.307 2.093 10 0 BEAEMP CC[C@@H]1C[N@H+](C/C(C)=C/Cl)CC[C@@H]1[NH3+] ZINC000231993900 397988218 /nfs/dbraw/zinc/98/82/18/397988218.db2.gz DXTSYTWHGGURPP-FSZCPTMNSA-N 2 1 216.756 2.188 10 0 BEAEMP CC[C@@H]1C[N@@H+](C/C(C)=C/Cl)CC[C@@H]1[NH3+] ZINC000231993900 397988221 /nfs/dbraw/zinc/98/82/21/397988221.db2.gz DXTSYTWHGGURPP-FSZCPTMNSA-N 2 1 216.756 2.188 10 0 BEAEMP CC(C)[NH2+]C[C@@H](C)[NH+]1CCC(C)(C)CC1 ZINC000061823185 167110997 /nfs/dbraw/zinc/11/09/97/167110997.db2.gz BQTNKGKTCVBSEU-GFCCVEGCSA-N 2 1 212.381 2.495 10 0 BEAEMP CC(C)OCCC[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123670614 167209946 /nfs/dbraw/zinc/20/99/46/167209946.db2.gz FQWFLOFUINGXCW-UONOGXRCSA-N 2 1 242.407 2.216 10 0 BEAEMP CC(C)OCCC[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123670614 167209950 /nfs/dbraw/zinc/20/99/50/167209950.db2.gz FQWFLOFUINGXCW-UONOGXRCSA-N 2 1 242.407 2.216 10 0 BEAEMP CC(C)OCCC[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000123670614 167209952 /nfs/dbraw/zinc/20/99/52/167209952.db2.gz FQWFLOFUINGXCW-UONOGXRCSA-N 2 1 242.407 2.216 10 0 BEAEMP CC(C)OCCC[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000123670614 167209956 /nfs/dbraw/zinc/20/99/56/167209956.db2.gz FQWFLOFUINGXCW-UONOGXRCSA-N 2 1 242.407 2.216 10 0 BEAEMP CC(C)OCCC[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123671034 167213348 /nfs/dbraw/zinc/21/33/48/167213348.db2.gz FQWFLOFUINGXCW-KBPBESRZSA-N 2 1 242.407 2.216 10 0 BEAEMP CC(C)OCCC[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123671034 167213351 /nfs/dbraw/zinc/21/33/51/167213351.db2.gz FQWFLOFUINGXCW-KBPBESRZSA-N 2 1 242.407 2.216 10 0 BEAEMP CC(C)OCCC[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000123671034 167213355 /nfs/dbraw/zinc/21/33/55/167213355.db2.gz FQWFLOFUINGXCW-KBPBESRZSA-N 2 1 242.407 2.216 10 0 BEAEMP CC(C)OCCC[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000123671034 167213362 /nfs/dbraw/zinc/21/33/62/167213362.db2.gz FQWFLOFUINGXCW-KBPBESRZSA-N 2 1 242.407 2.216 10 0 BEAEMP COc1cccc([C@H](C)[N@@H+](C)CCC[NH3+])c1 ZINC000133210322 410435521 /nfs/dbraw/zinc/43/55/21/410435521.db2.gz IIOMZHSULXGDCF-NSHDSACASA-N 2 1 222.332 2.037 10 0 BEAEMP C[C@H](CCc1ccco1)[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000396591938 410891471 /nfs/dbraw/zinc/89/14/71/410891471.db2.gz UBXOCDAEGVRDNI-YRGRVCCFSA-N 2 1 236.359 2.331 10 0 BEAEMP CC(C)C[NH2+][C@H]1CCC[N@H+](CC(C)C)C1 ZINC000073652420 167015558 /nfs/dbraw/zinc/01/55/58/167015558.db2.gz WBCCGIXDLKVBPA-ZDUSSCGKSA-N 2 1 212.381 2.352 10 0 BEAEMP CC(C)C[NH2+][C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000073652420 167015562 /nfs/dbraw/zinc/01/55/62/167015562.db2.gz WBCCGIXDLKVBPA-ZDUSSCGKSA-N 2 1 212.381 2.352 10 0 BEAEMP CC(C)[NH2+]CC[C@@H](C)[N@@H+](C)CC1CCOCC1 ZINC000104196193 167108508 /nfs/dbraw/zinc/10/85/08/167108508.db2.gz VQTFXKQFFBRDFO-CYBMUJFWSA-N 2 1 242.407 2.121 10 0 BEAEMP CC(C)[NH2+]C[C@H](C)[NH+]1CCC(C)(C)CC1 ZINC000061823186 167113094 /nfs/dbraw/zinc/11/30/94/167113094.db2.gz BQTNKGKTCVBSEU-LBPRGKRZSA-N 2 1 212.381 2.495 10 0 BEAEMP CC(C)[NH2+]C[C@@H]1CC[N@@H+]([C@@H](C)c2ccccn2)C1 ZINC000053031134 167113424 /nfs/dbraw/zinc/11/34/24/167113424.db2.gz NZYGWWJZGVVEKZ-KBPBESRZSA-N 2 1 247.386 2.463 10 0 BEAEMP CC(C)[NH2+]C[C@@H]1CC[N@H+]([C@@H](C)c2ccccn2)C1 ZINC000053031134 167113425 /nfs/dbraw/zinc/11/34/25/167113425.db2.gz NZYGWWJZGVVEKZ-KBPBESRZSA-N 2 1 247.386 2.463 10 0 BEAEMP C[C@H](C[NH2+]C(C)(C)C)[NH+]1CCC(C)CC1 ZINC000052376865 168185857 /nfs/dbraw/zinc/18/58/57/168185857.db2.gz VRDJOQBVPKZWFA-GFCCVEGCSA-N 2 1 212.381 2.495 10 0 BEAEMP CC[NH2+]CCCCC[N@H+]1CCC[C@H](OCC)C1 ZINC000052372273 170111544 /nfs/dbraw/zinc/11/15/44/170111544.db2.gz MNTLKBXNZCOZAE-AWEZNQCLSA-N 2 1 242.407 2.267 10 0 BEAEMP CC[NH2+]C[C@@H](C)C[N@@H+](CCOC)C(CC)CC ZINC000052573307 170119003 /nfs/dbraw/zinc/11/90/03/170119003.db2.gz FSQPJVGYAHEPMC-CYBMUJFWSA-N 2 1 244.423 2.369 10 0 BEAEMP CC[NH2+]Cc1ccc(-n2cc[nH+]c2C)cc1 ZINC000034825316 170126405 /nfs/dbraw/zinc/12/64/05/170126405.db2.gz CRBGCMAQTCVDTG-UHFFFAOYSA-N 2 1 215.300 2.290 10 0 BEAEMP CC[NH2+]Cc1ccoc1C[N@@H+](C)CC(C)C ZINC000052452560 170129160 /nfs/dbraw/zinc/12/91/60/170129160.db2.gz SYEFDLSQTCUFJA-UHFFFAOYSA-N 2 1 224.348 2.477 10 0 BEAEMP CC[NH2+][C@@H]1CC[N@H+](C(C2CC2)C2CC2)C[C@@H]1C ZINC000049713707 170152347 /nfs/dbraw/zinc/15/23/47/170152347.db2.gz OVEFFKQXTGBDAM-SMDDNHRTSA-N 2 1 236.403 2.495 10 0 BEAEMP CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1[N@H+](C)CCCOC ZINC000062031196 170152496 /nfs/dbraw/zinc/15/24/96/170152496.db2.gz DYNWJXPWLATRHL-MCIONIFRSA-N 2 1 242.407 2.121 10 0 BEAEMP CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1[N@@H+](C)CCCOC ZINC000062031196 170152498 /nfs/dbraw/zinc/15/24/98/170152498.db2.gz DYNWJXPWLATRHL-MCIONIFRSA-N 2 1 242.407 2.121 10 0 BEAEMP CC[NH2+][C@H]1CCC[C@@H]1n1c[nH+]c(C)c1C ZINC000051926865 170166424 /nfs/dbraw/zinc/16/64/24/170166424.db2.gz HLANFZKLEPFFIH-RYUDHWBXSA-N 2 1 207.321 2.203 10 0 BEAEMP CC[NH2+][C@H]1CC[N@@H+](CC2CCC2)C[C@@H]1C ZINC000049710561 170166554 /nfs/dbraw/zinc/16/65/54/170166554.db2.gz NCPQFLMNBGKZBZ-AAEUAGOBSA-N 2 1 210.365 2.106 10 0 BEAEMP CC[NH2+][C@H]1CC[N@H+](CCc2ccncc2)[C@H](C)C1 ZINC000049712972 170167970 /nfs/dbraw/zinc/16/79/70/170167970.db2.gz YCCKUSVXGNFAOV-HIFRSBDPSA-N 2 1 247.386 2.087 10 0 BEAEMP CC[NH2+][C@H]1CC[N@@H+](CCc2ccncc2)[C@H](C)C1 ZINC000049712972 170167972 /nfs/dbraw/zinc/16/79/72/170167972.db2.gz YCCKUSVXGNFAOV-HIFRSBDPSA-N 2 1 247.386 2.087 10 0 BEAEMP CCOC1CC[NH+](CCC[NH2+]C(C)(C)C)CC1 ZINC000042361911 170332787 /nfs/dbraw/zinc/33/27/87/170332787.db2.gz PARNUDDYIQPJHC-UHFFFAOYSA-N 2 1 242.407 2.266 10 0 BEAEMP CCOCCC[NH2+]CC[N@@H+]1CCCC[C@@H]1CC ZINC000053375596 170380434 /nfs/dbraw/zinc/38/04/34/170380434.db2.gz UENDMRJWNWSSEU-AWEZNQCLSA-N 2 1 242.407 2.267 10 0 BEAEMP CCOCCC[NH2+]CC[N@H+]1CCCC[C@@H]1CC ZINC000053375596 170380436 /nfs/dbraw/zinc/38/04/36/170380436.db2.gz UENDMRJWNWSSEU-AWEZNQCLSA-N 2 1 242.407 2.267 10 0 BEAEMP CCOCCC[NH2+]C[C@@H](C)n1c[nH+]c(C)c1C ZINC000053535623 170380914 /nfs/dbraw/zinc/38/09/14/170380914.db2.gz KBSVVLNCVMWQKL-LLVKDONJSA-N 2 1 239.363 2.077 10 0 BEAEMP C[N@@H+](C[C@@H]1C[C@H]2C[C@H]2C1)[C@@H]1CCC[NH2+]CC1 ZINC000662267223 412058857 /nfs/dbraw/zinc/05/88/57/412058857.db2.gz RHHMSGADCUFWHH-XJFOESAGSA-N 2 1 222.376 2.106 10 0 BEAEMP C[N@@H+](CC1CC=CC1)[C@H]1CCC[NH2+]CC1 ZINC000662265439 412055377 /nfs/dbraw/zinc/05/53/77/412055377.db2.gz AMEOZQYKEUTOEK-ZDUSSCGKSA-N 2 1 208.349 2.027 10 0 BEAEMP CC[C@@H]1CC[N@H+](CCc2ccccc2)CC[NH2+]1 ZINC000049661487 171010674 /nfs/dbraw/zinc/01/06/74/171010674.db2.gz LCXPFIPNKONFKL-OAHLLOKOSA-N 2 1 232.371 2.303 10 0 BEAEMP CC[C@@H]1CC[N@@H+](CCc2ccccc2)CC[NH2+]1 ZINC000049661487 171010676 /nfs/dbraw/zinc/01/06/76/171010676.db2.gz LCXPFIPNKONFKL-OAHLLOKOSA-N 2 1 232.371 2.303 10 0 BEAEMP CC[C@@H]1CC[C@@H]([NH3+])[C@H]([N@H+](CCOC)C2CC2)C1 ZINC000042518158 171039757 /nfs/dbraw/zinc/03/97/57/171039757.db2.gz GTPLLROYJJQXPO-MRVWCRGKSA-N 2 1 240.391 2.003 10 0 BEAEMP CC[C@@H]1CC[C@@H]([NH3+])[C@H]([N@@H+](CCOC)C2CC2)C1 ZINC000042518158 171039758 /nfs/dbraw/zinc/03/97/58/171039758.db2.gz GTPLLROYJJQXPO-MRVWCRGKSA-N 2 1 240.391 2.003 10 0 BEAEMP CC[C@H](C)C[N@@H+](C)Cc1ccccc1C(N)=[NH2+] ZINC000037173367 171274176 /nfs/dbraw/zinc/27/41/76/171274176.db2.gz CWVJKWBQYCMXAN-NSHDSACASA-N 2 1 233.359 2.449 10 0 BEAEMP CC[C@H](C)C[NH2+]CC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000038019144 171284072 /nfs/dbraw/zinc/28/40/72/171284072.db2.gz VDRSPDRHYZNMNH-FUDCBSFHSA-N 2 1 224.392 2.495 10 0 BEAEMP CC[C@H](C)[N@@H+](CCOC)CCC1CC[NH2+]CC1 ZINC000042584312 171315102 /nfs/dbraw/zinc/31/51/02/171315102.db2.gz AUZZGHYEIFXEEA-ZDUSSCGKSA-N 2 1 242.407 2.123 10 0 BEAEMP CCc1[nH+]ccn1[C@H](C[NH3+])c1ccc(C)cc1 ZINC000042906818 172029720 /nfs/dbraw/zinc/02/97/20/172029720.db2.gz WVGBPOIEURIYDL-CYBMUJFWSA-N 2 1 229.327 2.302 10 0 BEAEMP CCc1[nH+]ccn1[C@@H]([C@@H](C)[NH3+])C(C)(C)C ZINC000043295089 172029899 /nfs/dbraw/zinc/02/98/99/172029899.db2.gz SDODAGVXDPROHW-KOLCDFICSA-N 2 1 209.337 2.380 10 0 BEAEMP CCc1[nH+]ccn1[C@@H]1CCCCC[C@H]1[NH3+] ZINC000042419731 172030000 /nfs/dbraw/zinc/03/00/00/172030000.db2.gz WCRCZJINVLDLRI-GHMZBOCLSA-N 2 1 207.321 2.278 10 0 BEAEMP C[N@H+]1CCCC[C@@H]1CC[NH2+]CC[C@@H]1CCCO1 ZINC000052205757 173005256 /nfs/dbraw/zinc/00/52/56/173005256.db2.gz WEBZJMYVZQPOHN-KGLIPLIRSA-N 2 1 240.391 2.020 10 0 BEAEMP C[N@H+]1CCC[C@@H]2C[NH+](CCC(C)(F)F)CC[C@H]21 ZINC000336203762 173035939 /nfs/dbraw/zinc/03/59/39/173035939.db2.gz PGPJLFCSSHKVMW-VXGBXAGGSA-N 2 1 246.345 2.448 10 0 BEAEMP C[NH+]1CCC[C@@H]2C[N@H+](CCC(C)(F)F)CC[C@H]21 ZINC000336203762 173035940 /nfs/dbraw/zinc/03/59/40/173035940.db2.gz PGPJLFCSSHKVMW-VXGBXAGGSA-N 2 1 246.345 2.448 10 0 BEAEMP C[NH+]1CCC[C@@H]2C[N@@H+](CCC(C)(F)F)CC[C@H]21 ZINC000336203762 173035942 /nfs/dbraw/zinc/03/59/42/173035942.db2.gz PGPJLFCSSHKVMW-VXGBXAGGSA-N 2 1 246.345 2.448 10 0 BEAEMP C[N@H+]1CCC[C@H](C[NH3+])[C@H]1c1ccccc1 ZINC000082380066 173042454 /nfs/dbraw/zinc/04/24/54/173042454.db2.gz XORZBVQTSUNZOY-CHWSQXEVSA-N 2 1 204.317 2.028 10 0 BEAEMP C[N@H+]1CC[C@@H]([NH3+])[C@H](Cc2ccc(Cl)cc2)C1 ZINC000082328974 173119160 /nfs/dbraw/zinc/11/91/60/173119160.db2.gz NMVIYJIRSMGZDN-DGCLKSJQSA-N 2 1 238.762 2.162 10 0 BEAEMP C[NH2+]C(C)(C)C[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000061319615 173319447 /nfs/dbraw/zinc/31/94/47/173319447.db2.gz CAPGJTFJYQCBSH-QWHCGFSZSA-N 2 1 224.392 2.497 10 0 BEAEMP C[NH2+]CC1(C[N@H+](C)Cc2ccncc2)CCCC1 ZINC000051218181 173337476 /nfs/dbraw/zinc/33/74/76/173337476.db2.gz AEPSXKMLXIJOFN-UHFFFAOYSA-N 2 1 247.386 2.293 10 0 BEAEMP C[NH2+]CC1(C[N@@H+](C)Cc2ccncc2)CCCC1 ZINC000051218181 173337478 /nfs/dbraw/zinc/33/74/78/173337478.db2.gz AEPSXKMLXIJOFN-UHFFFAOYSA-N 2 1 247.386 2.293 10 0 BEAEMP C[NH2+]CC1(C[N@H+]2CCCSCC2)CCCC1 ZINC000051284162 173337712 /nfs/dbraw/zinc/33/77/12/173337712.db2.gz SWRIXOGYWCMLMK-UHFFFAOYSA-N 2 1 242.432 2.205 10 0 BEAEMP C[NH2+]CC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000052382974 173357611 /nfs/dbraw/zinc/35/76/11/173357611.db2.gz IRUBLNOTGLEBQP-SNVBAGLBSA-N 2 1 224.373 2.104 10 0 BEAEMP C[NH2+]CC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000052382974 173357613 /nfs/dbraw/zinc/35/76/13/173357613.db2.gz IRUBLNOTGLEBQP-SNVBAGLBSA-N 2 1 224.373 2.104 10 0 BEAEMP C[NH2+]C[C@@H](c1ccccc1)n1cc[nH+]c1C ZINC000052576233 173366604 /nfs/dbraw/zinc/36/66/04/173366604.db2.gz XWZZRUGVWBFPQD-ZDUSSCGKSA-N 2 1 215.300 2.000 10 0 BEAEMP C[NH2+]C[C@H]1CC[N@H+]([C@@H]2CCOc3ccccc32)C1 ZINC000053035116 173381353 /nfs/dbraw/zinc/38/13/53/173381353.db2.gz KVPVMEZNRZCBIM-TZMCWYRMSA-N 2 1 246.354 2.052 10 0 BEAEMP C[NH2+]Cc1cc(C[N@H+]2CCC[C@H]2C)oc1C ZINC000052375709 173386576 /nfs/dbraw/zinc/38/65/76/173386576.db2.gz MIYFJIDKYNITLS-SNVBAGLBSA-N 2 1 222.332 2.292 10 0 BEAEMP C[NH2+]Cc1ccc(OCC[N@H+]2CC[C@H](C)C2)cc1 ZINC000052484487 173389011 /nfs/dbraw/zinc/38/90/11/173389011.db2.gz WEMZMYDDCAQJEG-ZDUSSCGKSA-N 2 1 248.370 2.127 10 0 BEAEMP C[NH2+]Cc1ccccc1OCC[N@H+]1CC[C@H](C)C1 ZINC000052484459 173390700 /nfs/dbraw/zinc/39/07/00/173390700.db2.gz AVQGNRXDPFEQLB-ZDUSSCGKSA-N 2 1 248.370 2.127 10 0 BEAEMP C[NH2+]Cc1occc1C[N@H+]1CCCC[C@@H]1C ZINC000052378739 173399950 /nfs/dbraw/zinc/39/99/50/173399950.db2.gz SCNQBOZTBSIJKU-NSHDSACASA-N 2 1 222.332 2.373 10 0 BEAEMP COCCC[N@H+]1CCC[C@H](C[NH2+]C(C)(C)C)C1 ZINC000053657333 174231615 /nfs/dbraw/zinc/23/16/15/174231615.db2.gz ATOJALFYAJEZOO-CYBMUJFWSA-N 2 1 242.407 2.123 10 0 BEAEMP COCC[N@@H+]([C@@H](C)CC[NH2+]C(C)(C)C)C1CC1 ZINC000052542569 174284490 /nfs/dbraw/zinc/28/44/90/174284490.db2.gz ACJBQMYCWODLDX-LBPRGKRZSA-N 2 1 242.407 2.264 10 0 BEAEMP COCC[N@H+](C1CC1)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000042518155 174285078 /nfs/dbraw/zinc/28/50/78/174285078.db2.gz FVVDHULZCBUFGZ-KBPBESRZSA-N 2 1 240.391 2.147 10 0 BEAEMP COCC[N@@H+](C1CC1)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000042518155 174285080 /nfs/dbraw/zinc/28/50/80/174285080.db2.gz FVVDHULZCBUFGZ-KBPBESRZSA-N 2 1 240.391 2.147 10 0 BEAEMP COCC[N@H+](C1CC1)[C@](C)(C[NH3+])CCC(C)C ZINC000042517892 174285643 /nfs/dbraw/zinc/28/56/43/174285643.db2.gz UWHWQOIWKRXBNB-AWEZNQCLSA-N 2 1 242.407 2.251 10 0 BEAEMP COCC[N@@H+](C1CC1)[C@](C)(C[NH3+])CCC(C)C ZINC000042517892 174285644 /nfs/dbraw/zinc/28/56/44/174285644.db2.gz UWHWQOIWKRXBNB-AWEZNQCLSA-N 2 1 242.407 2.251 10 0 BEAEMP COCC[N@@H+](CC(C)C)[C@H]1CCCCC[C@@H]1[NH3+] ZINC000042368743 174287803 /nfs/dbraw/zinc/28/78/03/174287803.db2.gz IHASKAHCLWZDAA-KBPBESRZSA-N 2 1 242.407 2.251 10 0 BEAEMP COc1ccc([C@H]([NH3+])[C@@H](C)n2cc[nH+]c2C)cc1 ZINC000023068844 175191797 /nfs/dbraw/zinc/19/17/97/175191797.db2.gz JMMOPHZCIRCFCH-QMTHXVAHSA-N 2 1 245.326 2.461 10 0 BEAEMP COc1cccc([C@H](C)[N@H+]2C[C@H](C[NH3+])C[C@H]2C)c1 ZINC000131456165 175292454 /nfs/dbraw/zinc/29/24/54/175292454.db2.gz MHULZIDFKNLKME-AGIUHOORSA-N 2 1 248.370 2.425 10 0 BEAEMP COc1cccc([C@H]([C@@H](C)[NH3+])n2cc[nH+]c2C)c1 ZINC000043028780 175296312 /nfs/dbraw/zinc/29/63/12/175296312.db2.gz ATYJWLYQLZZOIN-YGRLFVJLSA-N 2 1 245.326 2.137 10 0 BEAEMP COc1ccccc1C[N@@H+](C)[C@H](C)CCC[NH3+] ZINC000052542274 175326408 /nfs/dbraw/zinc/32/64/08/175326408.db2.gz QOCKSKHHRDOPCU-GFCCVEGCSA-N 2 1 236.359 2.254 10 0 BEAEMP C[C@@H](c1cccc(O)c1)[N@H+](C)CCC[NH+](C)C ZINC000168105017 176019126 /nfs/dbraw/zinc/01/91/26/176019126.db2.gz NHOPJOFSAYRHPZ-LBPRGKRZSA-N 2 1 236.359 2.337 10 0 BEAEMP C[C@@H](c1cccc(O)c1)[N@@H+](C)CCC[NH+](C)C ZINC000168105017 176019128 /nfs/dbraw/zinc/01/91/28/176019128.db2.gz NHOPJOFSAYRHPZ-LBPRGKRZSA-N 2 1 236.359 2.337 10 0 BEAEMP C[C@@H](c1ccco1)[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000095068222 176031562 /nfs/dbraw/zinc/03/15/62/176031562.db2.gz GVTKPXADRRXCPK-NWDGAFQWSA-N 2 1 222.332 2.272 10 0 BEAEMP C[C@@H](c1ccco1)[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000095068222 176031563 /nfs/dbraw/zinc/03/15/63/176031563.db2.gz GVTKPXADRRXCPK-NWDGAFQWSA-N 2 1 222.332 2.272 10 0 BEAEMP C[C@@H](c1cccs1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044527592 176034353 /nfs/dbraw/zinc/03/43/53/176034353.db2.gz MIHDNGGEPCMZHF-WDEREUQCSA-N 2 1 224.373 2.480 10 0 BEAEMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH3+])o1 ZINC000052378726 176072848 /nfs/dbraw/zinc/07/28/48/176072848.db2.gz DWMHOKLAUNIGJR-SNVBAGLBSA-N 2 1 208.305 2.113 10 0 BEAEMP C[C@@H]1CCCC[C@H]1[N@@H+](C)C1(CN)CCOCC1 ZINC000042606719 176085530 /nfs/dbraw/zinc/08/55/30/176085530.db2.gz NWYUYCAJYRMMJT-CHWSQXEVSA-N 2 1 240.391 2.005 10 0 BEAEMP C[C@@H]1CCC[N@@H+](C[C@@H](C[NH3+])c2ccccc2)C1 ZINC000035731288 176099906 /nfs/dbraw/zinc/09/99/06/176099906.db2.gz BKHQVEDNCZWDCA-UKRRQHHQSA-N 2 1 232.371 2.461 10 0 BEAEMP C[C@@H]1CCC[N@H+]1Cc1ccc(C[NH3+])cc1 ZINC000037910043 176107959 /nfs/dbraw/zinc/10/79/59/176107959.db2.gz KFZSYVRGFMGCJC-LLVKDONJSA-N 2 1 204.317 2.130 10 0 BEAEMP C[C@@H]1CCC[N@H+]1CCOc1ccc(CC[NH3+])cc1 ZINC000037910099 176108742 /nfs/dbraw/zinc/10/87/42/176108742.db2.gz OVEZQRHSBZZLIE-CYBMUJFWSA-N 2 1 248.370 2.051 10 0 BEAEMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccoc2C[NH3+])C1 ZINC000052420666 176362032 /nfs/dbraw/zinc/36/20/32/176362032.db2.gz KQUWQTLHPQKKMX-GHMZBOCLSA-N 2 1 222.332 2.216 10 0 BEAEMP C[C@H](c1ccco1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044527636 177049485 /nfs/dbraw/zinc/04/94/85/177049485.db2.gz QIXMJKHXVYDBKK-GHMZBOCLSA-N 2 1 208.305 2.011 10 0 BEAEMP C[C@@H]1CC[C@H]([NH3+])[C@H](C[N@H+]2CCC[C@H](C)C2)C1 ZINC000053861892 177099735 /nfs/dbraw/zinc/09/97/35/177099735.db2.gz XJBGICIFSPYZCA-RFGFWPKPSA-N 2 1 224.392 2.482 10 0 BEAEMP C[C@H]1CCC[N@H+]1CCOc1cccc(C[NH3+])c1 ZINC000038000062 177109531 /nfs/dbraw/zinc/10/95/31/177109531.db2.gz SMLNHNFZEYHQJL-LBPRGKRZSA-N 2 1 234.343 2.008 10 0 BEAEMP C[C@H]1CCC[N@@H+]1[C@@H](CN)c1ccc2c(c1)CCO2 ZINC000037910244 177111533 /nfs/dbraw/zinc/11/15/33/177111533.db2.gz FNCNCTBWXRXKDH-FZMZJTMJSA-N 2 1 246.354 2.106 10 0 BEAEMP C[C@H]1CCC[N@H+]1[C@@H](CN)c1ccc2c(c1)CCO2 ZINC000037910244 177111535 /nfs/dbraw/zinc/11/15/35/177111535.db2.gz FNCNCTBWXRXKDH-FZMZJTMJSA-N 2 1 246.354 2.106 10 0 BEAEMP C[C@@H]1C[NH2+][C@@H](C)CC[N@H+](C2CCCC2)C1 ZINC000049664901 177157103 /nfs/dbraw/zinc/15/71/03/177157103.db2.gz MCLAAKBEXZEIDJ-NEPJUHHUSA-N 2 1 210.365 2.249 10 0 BEAEMP C[C@H]1CC[N@@H+](CC2CCCC2)CCC[NH2+]1 ZINC000049666003 177159013 /nfs/dbraw/zinc/15/90/13/177159013.db2.gz QVCYXJWECYHROR-LBPRGKRZSA-N 2 1 210.365 2.251 10 0 BEAEMP C[C@H]1CC[N@@H+](CCOC2CCCC2)CCC[NH2+]1 ZINC000111763018 177161300 /nfs/dbraw/zinc/16/13/00/177161300.db2.gz RVRWYYPNTDCZFL-ZDUSSCGKSA-N 2 1 240.391 2.020 10 0 BEAEMP C[C@@H]1C[NH2+][C@@H](C)CC[N@@H+](CCc2ccco2)C1 ZINC000049667382 177161932 /nfs/dbraw/zinc/16/19/32/177161932.db2.gz FCJGCSKQEFAFQN-OLZOCXBDSA-N 2 1 236.359 2.142 10 0 BEAEMP C[C@@H]1CC[N@@H+](Cc2ccco2)CC[C@H](C)[NH2+]1 ZINC000049664334 177164440 /nfs/dbraw/zinc/16/44/40/177164440.db2.gz MYTLHYOZKAFUTN-TXEJJXNPSA-N 2 1 222.332 2.242 10 0 BEAEMP C[C@@H]1CC[N@H+](Cc2ccco2)CC[C@H](C)[NH2+]1 ZINC000049664334 177164442 /nfs/dbraw/zinc/16/44/42/177164442.db2.gz MYTLHYOZKAFUTN-TXEJJXNPSA-N 2 1 222.332 2.242 10 0 BEAEMP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1ccsc1 ZINC000042427468 177189224 /nfs/dbraw/zinc/18/92/24/177189224.db2.gz DPFOMVJJLYPKFN-QWRGUYRKSA-N 2 1 224.373 2.307 10 0 BEAEMP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1CCC(C)(C)C ZINC000042427492 177200611 /nfs/dbraw/zinc/20/06/11/177200611.db2.gz UQKOUERYGKPTGQ-NWDGAFQWSA-N 2 1 212.381 2.482 10 0 BEAEMP C[C@H]1C[NH2+]CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000049665267 177282055 /nfs/dbraw/zinc/28/20/55/177282055.db2.gz IIVRWRNDPQRXJJ-LBPRGKRZSA-N 2 1 236.334 2.257 10 0 BEAEMP C[C@H]1C[NH2+]CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000049665267 177282056 /nfs/dbraw/zinc/28/20/56/177282056.db2.gz IIVRWRNDPQRXJJ-LBPRGKRZSA-N 2 1 236.334 2.257 10 0 BEAEMP C[C@@H]1C[C@H](C)C[N@H+](CC2(C[NH3+])CCC2)C1 ZINC000058082580 177313687 /nfs/dbraw/zinc/31/36/87/177313687.db2.gz SNQOPQGTOHNXKQ-TXEJJXNPSA-N 2 1 210.365 2.093 10 0 BEAEMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C(N)=[NH2+])C1 ZINC000019513399 177315268 /nfs/dbraw/zinc/31/52/68/177315268.db2.gz ULFKHFVUPISGIZ-TXEJJXNPSA-N 2 1 245.370 2.449 10 0 BEAEMP c1ccc2c(c1)cc[nH+]c2NC1CC[NH2+]CC1 ZINC000082765861 487727484 /nfs/dbraw/zinc/72/74/84/487727484.db2.gz UEOKVKFBJUFFPM-UHFFFAOYSA-N 2 1 227.311 2.399 10 0 BEAEMP CC(C)[C@H](C)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000164376188 487827272 /nfs/dbraw/zinc/82/72/72/487827272.db2.gz UEHYAJPLXYWUHC-RVMXOQNASA-N 2 1 210.365 2.090 10 0 BEAEMP C[C@H](CC1CCC1)[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000666887470 487898285 /nfs/dbraw/zinc/89/82/85/487898285.db2.gz QWKBORHGOVMIBX-MDZLAQPJSA-N 2 1 210.365 2.295 10 0 BEAEMP COCC[C@H](C)[NH2+]C[C@H]1CCC[N@@H+]1CC(C)C ZINC000155211839 326189319 /nfs/dbraw/zinc/18/93/19/326189319.db2.gz QHKZCZALWSINET-UONOGXRCSA-N 2 1 242.407 2.121 10 0 BEAEMP COCC[C@H](C)[NH2+]C[C@H]1CCC[N@H+]1CC(C)C ZINC000155211839 326189322 /nfs/dbraw/zinc/18/93/22/326189322.db2.gz QHKZCZALWSINET-UONOGXRCSA-N 2 1 242.407 2.121 10 0 BEAEMP CC(C)(CC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1)C1CC1 ZINC000406020590 487495571 /nfs/dbraw/zinc/49/55/71/487495571.db2.gz 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/nfs/dbraw/zinc/52/04/91/582520491.db2.gz HLBZKTVQQGJEBU-AWEZNQCLSA-N 2 1 240.391 2.367 10 0 BEAEMP CC[C@@]1(C)CCOC2(CC[NH+](C3CC3)CC2)[NH2+]1 ZINC000757152463 582536682 /nfs/dbraw/zinc/53/66/82/582536682.db2.gz SKQSEEYLHHQKJR-ZDUSSCGKSA-N 2 1 238.375 2.120 10 0 BEAEMP CC(C)C[N@H+]1CC[C@@H]([NH+]2CCCC2)[C@H](C)C1 ZINC000242495598 519730886 /nfs/dbraw/zinc/73/08/86/519730886.db2.gz GKTCJDLUNONRIG-ZIAGYGMSSA-N 2 1 224.392 2.449 10 0 BEAEMP C[C@@H]1[C@H]([NH3+])CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000238854465 525699652 /nfs/dbraw/zinc/69/96/52/525699652.db2.gz NWKPWPVTPIKZQR-SGMGOOAPSA-N 2 1 218.344 2.244 10 0 BEAEMP CC(C)(C[NH2+][C@@H]1CC[NH2+]C1)C1=CCCC1 ZINC000308756146 527179442 /nfs/dbraw/zinc/17/94/42/527179442.db2.gz MXNJBFHGGQHPHJ-GFCCVEGCSA-N 2 1 208.349 2.074 10 0 BEAEMP CCC[N@H+]1CC[C@@H]([NH+](CC)CC)[C@@H](C)C1 ZINC000226858340 534949942 /nfs/dbraw/zinc/94/99/42/534949942.db2.gz XFKDNNXXXRQXHS-QWHCGFSZSA-N 2 1 212.381 2.449 10 0 BEAEMP CCC[N@H+]1CC[C@H]([NH+]2CCCC2)[C@@H](C)C1 ZINC000226858159 534958789 /nfs/dbraw/zinc/95/87/89/534958789.db2.gz LSFDYFLOEXRDQN-STQMWFEESA-N 2 1 210.365 2.203 10 0 BEAEMP CCn1cccc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000226866132 536102205 /nfs/dbraw/zinc/10/22/05/536102205.db2.gz HOPRZXZTNGJQFO-QWHCGFSZSA-N 2 1 235.375 2.080 10 0 BEAEMP CCn1cccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000226866132 536102209 /nfs/dbraw/zinc/10/22/09/536102209.db2.gz HOPRZXZTNGJQFO-QWHCGFSZSA-N 2 1 235.375 2.080 10 0 BEAEMP C[C@@H]1CC[C@H](C)[N@H+](C2[C@@H](C)C[NH2+]C[C@@H]2C)C1 ZINC000685951927 566486763 /nfs/dbraw/zinc/48/67/63/566486763.db2.gz ZHSYTKMHYMPGNI-VOAKCMCISA-N 2 1 224.392 2.351 10 0 BEAEMP C[C@@H]1CC[C@@H](C)[N@H+]([C@H]2[C@H](C)C[NH2+]C[C@@H]2C)C1 ZINC000685951926 566486900 /nfs/dbraw/zinc/48/69/00/566486900.db2.gz ZHSYTKMHYMPGNI-RGDJUOJXSA-N 2 1 224.392 2.351 10 0 BEAEMP CC(C)C[N@H+]1CCC[C@]12CCC[NH2+][C@H]2C ZINC000757124322 582499639 /nfs/dbraw/zinc/49/96/39/582499639.db2.gz CFOLKHFBJXSDBV-STQMWFEESA-N 2 1 210.365 2.249 10 0 BEAEMP C(C[N@H+]1CCC[C@@]12CCC[NH2+]C2)C1CCC1 ZINC000757128227 582502972 /nfs/dbraw/zinc/50/29/72/582502972.db2.gz JOBIFEYFMRYXCI-CQSZACIVSA-N 2 1 222.376 2.395 10 0 BEAEMP C[C@@H](C1CC1)[N@H+]1CCC[C@]12C[NH2+]C[C@@H](C)C2 ZINC000757131237 582505767 /nfs/dbraw/zinc/50/57/67/582505767.db2.gz PXKVBVDERKLGGI-OBJOEFQTSA-N 2 1 222.376 2.249 10 0 BEAEMP C[N@H+]1CCC[C@@]2(CC1)[NH2+]CC(C)(C)C(C)(C)O2 ZINC000757138392 582517944 /nfs/dbraw/zinc/51/79/44/582517944.db2.gz CAILFRSKEOGFNT-CQSZACIVSA-N 2 1 240.391 2.223 10 0 BEAEMP CCC1(CC)CC[NH2+][C@]2(CCC[N@@H+](C)CC2)O1 ZINC000757139789 582520462 /nfs/dbraw/zinc/52/04/62/582520462.db2.gz HLBZKTVQQGJEBU-CQSZACIVSA-N 2 1 240.391 2.367 10 0 BEAEMP CC1(c2ccc([C@@H]3CC[NH2+]C[C@H]3[NH3+])cc2)CC1 ZINC000757213018 582561040 /nfs/dbraw/zinc/56/10/40/582561040.db2.gz KRUKZVWMEUXDGR-UONOGXRCSA-N 2 1 230.355 2.142 10 0 BEAEMP Cc1ccc(C)c([C@@H]2C[C@H]([NH3+])CC[N@@H+]2C)c1 ZINC000211432128 583441595 /nfs/dbraw/zinc/44/15/95/583441595.db2.gz ITKFKCMRZDXVOC-OCCSQVGLSA-N 2 1 218.344 2.397 10 0 BEAEMP CC(C)C[N@H+]1CCC[C@]12C[NH2+]C[C@@H](C)C2 ZINC000757133725 586427054 /nfs/dbraw/zinc/42/70/54/586427054.db2.gz UAOGOGXWNSLEPY-STQMWFEESA-N 2 1 210.365 2.106 10 0 BEAEMP C[C@@H]1C[C@@H]([NH3+])C[NH2+][C@H]1c1cccc2cc[nH]c21 ZINC000757218278 586441818 /nfs/dbraw/zinc/44/18/18/586441818.db2.gz UVPNDTQWTUYJTK-IRUJWGPZSA-N 2 1 229.327 2.166 10 0 BEAEMP [NH3+]C[C@H]1C[C@@H](c2cscc2C(F)F)CC[NH2+]1 ZINC000757234300 586443337 /nfs/dbraw/zinc/44/33/37/586443337.db2.gz KMIGZLYMDDDCPL-JGVFFNPUSA-N 2 1 246.326 2.480 10 0 BEAEMP [NH3+]C[C@H]1C[C@H](c2cscc2C(F)F)CC[NH2+]1 ZINC000757234237 586443357 /nfs/dbraw/zinc/44/33/57/586443357.db2.gz KMIGZLYMDDDCPL-HTQZYQBOSA-N 2 1 246.326 2.480 10 0 BEAEMP CCC(CC)C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000129185103 638704818 /nfs/dbraw/zinc/70/48/18/638704818.db2.gz ROVTWRBUJWSQQL-YPMHNXCESA-N 2 1 212.381 2.339 10 0 BEAEMP C[C@H](C[NH2+]Cc1ccoc1)C[NH+]1CCCCC1 ZINC000062103686 641020751 /nfs/dbraw/zinc/02/07/51/641020751.db2.gz YKDNSLVKGOGLSA-CYBMUJFWSA-N 2 1 236.359 2.491 10 0 BEAEMP CC(C)[C@@H](C)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000319400482 641604320 /nfs/dbraw/zinc/60/43/20/641604320.db2.gz MBPWGJACSGWZFW-GFCCVEGCSA-N 2 1 210.365 2.106 10 0 BEAEMP C[C@@H]1C[N@H+]([C@@H]2C[C@@H]2c2ccccc2)CC[C@@H]1[NH3+] ZINC000044677453 643547836 /nfs/dbraw/zinc/54/78/36/643547836.db2.gz YIRKCKKSGODIAD-REBRKWNGSA-N 2 1 230.355 2.212 10 0 BEAEMP CCCCCC[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000134208759 711491521 /nfs/dbraw/zinc/49/15/21/711491521.db2.gz LXBYDYCJZDIIMM-OLZOCXBDSA-N 2 1 212.381 2.483 10 0 BEAEMP CC(F)(F)CCC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000718574251 711661280 /nfs/dbraw/zinc/66/12/80/711661280.db2.gz YYWKZCDTFGPJFE-HBNTYKKESA-N 2 1 232.318 2.091 10 0 BEAEMP CCCCCC[N@H+]1C[C@H](OC)C[C@@]1(C)C[NH3+] ZINC000708942247 712203157 /nfs/dbraw/zinc/20/31/57/712203157.db2.gz BMLCGBXDVQGCGU-OLZOCXBDSA-N 2 1 228.380 2.005 10 0 BEAEMP C[N@@H+](CCCCCC[NH3+])Cc1cccnc1 ZINC000036771398 712494544 /nfs/dbraw/zinc/49/45/44/712494544.db2.gz RKCZNJZTQUFOAQ-UHFFFAOYSA-N 2 1 221.348 2.033 10 0 BEAEMP CCC[N@H+]1CC[C@H]([NH3+])C12CCC(F)(F)CC2 ZINC000685952583 538896479 /nfs/dbraw/zinc/89/64/79/538896479.db2.gz AOOYVXKQBRWLNU-JTQLQIEISA-N 2 1 232.318 2.378 10 0 BEAEMP CC[N@H+]1CC[C@H]([NH3+])[C@@]12C[C@H](C)C[C@H](C)C2 ZINC000685953100 538897378 /nfs/dbraw/zinc/89/73/78/538897378.db2.gz GBUWERBLNYSNPA-QNWHQSFQSA-N 2 1 210.365 2.234 10 0 BEAEMP CCCc1ccc([C@@H]2C[NH2+]C[C@]2(C)[NH3+])cc1 ZINC000685965358 538912104 /nfs/dbraw/zinc/91/21/04/538912104.db2.gz BALJASYZGZYNFY-KBPBESRZSA-N 2 1 218.344 2.043 10 0 BEAEMP CCC(CC)(C[NH3+])C[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000051252586 168323173 /nfs/dbraw/zinc/32/31/73/168323173.db2.gz YVXBRSFJVLJHPL-QWHCGFSZSA-N 2 1 240.391 2.005 10 0 BEAEMP CCC[C@@H]1C[C@H]1[NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000378712574 346812433 /nfs/dbraw/zinc/81/24/33/346812433.db2.gz VDUPWUSEVQNAQH-AAVRWANBSA-N 2 1 224.392 2.495 10 0 BEAEMP Cc1cc(NCCC[NH3+])[nH+]c2ccccc12 ZINC000019721383 178159400 /nfs/dbraw/zinc/15/94/00/178159400.db2.gz GGKZMFQRLGAUPG-UHFFFAOYSA-N 2 1 215.300 2.304 10 0 BEAEMP Cc1cc(NCc2cccc(C[NH3+])c2)nc(C)[nH+]1 ZINC000037756787 178172520 /nfs/dbraw/zinc/17/25/20/178172520.db2.gz DCHCGWHWQSJLNQ-UHFFFAOYSA-N 2 1 242.326 2.164 10 0 BEAEMP FC1(F)CCCC[C@@H]1C[N@@H+]1CCC[NH2+]CC1 ZINC000381729040 398254840 /nfs/dbraw/zinc/25/48/40/398254840.db2.gz SLDWPTHUWFQBKQ-LLVKDONJSA-N 2 1 232.318 2.107 10 0 BEAEMP FC1(F)CCCC[C@@H]1C[N@H+]1CCC[NH2+]CC1 ZINC000381729040 398254841 /nfs/dbraw/zinc/25/48/41/398254841.db2.gz SLDWPTHUWFQBKQ-LLVKDONJSA-N 2 1 232.318 2.107 10 0 BEAEMP CCC(CC)N(CC[NH3+])c1cc(C)[nH+]c(C)n1 ZINC000104312925 168372340 /nfs/dbraw/zinc/37/23/40/168372340.db2.gz INDXVSFAYDPOED-UHFFFAOYSA-N 2 1 236.363 2.047 10 0 BEAEMP CCC(CC)[N@@H+](CCO)CCC[NH2+]C(C)(C)C ZINC000042513784 168374436 /nfs/dbraw/zinc/37/44/36/168374436.db2.gz QHNJTIHNURCOHX-UHFFFAOYSA-N 2 1 244.423 2.248 10 0 BEAEMP C[C@@H]1C[N@@H+](C[C@H]2CCCCC2(F)F)CC[C@H]1[NH3+] ZINC000381623635 398267158 /nfs/dbraw/zinc/26/71/58/398267158.db2.gz SUDJKLNVDHTOSJ-IJLUTSLNSA-N 2 1 246.345 2.481 10 0 BEAEMP C[C@]1(C[NH3+])CC[N@@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000381690694 398269548 /nfs/dbraw/zinc/26/95/48/398269548.db2.gz NKWPOQMYGBDPDQ-NWDGAFQWSA-N 2 1 246.345 2.483 10 0 BEAEMP CCC(CC)[N@@H+](CCOC)[C@](C)(CN)C(C)C ZINC000042681767 168375229 /nfs/dbraw/zinc/37/52/29/168375229.db2.gz GHTHABASPPICER-CQSZACIVSA-N 2 1 244.423 2.497 10 0 BEAEMP C[NH2+]CCC[N@@H+](C)C[C@H]1CCCCC1(F)F ZINC000381752828 398271162 /nfs/dbraw/zinc/27/11/62/398271162.db2.gz WCZCIUIDEFHICB-LLVKDONJSA-N 2 1 234.334 2.353 10 0 BEAEMP CCC(CC)[NH2+]C[C@H]1CCn2cc[nH+]c2C1 ZINC000364606898 168388536 /nfs/dbraw/zinc/38/85/36/168388536.db2.gz OYGUOGQOWNQFKI-NSHDSACASA-N 2 1 221.348 2.224 10 0 BEAEMP C/C(=C/Cl)C[N@@H+]1C[C@H](C)[C@@](C)(C[NH3+])C1 ZINC000308471707 346875519 /nfs/dbraw/zinc/87/55/19/346875519.db2.gz IZPRHUSWZDKHAP-XXLCQIKASA-N 2 1 216.756 2.046 10 0 BEAEMP CCCC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037916080 398335271 /nfs/dbraw/zinc/33/52/71/398335271.db2.gz YXOKMQJJFIBUQN-STQMWFEESA-N 2 1 210.365 2.251 10 0 BEAEMP CC[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)C1CC1 ZINC000211934052 343017234 /nfs/dbraw/zinc/01/72/34/343017234.db2.gz SABYSSJBJRPWRZ-UHFFFAOYSA-N 2 1 230.355 2.317 10 0 BEAEMP C([C@@H]1CCCC[NH2+]1)[N@@H+]1CC2CCC1CC2 ZINC000237995884 343222353 /nfs/dbraw/zinc/22/23/53/343222353.db2.gz GTFPMPIUGWMCNZ-CPCZMJQVSA-N 2 1 208.349 2.003 10 0 BEAEMP C([C@@H]1CCCC[NH2+]1)[N@H+]1CC2CCC1CC2 ZINC000237995884 343222356 /nfs/dbraw/zinc/22/23/56/343222356.db2.gz GTFPMPIUGWMCNZ-CPCZMJQVSA-N 2 1 208.349 2.003 10 0 BEAEMP C[C@@H]([NH2+][C@H]1CCC[NH2+][C@H]1C)[C@@H]1CC1(C)C ZINC000397670615 262929209 /nfs/dbraw/zinc/92/92/09/262929209.db2.gz QDGOGMBTHLEUFQ-RHYQMDGZSA-N 2 1 210.365 2.151 10 0 BEAEMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C1(C)CC1 ZINC000130219178 136372601 /nfs/dbraw/zinc/37/26/01/136372601.db2.gz XFXDIWCKFYAMSY-RWMBFGLXSA-N 2 1 222.376 2.391 10 0 BEAEMP [NH3+][C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000043642007 343479616 /nfs/dbraw/zinc/47/96/16/343479616.db2.gz IFQRFSKEHYUZAT-ILXRZTDVSA-N 2 1 230.355 2.246 10 0 BEAEMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H](C)[C@H]2C[C@H]2C)C1 ZINC000321657778 343503919 /nfs/dbraw/zinc/50/39/19/343503919.db2.gz WHVICIVLOGPDPJ-RQJABVFESA-N 2 1 224.392 2.351 10 0 BEAEMP C[C@@H]1C[C@@]2(CC[N@@H+]1C)NCCc1ccsc12 ZINC000712553354 537792908 /nfs/dbraw/zinc/79/29/08/537792908.db2.gz RCSQXFGBYHOGMZ-ZWNOBZJWSA-N 2 1 236.384 2.203 10 0 BEAEMP C[C@@H]1C[C@@]2(CC[N@H+]1C)NCCc1ccsc12 ZINC000712553354 537792914 /nfs/dbraw/zinc/79/29/14/537792914.db2.gz RCSQXFGBYHOGMZ-ZWNOBZJWSA-N 2 1 236.384 2.203 10 0 BEAEMP CC[C@H]([NH2+]C[C@@H](C)[NH+](CC)CC)C1CC1 ZINC000127662992 344201191 /nfs/dbraw/zinc/20/11/91/344201191.db2.gz COGKCRGXSMALCU-YPMHNXCESA-N 2 1 212.381 2.495 10 0 BEAEMP CCC[C@H]1C[C@@H]1[NH2+]C1CC[NH+](CC)CC1 ZINC000132289322 344297172 /nfs/dbraw/zinc/29/71/72/344297172.db2.gz CFRBCQNEUVAZNW-AAEUAGOBSA-N 2 1 210.365 2.249 10 0 BEAEMP C[C@@H]1C[N@@H+](CC2CCC(C)CC2)C[C@H]1C[NH3+] ZINC000634998823 345199714 /nfs/dbraw/zinc/19/97/14/345199714.db2.gz LNMBPUFFIDWKEM-FKZOYECMSA-N 2 1 224.392 2.339 10 0 BEAEMP C[C@H]1C[N@@H+](C[C@H]2CCC[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000634999736 345200755 /nfs/dbraw/zinc/20/07/55/345200755.db2.gz YKJLQUOWKUPZSJ-ZOBORPQBSA-N 2 1 224.392 2.339 10 0 BEAEMP Cc1ccc2c(c1)C=C(C[C@H]([NH3+])C[NH3+])CC2 ZINC000034482116 345835331 /nfs/dbraw/zinc/83/53/31/345835331.db2.gz PTMQQFIDAOXRNJ-AWEZNQCLSA-N 2 1 216.328 2.001 10 0 BEAEMP Cc1cccc(C[N@H+](CCC(N)=[NH2+])C2CC2)c1 ZINC000042547931 179070874 /nfs/dbraw/zinc/07/08/74/179070874.db2.gz SSVCZOMTXJITSK-UHFFFAOYSA-N 2 1 231.343 2.285 10 0 BEAEMP Cc1cccc(C[N@@H+](CCC(N)=[NH2+])C2CC2)c1 ZINC000042547931 179070877 /nfs/dbraw/zinc/07/08/77/179070877.db2.gz SSVCZOMTXJITSK-UHFFFAOYSA-N 2 1 231.343 2.285 10 0 BEAEMP Cc1cccc(C[N@H+](C)C[C@]2(C)CC[NH2+]C2)c1 ZINC000062911515 179066752 /nfs/dbraw/zinc/06/67/52/179066752.db2.gz LSKQNTSSSHNNEI-OAHLLOKOSA-N 2 1 232.371 2.426 10 0 BEAEMP Cc1cccc(N[C@H](C)CCCC[NH3+])[nH+]1 ZINC000336682153 179155971 /nfs/dbraw/zinc/15/59/71/179155971.db2.gz JFKCESPYOMYJHR-SNVBAGLBSA-N 2 1 207.321 2.319 10 0 BEAEMP Cc1[nH+]ccn1[C@@H](c1cccc(C)c1)[C@H](C)[NH3+] ZINC000042967755 179188741 /nfs/dbraw/zinc/18/87/41/179188741.db2.gz MFJMNCYZUBVVNS-SMDDNHRTSA-N 2 1 229.327 2.437 10 0 BEAEMP CC[C@H]([NH3+])[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000037116223 348021017 /nfs/dbraw/zinc/02/10/17/348021017.db2.gz ASHOEEGDBJWQIN-AAEUAGOBSA-N 2 1 206.333 2.244 10 0 BEAEMP CC[C@H]([NH3+])[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000037116223 348021019 /nfs/dbraw/zinc/02/10/19/348021019.db2.gz ASHOEEGDBJWQIN-AAEUAGOBSA-N 2 1 206.333 2.244 10 0 BEAEMP Cc1[nH+]ccn1CC[NH2+]C1(C)CCCC1 ZINC000049330362 180260604 /nfs/dbraw/zinc/26/06/04/180260604.db2.gz IBSOMSOZYZDNPD-UHFFFAOYSA-N 2 1 207.321 2.114 10 0 BEAEMP Cc1[nH+]ccn1CC[NH2+]CCc1cccc(F)c1 ZINC000049330145 180260631 /nfs/dbraw/zinc/26/06/31/180260631.db2.gz VXYKZCCDTCXCJQ-UHFFFAOYSA-N 2 1 247.317 2.163 10 0 BEAEMP Cc1[nH+]ccn1[C@@H](C[NH3+])c1ccc(Cl)cc1 ZINC000042947334 180271252 /nfs/dbraw/zinc/27/12/52/180271252.db2.gz JRIPKQKPRWIJDL-LBPRGKRZSA-N 2 1 235.718 2.393 10 0 BEAEMP Cc1[nH+]ccn1[C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000042902731 180271461 /nfs/dbraw/zinc/27/14/61/180271461.db2.gz CSWBAQOTXUKFIB-GXFFZTMASA-N 2 1 215.300 2.128 10 0 BEAEMP Cc1[nH+]ccn1[C@H](c1cccs1)[C@H](C)[NH3+] ZINC000043107029 180271729 /nfs/dbraw/zinc/27/17/29/180271729.db2.gz UNPLLYGCDHEOGU-KWQFWETISA-N 2 1 221.329 2.190 10 0 BEAEMP Cc1[nH+]cn([C@H](C[NH3+])c2ccsc2)c1C ZINC000051925754 180289686 /nfs/dbraw/zinc/28/96/86/180289686.db2.gz RHPUDDKWOGQJED-LLVKDONJSA-N 2 1 221.329 2.110 10 0 BEAEMP Cc1[nH+]cn(Cc2cc(C[NH3+])ccc2F)c1C ZINC000051926131 180286665 /nfs/dbraw/zinc/28/66/65/180286665.db2.gz YWIITDZODABNPP-UHFFFAOYSA-N 2 1 233.290 2.146 10 0 BEAEMP CC[N@H+]1CCC[C@@H](c2ccnc(N)c2)CC1 ZINC000616610437 350805643 /nfs/dbraw/zinc/80/56/43/350805643.db2.gz JMZFBTSVNDTBAV-LLVKDONJSA-N 2 1 219.332 2.084 10 0 BEAEMP CC[N@@H+]1CCC[C@@H](c2cc[nH+]c(N)c2)CC1 ZINC000616610437 350805644 /nfs/dbraw/zinc/80/56/44/350805644.db2.gz JMZFBTSVNDTBAV-LLVKDONJSA-N 2 1 219.332 2.084 10 0 BEAEMP CC[N@H+]1CCC[C@@H](c2cc[nH+]c(N)c2)CC1 ZINC000616610437 350805645 /nfs/dbraw/zinc/80/56/45/350805645.db2.gz JMZFBTSVNDTBAV-LLVKDONJSA-N 2 1 219.332 2.084 10 0 BEAEMP CC[NH2+]C[C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000052417415 350991985 /nfs/dbraw/zinc/99/19/85/350991985.db2.gz GQZPCLANUFQCDT-CYBMUJFWSA-N 2 1 220.360 2.364 10 0 BEAEMP C[C@H]([NH3+])C(C)(C)Nc1cc[nH+]cc1Cl ZINC000128980724 350951230 /nfs/dbraw/zinc/95/12/30/350951230.db2.gz ANAZOYLXNZMCAW-ZETCQYMHSA-N 2 1 213.712 2.273 10 0 BEAEMP [NH3+]CC[N@@H+]1CCC[C@@H]1c1cccc2ncccc21 ZINC000616631033 351104568 /nfs/dbraw/zinc/10/45/68/351104568.db2.gz FNEDPZZDSNVAON-OAHLLOKOSA-N 2 1 241.338 2.330 10 0 BEAEMP [NH3+]CC[N@H+]1CCC[C@@H]1c1cccc2ncccc21 ZINC000616631033 351104571 /nfs/dbraw/zinc/10/45/71/351104571.db2.gz FNEDPZZDSNVAON-OAHLLOKOSA-N 2 1 241.338 2.330 10 0 BEAEMP CC(C)Cc1ccc([C@H]2C[NH2+]C[C@]2(C)[NH3+])cc1 ZINC000725268173 538100052 /nfs/dbraw/zinc/10/00/52/538100052.db2.gz ILNIERQBQMZVQH-CABCVRRESA-N 2 1 232.371 2.289 10 0 BEAEMP NCC[N@H+]1CCC[C@@H]1c1cccc2ccncc21 ZINC000616634587 351117844 /nfs/dbraw/zinc/11/78/44/351117844.db2.gz USYWXQVUFMVJQY-OAHLLOKOSA-N 2 1 241.338 2.330 10 0 BEAEMP C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000306824525 351132400 /nfs/dbraw/zinc/13/24/00/351132400.db2.gz USAALUUCCKLXMC-CABCVRRESA-N 2 1 230.355 2.070 10 0 BEAEMP C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000306824525 351132401 /nfs/dbraw/zinc/13/24/01/351132401.db2.gz USAALUUCCKLXMC-CABCVRRESA-N 2 1 230.355 2.070 10 0 BEAEMP C[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000306824525 351132402 /nfs/dbraw/zinc/13/24/02/351132402.db2.gz USAALUUCCKLXMC-CABCVRRESA-N 2 1 230.355 2.070 10 0 BEAEMP CC[N@H+]1CCC[C@H]1CN(C)c1cc[nH+]c(C)c1 ZINC000274936474 351588388 /nfs/dbraw/zinc/58/83/88/351588388.db2.gz SBOKXBMRPXWNCJ-AWEZNQCLSA-N 2 1 233.359 2.311 10 0 BEAEMP CC(C)(C)c1cccc([C@H]2CC[NH2+]C[C@@H]2[NH3+])c1 ZINC000725269196 538101405 /nfs/dbraw/zinc/10/14/05/538101405.db2.gz FSSDMTMAEKQYBO-KGLIPLIRSA-N 2 1 232.371 2.388 10 0 BEAEMP CCC[N@@H+](CC)C1CCC2(C[C@H]2[NH3+])CC1 ZINC000725270169 538102265 /nfs/dbraw/zinc/10/22/65/538102265.db2.gz HXPVUIKRDBKCSP-OTTFEQOBSA-N 2 1 210.365 2.378 10 0 BEAEMP CC[N@@H+](C(C)C)C1CCC2(C[C@H]2[NH3+])CC1 ZINC000725271049 538103215 /nfs/dbraw/zinc/10/32/15/538103215.db2.gz VPKOAMZXOBVURW-OTTFEQOBSA-N 2 1 210.365 2.377 10 0 BEAEMP C[C@@H]1C[NH2+]CC[C@@H]1[N@@H+](C)Cc1ccccc1 ZINC000307384499 352511485 /nfs/dbraw/zinc/51/14/85/352511485.db2.gz ITVSTUGUEOABOT-OCCSQVGLSA-N 2 1 218.344 2.116 10 0 BEAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@]1(C)C[NH3+] ZINC000307406152 352581252 /nfs/dbraw/zinc/58/12/52/352581252.db2.gz DCDLJOKASDKHAU-OCCSQVGLSA-N 2 1 218.344 2.103 10 0 BEAEMP Cc1cccc2c1C=C(C[C@H]([NH3+])C[NH3+])CC2 ZINC000140572275 353124863 /nfs/dbraw/zinc/12/48/63/353124863.db2.gz VOXVIFBXCZLKNB-ZDUSSCGKSA-N 2 1 216.328 2.001 10 0 BEAEMP Fc1ccccc1CC[NH+]1CCC[NH2+]CCC1 ZINC000049664184 181010137 /nfs/dbraw/zinc/01/01/37/181010137.db2.gz MWDQILWAKRDMQG-UHFFFAOYSA-N 2 1 236.334 2.054 10 0 BEAEMP C[N@@H+](Cc1ccccc1)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000405531350 353795776 /nfs/dbraw/zinc/79/57/76/353795776.db2.gz YGWVVJKRVGTKKO-OLZOCXBDSA-N 2 1 218.344 2.244 10 0 BEAEMP NC(=[NH2+])CC[N@@H+](CCc1ccccc1)C1CC1 ZINC000042547916 181186232 /nfs/dbraw/zinc/18/62/32/181186232.db2.gz ZEGJOJPSLNIPGE-UHFFFAOYSA-N 2 1 231.343 2.020 10 0 BEAEMP [NH2+]=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)C1CCCC1 ZINC000062993326 181200565 /nfs/dbraw/zinc/20/05/65/181200565.db2.gz MAYMVDJYHZCYKB-CHWSQXEVSA-N 2 1 235.375 2.370 10 0 BEAEMP CC[C@@H]1C[N@H+](C/C(C)=C\Cl)CC[C@@H]1[NH3+] ZINC000308440365 355578424 /nfs/dbraw/zinc/57/84/24/355578424.db2.gz DXTSYTWHGGURPP-KJNJGPFHSA-N 2 1 216.756 2.188 10 0 BEAEMP CC[C@@H]1C[N@@H+](C/C(C)=C\Cl)CC[C@@H]1[NH3+] ZINC000308440365 355578427 /nfs/dbraw/zinc/57/84/27/355578427.db2.gz DXTSYTWHGGURPP-KJNJGPFHSA-N 2 1 216.756 2.188 10 0 BEAEMP CC[N@H+]1CC[C@@H]([NH3+])C[C@@H]1c1cccc(C)c1 ZINC000675055571 538475667 /nfs/dbraw/zinc/47/56/67/538475667.db2.gz VEKJNMBFSFMXOD-ZIAGYGMSSA-N 2 1 218.344 2.479 10 0 BEAEMP CC[N@H+]1CC[C@H]([NH3+])C[C@@H]1c1cccc(C)c1 ZINC000675055569 538476038 /nfs/dbraw/zinc/47/60/38/538476038.db2.gz VEKJNMBFSFMXOD-UONOGXRCSA-N 2 1 218.344 2.479 10 0 BEAEMP Cc1ccc([C@@H]2C[C@@H]([NH3+])CC[N@H+]2C)cc1F ZINC000675055455 538476069 /nfs/dbraw/zinc/47/60/69/538476069.db2.gz STKLGMBJIWJYFK-AAEUAGOBSA-N 2 1 222.307 2.228 10 0 BEAEMP Cc1ccc([C@@H]2C[C@@H]([NH3+])CC[N@@H+]2C)cc1F ZINC000675055455 538476072 /nfs/dbraw/zinc/47/60/72/538476072.db2.gz STKLGMBJIWJYFK-AAEUAGOBSA-N 2 1 222.307 2.228 10 0 BEAEMP C[C@@H]1C[C@H](C)C[N@@H+]([C@H]2CCC[C@@H](C[NH3+])C2)C1 ZINC000257778256 538754164 /nfs/dbraw/zinc/75/41/64/538754164.db2.gz NKSXNHXXILHMCP-RQJABVFESA-N 2 1 224.392 2.482 10 0 BEAEMP C[C@@H]1C[C@H](C)C[N@@H+]([C@@H]2CCC[C@H](C[NH3+])C2)C1 ZINC000257778255 538754993 /nfs/dbraw/zinc/75/49/93/538754993.db2.gz NKSXNHXXILHMCP-RFQIPJPRSA-N 2 1 224.392 2.482 10 0 BEAEMP CC[C@]1([NH3+])C[NH2+]C[C@H]1c1cc(C)cc(C)c1 ZINC000685945919 538887594 /nfs/dbraw/zinc/88/75/94/538887594.db2.gz GECQDGFIQMNVFW-KBPBESRZSA-N 2 1 218.344 2.098 10 0 BEAEMP C[C@H]1C[NH2+]C[C@H](C)C1[N@H+]1CCCC1(C)C ZINC000685951373 538894473 /nfs/dbraw/zinc/89/44/73/538894473.db2.gz RMTLHLBEAMRCFX-QWRGUYRKSA-N 2 1 210.365 2.105 10 0 BEAEMP CCC[N@@H+](C(C)C)C1[C@H](C)C[NH2+]C[C@H]1C ZINC000685950985 538894809 /nfs/dbraw/zinc/89/48/09/538894809.db2.gz KPHRFJLPWKCAEX-VXGBXAGGSA-N 2 1 212.381 2.351 10 0 BEAEMP CC[NH+](CC)CCC[NH2+]Cc1ccc(C)nc1 ZINC000124235748 491126066 /nfs/dbraw/zinc/12/60/66/491126066.db2.gz IQWYPUYZWNBFHU-UHFFFAOYSA-N 2 1 235.375 2.212 10 0 BEAEMP CCc1nc(N[C@H](C[NH3+])CC(C)C)cc(C)[nH+]1 ZINC000310274536 358443616 /nfs/dbraw/zinc/44/36/16/358443616.db2.gz SIBDMKDIEPDAHX-NSHDSACASA-N 2 1 236.363 2.133 10 0 BEAEMP C[C@@H](c1ccccc1)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193600392 358434414 /nfs/dbraw/zinc/43/44/14/358434414.db2.gz XXQYPRWOZKUAMD-AEGPPILISA-N 2 1 230.355 2.241 10 0 BEAEMP C[C@@H](c1ccccc1)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193600392 358434419 /nfs/dbraw/zinc/43/44/19/358434419.db2.gz XXQYPRWOZKUAMD-AEGPPILISA-N 2 1 230.355 2.241 10 0 BEAEMP C[C@@H](c1ccccc1)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193600392 358434423 /nfs/dbraw/zinc/43/44/23/358434423.db2.gz XXQYPRWOZKUAMD-AEGPPILISA-N 2 1 230.355 2.241 10 0 BEAEMP Cc1cccc(N2CCC([NH2+]CC3CC3)CC2)[nH+]1 ZINC000096639749 360351036 /nfs/dbraw/zinc/35/10/36/360351036.db2.gz ACDOBDFSSQHZOY-UHFFFAOYSA-N 2 1 245.370 2.358 10 0 BEAEMP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCc1cccc(F)c1 ZINC000054628190 181345349 /nfs/dbraw/zinc/34/53/49/181345349.db2.gz HTXAZVQDUSCFSC-GOOCMWNKSA-N 2 1 248.345 2.322 10 0 BEAEMP CO[C@H]1C[N@H+](CCCC2CCC2)[C@@](C)(C[NH3+])C1 ZINC000630366434 364086250 /nfs/dbraw/zinc/08/62/50/364086250.db2.gz KLHDANVAOUYKBX-ZIAGYGMSSA-N 2 1 240.391 2.005 10 0 BEAEMP CO[C@H]1C[N@@H+](CCCC2CCC2)[C@@](C)(C[NH3+])C1 ZINC000630366434 364086252 /nfs/dbraw/zinc/08/62/52/364086252.db2.gz KLHDANVAOUYKBX-ZIAGYGMSSA-N 2 1 240.391 2.005 10 0 BEAEMP CC[C@H](C)C[NH2+]CC[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000725271571 541339530 /nfs/dbraw/zinc/33/95/30/541339530.db2.gz HTNBNWPJAAOCNT-IHRRRGAJSA-N 2 1 224.392 2.354 10 0 BEAEMP CC[C@@H](C)C[NH2+]CC[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000725271573 541339620 /nfs/dbraw/zinc/33/96/20/541339620.db2.gz HTNBNWPJAAOCNT-MCIONIFRSA-N 2 1 224.392 2.354 10 0 BEAEMP CC[C@@H](C)C[NH2+]CC[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000725271573 541339624 /nfs/dbraw/zinc/33/96/24/541339624.db2.gz HTNBNWPJAAOCNT-MCIONIFRSA-N 2 1 224.392 2.354 10 0 BEAEMP NCC1([N@H+]2CCCSCC2)CCCCCC1 ZINC000042443586 181360636 /nfs/dbraw/zinc/36/06/36/181360636.db2.gz KOEOLMMFVNTOPA-UHFFFAOYSA-N 2 1 242.432 2.477 10 0 BEAEMP CCc1nc(N2CCCCC[C@H]([NH3+])C2)cc(C)[nH+]1 ZINC000630549022 364242348 /nfs/dbraw/zinc/24/23/48/364242348.db2.gz HBKGCLHPODMTQZ-LBPRGKRZSA-N 2 1 248.374 2.055 10 0 BEAEMP [NH3+]CCC[NH2+]Cc1ccc(Cl)cc1Cl ZINC000037713130 181383553 /nfs/dbraw/zinc/38/35/53/181383553.db2.gz QCIWOOPQMPNQFY-UHFFFAOYSA-N 2 1 233.142 2.432 10 0 BEAEMP CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000386173634 367924214 /nfs/dbraw/zinc/92/42/14/367924214.db2.gz WUQZWJZLGABMMU-LPWJVIDDSA-N 2 1 210.365 2.295 10 0 BEAEMP [NH3+][C@@H]1CCC[C@@]12CC[N@@H+](Cc1ccccc1)C2 ZINC000101467051 368383884 /nfs/dbraw/zinc/38/38/84/368383884.db2.gz XSLBNUDXCRSMOS-CABCVRRESA-N 2 1 230.355 2.390 10 0 BEAEMP [NH3+]C1([C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000215116917 369091167 /nfs/dbraw/zinc/09/11/67/369091167.db2.gz VIPFPSNLUKVPIB-CQSZACIVSA-N 2 1 230.355 2.390 10 0 BEAEMP C[C@@H]1C[N@@H+](CCC(C)(C)C2CC2)C[C@@H]1C[NH3+] ZINC000631838044 369114679 /nfs/dbraw/zinc/11/46/79/369114679.db2.gz YVLYQWMHUAAIBZ-NEPJUHHUSA-N 2 1 224.392 2.339 10 0 BEAEMP Cc1ccc(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)cc1F ZINC000631837505 372626542 /nfs/dbraw/zinc/62/65/42/372626542.db2.gz SYSAUBMJBJPESZ-AAEUAGOBSA-N 2 1 236.334 2.161 10 0 BEAEMP CC(C)C[C@H](C)C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631838931 372634267 /nfs/dbraw/zinc/63/42/67/372634267.db2.gz XFNPIURGBFOAOT-RWMBFGLXSA-N 2 1 212.381 2.195 10 0 BEAEMP C[C@H](c1cccc(F)c1)[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631839373 372636587 /nfs/dbraw/zinc/63/65/87/372636587.db2.gz FPLXSOGBFIQVLW-WZRBSPASSA-N 2 1 236.334 2.413 10 0 BEAEMP C[C@H]1C[N@@H+](Cc2ccccc2Cl)C[C@@H]1C[NH3+] ZINC000631844032 372642689 /nfs/dbraw/zinc/64/26/89/372642689.db2.gz DXBHQLGCDSWKSM-JQWIXIFHSA-N 2 1 238.762 2.367 10 0 BEAEMP CCC[N@@H+](C(C)C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747651 169048806 /nfs/dbraw/zinc/04/88/06/169048806.db2.gz CYLSWHORXRESQU-FUNVUKJBSA-N 2 1 210.365 2.390 10 0 BEAEMP c1cc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)ccn1 ZINC000037916386 183341273 /nfs/dbraw/zinc/34/12/73/183341273.db2.gz IQBRZZXSXZGHJP-GJZGRUSLSA-N 2 1 245.370 2.046 10 0 BEAEMP c1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)ccn1 ZINC000037916386 183341275 /nfs/dbraw/zinc/34/12/75/183341275.db2.gz IQBRZZXSXZGHJP-GJZGRUSLSA-N 2 1 245.370 2.046 10 0 BEAEMP CCC[N@H+]1CC[C@H]([NH+]2CCCC2)[C@H](C)C1 ZINC000073654017 169208125 /nfs/dbraw/zinc/20/81/25/169208125.db2.gz LSFDYFLOEXRDQN-OLZOCXBDSA-N 2 1 210.365 2.203 10 0 BEAEMP CCC[NH2+]CCC[N@@H+](CCO)C1CCCCC1 ZINC000042513807 169257068 /nfs/dbraw/zinc/25/70/68/169257068.db2.gz UVBOTVVJCQIKRL-UHFFFAOYSA-N 2 1 242.407 2.003 10 0 BEAEMP CCC[NH2+]C[C@H](C)C[N@@H+](CC)C[C@@H]1CCCO1 ZINC000052510618 169263182 /nfs/dbraw/zinc/26/31/82/169263182.db2.gz MIQDHSPTNCBCET-KBPBESRZSA-N 2 1 242.407 2.123 10 0 BEAEMP c1ccc(CC[N@H+]2CC[C@@H](C[NH2+]C3CC3)C2)cc1 ZINC000053012496 183393591 /nfs/dbraw/zinc/39/35/91/183393591.db2.gz LXEIXMWEIAAYIQ-HNNXBMFYSA-N 2 1 244.382 2.303 10 0 BEAEMP c1ccc(C[N@H+]2CCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000082346760 183399316 /nfs/dbraw/zinc/39/93/16/183399316.db2.gz AIXYZOFSNKRARQ-HUUCEWRRSA-N 2 1 230.355 2.261 10 0 BEAEMP CCC[NH2+][C@@H](C)[C@@H](C)[N@H+](C)C[C@@H]1CCCOC1 ZINC000104198521 169276045 /nfs/dbraw/zinc/27/60/45/169276045.db2.gz PSFWFCHPLKBDBW-MJBXVCDLSA-N 2 1 242.407 2.121 10 0 BEAEMP CCC[NH2+][C@@H](C)[C@@H](C)[N@@H+](C)C[C@@H]1CCCOC1 ZINC000104198521 169276047 /nfs/dbraw/zinc/27/60/47/169276047.db2.gz PSFWFCHPLKBDBW-MJBXVCDLSA-N 2 1 242.407 2.121 10 0 BEAEMP CCCO[C@@H]1CCC[N@@H+](C[C@@H](C)C[NH2+]CC)C1 ZINC000052371515 169312049 /nfs/dbraw/zinc/31/20/49/169312049.db2.gz IZYVLVVQXIHSTC-UONOGXRCSA-N 2 1 242.407 2.123 10 0 BEAEMP CCCO[C@@H]1CCC[N@H+](C[C@H]([NH3+])[C@@H](C)CC)C1 ZINC000042425488 169312101 /nfs/dbraw/zinc/31/21/01/169312101.db2.gz KPPIYVNGZPWDFX-MJBXVCDLSA-N 2 1 242.407 2.251 10 0 BEAEMP CCCO[C@@H]1CCC[N@@H+](C[C@H]([NH3+])[C@@H](C)CC)C1 ZINC000042425488 169312103 /nfs/dbraw/zinc/31/21/03/169312103.db2.gz KPPIYVNGZPWDFX-MJBXVCDLSA-N 2 1 242.407 2.251 10 0 BEAEMP CCCO[C@H]1CCC[N@@H+]([C@@H](C[NH3+])C(C)(C)C)C1 ZINC000042421213 169313334 /nfs/dbraw/zinc/31/33/34/169313334.db2.gz WIYDMHZYVKKZKO-STQMWFEESA-N 2 1 242.407 2.251 10 0 BEAEMP CCCO[C@H]1CCC[N@H+]([C@@H](C[NH3+])C(C)(C)C)C1 ZINC000042421213 169313336 /nfs/dbraw/zinc/31/33/36/169313336.db2.gz WIYDMHZYVKKZKO-STQMWFEESA-N 2 1 242.407 2.251 10 0 BEAEMP CCC[NH2+][C@H]1CC[N@@H+](CCCOCC)[C@H](C)C1 ZINC000049709351 169291988 /nfs/dbraw/zinc/29/19/88/169291988.db2.gz CYBQGQGIKMZQLS-KGLIPLIRSA-N 2 1 242.407 2.266 10 0 BEAEMP CCC[C@@H](C)[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000368426357 169369744 /nfs/dbraw/zinc/36/97/44/169369744.db2.gz VVLVCMVNPMANBV-NEPJUHHUSA-N 2 1 221.348 2.224 10 0 BEAEMP CCC[C@@H]([NH3+])[C@@H](CC)[N@H+](C)CCc1ccccn1 ZINC000020260816 169392682 /nfs/dbraw/zinc/39/26/82/169392682.db2.gz UZFQFDQRGCKLOJ-HUUCEWRRSA-N 2 1 249.402 2.462 10 0 BEAEMP CCC[C@@H]([NH3+])[C@@H](CC)[N@@H+](C)CCc1ccccn1 ZINC000020260816 169392683 /nfs/dbraw/zinc/39/26/83/169392683.db2.gz UZFQFDQRGCKLOJ-HUUCEWRRSA-N 2 1 249.402 2.462 10 0 BEAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000250644015 259599625 /nfs/dbraw/zinc/59/96/25/259599625.db2.gz IFQRFSKEHYUZAT-SOUVJXGZSA-N 2 1 230.355 2.246 10 0 BEAEMP CC[C@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)C(C)C ZINC000371480736 383830807 /nfs/dbraw/zinc/83/08/07/383830807.db2.gz QLLSDOMAFRVHLF-NEPJUHHUSA-N 2 1 221.348 2.222 10 0 BEAEMP C[C@@H]1C[C@H]([NH3+])[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000068593039 384002141 /nfs/dbraw/zinc/00/21/41/384002141.db2.gz MPGWATXLKGPBOP-DYEKYZERSA-N 2 1 218.344 2.244 10 0 BEAEMP C[C@@H]1C[C@H]([NH3+])[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000068593039 384002148 /nfs/dbraw/zinc/00/21/48/384002148.db2.gz MPGWATXLKGPBOP-DYEKYZERSA-N 2 1 218.344 2.244 10 0 BEAEMP [NH3+][C@H]1CCN(c2cc[nH+]c3ccc(Cl)cc32)C1 ZINC000073738697 384021932 /nfs/dbraw/zinc/02/19/32/384021932.db2.gz YJHDYEIRTSPMLR-JTQLQIEISA-N 2 1 247.729 2.426 10 0 BEAEMP C[N@@H+](C[C@H]1CCC(F)(F)C1)[C@H]1CCC[NH2+]CC1 ZINC000302315797 384141270 /nfs/dbraw/zinc/14/12/70/384141270.db2.gz BSXGTXXWHUMIPC-RYUDHWBXSA-N 2 1 246.345 2.496 10 0 BEAEMP CCC[NH+](C)CCCC[N@H+](C)CCC ZINC000118401350 384199982 /nfs/dbraw/zinc/19/99/82/384199982.db2.gz GVNQCTOOBHXHPI-UHFFFAOYSA-N 2 1 200.370 2.450 10 0 BEAEMP CS[C@@H]1CCCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000336460625 384230430 /nfs/dbraw/zinc/23/04/30/384230430.db2.gz OMKRDNQHACRNCX-QWHCGFSZSA-N 2 1 242.432 2.204 10 0 BEAEMP CC(C)[C@H](C)[NH2+]C[C@H]1CCn2cc[nH+]c2C1 ZINC000309676651 384717876 /nfs/dbraw/zinc/71/78/76/384717876.db2.gz LXRYRLNODVBXEC-RYUDHWBXSA-N 2 1 221.348 2.080 10 0 BEAEMP C[C@@H]1C[C@H](CC[NH3+])C[N@H+]1Cc1ccccc1 ZINC000083254961 384754845 /nfs/dbraw/zinc/75/48/45/384754845.db2.gz MNHIPMWKEKKGBU-OCCSQVGLSA-N 2 1 218.344 2.246 10 0 BEAEMP CCCC[C@@H](C)[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000310018630 384785716 /nfs/dbraw/zinc/78/57/16/384785716.db2.gz MBRBERACOFPLOY-VXGBXAGGSA-N 2 1 221.348 2.366 10 0 BEAEMP CCC[C@H](C)C[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000310019154 384786936 /nfs/dbraw/zinc/78/69/36/384786936.db2.gz MJCLAZKNDWXOOD-NWDGAFQWSA-N 2 1 221.348 2.224 10 0 BEAEMP CC[NH+](CC)[C@@H](C)C[NH2+][C@H](C)C(C)C ZINC000127523045 384870249 /nfs/dbraw/zinc/87/02/49/384870249.db2.gz ZSNXBKBUDMUAAQ-NWDGAFQWSA-N 2 1 200.370 2.351 10 0 BEAEMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H](C)C(C)C ZINC000127522807 384867038 /nfs/dbraw/zinc/86/70/38/384867038.db2.gz ZSNXBKBUDMUAAQ-NEPJUHHUSA-N 2 1 200.370 2.351 10 0 BEAEMP CC(C)C[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)C1CC1 ZINC000090773259 385093353 /nfs/dbraw/zinc/09/33/53/385093353.db2.gz QPXZSNAPUBTUHZ-TZMCWYRMSA-N 2 1 224.392 2.495 10 0 BEAEMP CC(C)C[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)C1CC1 ZINC000090773259 385093356 /nfs/dbraw/zinc/09/33/56/385093356.db2.gz QPXZSNAPUBTUHZ-TZMCWYRMSA-N 2 1 224.392 2.495 10 0 BEAEMP C[C@H](C[C@H](C)[NH3+])Nc1cc[nH+]cc1Cl ZINC000165755267 385415373 /nfs/dbraw/zinc/41/53/73/385415373.db2.gz FMFBWLHKVYPAJU-JGVFFNPUSA-N 2 1 213.712 2.273 10 0 BEAEMP c1cn2c([nH+]1)CC[C@@H](C[NH2+]C[C@@H]1CC=CCC1)C2 ZINC000275507411 385452922 /nfs/dbraw/zinc/45/29/22/385452922.db2.gz KCESEVGRFPUTBG-KGLIPLIRSA-N 2 1 245.370 2.391 10 0 BEAEMP c1csc(C[NH2+]C[C@H]2CCc3[nH+]ccn3C2)c1 ZINC000275521218 385457146 /nfs/dbraw/zinc/45/71/46/385457146.db2.gz LCNHZOQFRUTGOI-LLVKDONJSA-N 2 1 247.367 2.297 10 0 BEAEMP C[C@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)C(C)(C)C ZINC000309590594 385720735 /nfs/dbraw/zinc/72/07/35/385720735.db2.gz UQGVLJGMZVYRLK-WDEREUQCSA-N 2 1 221.348 2.222 10 0 BEAEMP C[N@@H+](Cc1ccccc1)C[C@@]1(C)CC[NH2+]C1 ZINC000062910819 386531386 /nfs/dbraw/zinc/53/13/86/386531386.db2.gz MMDYFQJVKBGXPF-AWEZNQCLSA-N 2 1 218.344 2.118 10 0 BEAEMP CCCC[N@@H+](C)C1(C2CC2)CC[NH2+]CC1 ZINC000536956232 387169631 /nfs/dbraw/zinc/16/96/31/387169631.db2.gz YVEKCYUWQAQUBR-UHFFFAOYSA-N 2 1 210.365 2.251 10 0 BEAEMP CCOC[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000126688607 387691805 /nfs/dbraw/zinc/69/18/05/387691805.db2.gz PCQSGMCJIXLBGY-FUDCBSFHSA-N 2 1 240.391 2.016 10 0 BEAEMP CCOC[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000126688607 387691809 /nfs/dbraw/zinc/69/18/09/387691809.db2.gz PCQSGMCJIXLBGY-FUDCBSFHSA-N 2 1 240.391 2.016 10 0 BEAEMP CCOC[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000126688343 387692324 /nfs/dbraw/zinc/69/23/24/387692324.db2.gz PCQSGMCJIXLBGY-RLAWYHOSSA-N 2 1 240.391 2.016 10 0 BEAEMP CCOC[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000126688343 387692329 /nfs/dbraw/zinc/69/23/29/387692329.db2.gz PCQSGMCJIXLBGY-RLAWYHOSSA-N 2 1 240.391 2.016 10 0 BEAEMP c1ccc(C2(C[NH2+][C@@H]3CC[NH2+]C3)CCCC2)cc1 ZINC000422807589 387706484 /nfs/dbraw/zinc/70/64/84/387706484.db2.gz JYKNWXLYICVJSJ-OAHLLOKOSA-N 2 1 244.382 2.450 10 0 BEAEMP Cc1ccc[nH+]c1N1CCC[C@@H](C[NH2+]C2CC2)C1 ZINC000053702147 132363241 /nfs/dbraw/zinc/36/32/41/132363241.db2.gz BSWOALUKQDLYJD-ZDUSSCGKSA-N 2 1 245.370 2.358 10 0 BEAEMP Cc1ccc[nH+]c1N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063201507 132389490 /nfs/dbraw/zinc/38/94/90/132389490.db2.gz UWPZQQYLCITBFQ-AWEZNQCLSA-N 2 1 245.370 2.358 10 0 BEAEMP C[C@H]([NH2+][C@@H]1CC[C@@H]([NH+](C)C)C1)c1cncs1 ZINC000222743867 134334132 /nfs/dbraw/zinc/33/41/32/134334132.db2.gz URXAHBONSDMDCU-HBNTYKKESA-N 2 1 239.388 2.276 10 0 BEAEMP CCC[C@@H]1C[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252728709 135102357 /nfs/dbraw/zinc/10/23/57/135102357.db2.gz CKUZDPSZJNLYIS-RFGFWPKPSA-N 2 1 222.376 2.391 10 0 BEAEMP COc1ccc(C[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000258925381 135135156 /nfs/dbraw/zinc/13/51/56/135135156.db2.gz WXCCQSFEQLNDHS-CQSZACIVSA-N 2 1 248.370 2.254 10 0 BEAEMP COc1ccc(C[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000258925381 135135158 /nfs/dbraw/zinc/13/51/58/135135158.db2.gz WXCCQSFEQLNDHS-CQSZACIVSA-N 2 1 248.370 2.254 10 0 BEAEMP CC1(C)C[N@H+](Cc2ccc(F)cc2)CC[C@@H]1[NH3+] ZINC000258935369 135136065 /nfs/dbraw/zinc/13/60/65/135136065.db2.gz XRSYCFCDVDILGD-ZDUSSCGKSA-N 2 1 236.334 2.385 10 0 BEAEMP CC1(C)C[N@@H+](Cc2ccc(F)cc2)CC[C@@H]1[NH3+] ZINC000258935369 135136066 /nfs/dbraw/zinc/13/60/66/135136066.db2.gz XRSYCFCDVDILGD-ZDUSSCGKSA-N 2 1 236.334 2.385 10 0 BEAEMP [NH3+]C[C@H]1CC[N@@H+](C[C@H]2CCCC(F)(F)C2)C1 ZINC000261533069 135163874 /nfs/dbraw/zinc/16/38/74/135163874.db2.gz DMMMVAOWGRTAIL-WDEREUQCSA-N 2 1 232.318 2.093 10 0 BEAEMP C[C@H]1[C@@H]([NH3+])CC[N@H+]1CC1CCC(C)CC1 ZINC000261536979 135172856 /nfs/dbraw/zinc/17/28/56/135172856.db2.gz ULIUWVVUIDXIOR-MVKMKZAISA-N 2 1 210.365 2.234 10 0 BEAEMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@H]2CCCC(F)(F)C2)C1 ZINC000261538281 135175834 /nfs/dbraw/zinc/17/58/34/135175834.db2.gz VCIOJOMDSVQUED-RYUDHWBXSA-N 2 1 246.345 2.353 10 0 BEAEMP C[C@H](c1cccnc1)[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261567046 135209590 /nfs/dbraw/zinc/20/95/90/135209590.db2.gz ZLBSUPRUOSSGTN-DGCLKSJQSA-N 2 1 233.359 2.202 10 0 BEAEMP C[C@H](c1cccnc1)[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261567046 135209592 /nfs/dbraw/zinc/20/95/92/135209592.db2.gz ZLBSUPRUOSSGTN-DGCLKSJQSA-N 2 1 233.359 2.202 10 0 BEAEMP Cc1ncsc1C[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261588554 135229280 /nfs/dbraw/zinc/22/92/80/135229280.db2.gz SKRATKHDQZSDBJ-NSHDSACASA-N 2 1 239.388 2.011 10 0 BEAEMP Cc1ncsc1C[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261588554 135229281 /nfs/dbraw/zinc/22/92/81/135229281.db2.gz SKRATKHDQZSDBJ-NSHDSACASA-N 2 1 239.388 2.011 10 0 BEAEMP CC(C)[NH2+]CC[N@@H+]1CC2(CCC2)C[C@@H]1C ZINC000309011352 167104030 /nfs/dbraw/zinc/10/40/30/167104030.db2.gz RZOOMGPJIKLPOO-LBPRGKRZSA-N 2 1 210.365 2.249 10 0 BEAEMP CC(C)[NH2+]CC[N@H+]1CC2(CCC2)C[C@@H]1C ZINC000309011352 167104032 /nfs/dbraw/zinc/10/40/32/167104032.db2.gz RZOOMGPJIKLPOO-LBPRGKRZSA-N 2 1 210.365 2.249 10 0 BEAEMP c1ccc2c(c1)cccc2CC[NH2+][C@@H]1CC[NH2+]C1 ZINC000258912798 322878231 /nfs/dbraw/zinc/87/82/31/322878231.db2.gz IHNDBLICMJIIGO-OAHLLOKOSA-N 2 1 240.350 2.334 10 0 BEAEMP C[C@H](C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1)C(C)(C)C ZINC000309270012 410690348 /nfs/dbraw/zinc/69/03/48/410690348.db2.gz CYIAPCIJSFJGBQ-YVECIDJPSA-N 2 1 224.392 2.338 10 0 BEAEMP [NH3+]C[C@H]1CCC[N@@H+]1C[C@@H]1CCCCC1(F)F ZINC000394538827 410802084 /nfs/dbraw/zinc/80/20/84/410802084.db2.gz WHQBGXOUBSPVNB-WDEREUQCSA-N 2 1 232.318 2.235 10 0 BEAEMP [NH3+]C[C@H]1CCC[N@H+]1C[C@@H]1CCCCC1(F)F ZINC000394538827 410802090 /nfs/dbraw/zinc/80/20/90/410802090.db2.gz WHQBGXOUBSPVNB-WDEREUQCSA-N 2 1 232.318 2.235 10 0 BEAEMP C[C@H](Cc1cccs1)[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000396640909 410891494 /nfs/dbraw/zinc/89/14/94/410891494.db2.gz MVHRREMUPQUICM-MDZLAQPJSA-N 2 1 238.400 2.409 10 0 BEAEMP CC(C)[NH2+]CC(C)(C)C[N@H+]1CCCO[C@H](C)C1 ZINC000061934223 167098425 /nfs/dbraw/zinc/09/84/25/167098425.db2.gz AWHCTUOVCGANMA-CYBMUJFWSA-N 2 1 242.407 2.121 10 0 BEAEMP CC(C)[NH2+]CCCCC[N@@H+](C)CCC[NH+](C)C ZINC000104195928 167101910 /nfs/dbraw/zinc/10/19/10/167101910.db2.gz CCXGJZPOPIJQAK-UHFFFAOYSA-N 3 1 243.439 2.038 10 0 BEAEMP CC(C)[NH2+]CCCCC[N@H+](C)CCCN(C)C ZINC000104195928 167101913 /nfs/dbraw/zinc/10/19/13/167101913.db2.gz CCXGJZPOPIJQAK-UHFFFAOYSA-N 2 1 243.439 2.038 10 0 BEAEMP CC(C)[NH2+]CCCCC[N@@H+](C)CCCN(C)C ZINC000104195928 167101916 /nfs/dbraw/zinc/10/19/16/167101916.db2.gz CCXGJZPOPIJQAK-UHFFFAOYSA-N 2 1 243.439 2.038 10 0 BEAEMP CC(C)[NH2+]CCC[C@@H](C)[N@@H+](C)CCC[NH+](C)C ZINC000104198358 167102725 /nfs/dbraw/zinc/10/27/25/167102725.db2.gz QSPPBBIUTUAJDS-CQSZACIVSA-N 3 1 243.439 2.037 10 0 BEAEMP CC(C)[NH2+]CCC[C@@H](C)[N@H+](C)CCCN(C)C ZINC000104198358 167102727 /nfs/dbraw/zinc/10/27/27/167102727.db2.gz QSPPBBIUTUAJDS-CQSZACIVSA-N 2 1 243.439 2.037 10 0 BEAEMP CC(C)[NH2+]CCC[C@@H](C)[N@@H+](C)CCCN(C)C ZINC000104198358 167102729 /nfs/dbraw/zinc/10/27/29/167102729.db2.gz QSPPBBIUTUAJDS-CQSZACIVSA-N 2 1 243.439 2.037 10 0 BEAEMP CC(C)[NH2+]CCCC[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000041681533 167103096 /nfs/dbraw/zinc/10/30/96/167103096.db2.gz MAGJEAUATZZFNU-ZDUSSCGKSA-N 2 1 242.407 2.264 10 0 BEAEMP CC(C)[NH2+]CCCCC[N@H+]1CCOC(C)(C)C1 ZINC000052481869 167103134 /nfs/dbraw/zinc/10/31/34/167103134.db2.gz ILGCKEHNRPKSAM-UHFFFAOYSA-N 2 1 242.407 2.266 10 0 BEAEMP CC(C)OCC[N@@H+](C)Cc1ccccc1C[NH3+] ZINC000049259284 167229961 /nfs/dbraw/zinc/22/99/61/167229961.db2.gz UJNVDHKJJQWBGQ-UHFFFAOYSA-N 2 1 236.359 2.002 10 0 BEAEMP C[N@H+](Cc1ccc(Cl)cc1)C[C@H]1CC[NH2+]C1 ZINC000051890044 411284863 /nfs/dbraw/zinc/28/48/63/411284863.db2.gz YOPLCGZZTYOFOK-LBPRGKRZSA-N 2 1 238.762 2.381 10 0 BEAEMP CC1([NH2+]C[C@H]2CCCC[NH2+]2)CCCCC1 ZINC000045047223 168062734 /nfs/dbraw/zinc/06/27/34/168062734.db2.gz SBHMXFRCPHKCAO-GFCCVEGCSA-N 2 1 210.365 2.441 10 0 BEAEMP CC1CCC(C[N@H+]2CC[C@@H](C[NH3+])C2)CC1 ZINC000063145778 168153685 /nfs/dbraw/zinc/15/36/85/168153685.db2.gz QEEQCCAYYHLCRW-BPCQOVAHSA-N 2 1 210.365 2.093 10 0 BEAEMP CC1CCC([N@H+]2CCC[C@@H](C[NH3+])C2)CC1 ZINC000044527795 168159132 /nfs/dbraw/zinc/15/91/32/168159132.db2.gz TUJROXPGECJTIT-CPCZMJQVSA-N 2 1 210.365 2.236 10 0 BEAEMP CC[N@@H+](CCOC)CC(C)(C)C[NH2+]CC(C)C ZINC000051254688 169863953 /nfs/dbraw/zinc/86/39/53/169863953.db2.gz LCXCQEWUMLVJCK-UHFFFAOYSA-N 2 1 244.423 2.227 10 0 BEAEMP CC[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000037670752 170010396 /nfs/dbraw/zinc/01/03/96/170010396.db2.gz BFXAHLWXJXFGQG-LBPRGKRZSA-N 2 1 219.332 2.144 10 0 BEAEMP CC[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000037670752 170010398 /nfs/dbraw/zinc/01/03/98/170010398.db2.gz BFXAHLWXJXFGQG-LBPRGKRZSA-N 2 1 219.332 2.144 10 0 BEAEMP CC[N@@H+]1CC[C@H](CNc2[nH+]cccc2C)C1 ZINC000051040950 170016915 /nfs/dbraw/zinc/01/69/15/170016915.db2.gz UCNYRBQBCYXQSE-GFCCVEGCSA-N 2 1 219.332 2.144 10 0 BEAEMP CC[N@H+]1CC[C@H](CNc2[nH+]cccc2C)C1 ZINC000051040950 170016917 /nfs/dbraw/zinc/01/69/17/170016917.db2.gz UCNYRBQBCYXQSE-GFCCVEGCSA-N 2 1 219.332 2.144 10 0 BEAEMP CC[NH2+]C[C@@H]1CC[N@H+]([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000053033759 170120155 /nfs/dbraw/zinc/12/01/55/170120155.db2.gz MAVZUKOTQWXFNR-NUEKZKHPSA-N 2 1 244.382 2.474 10 0 BEAEMP CC[NH2+]C[C@@H]1CCC[N@@H+](CCC(C)C)C1 ZINC000053653986 170120203 /nfs/dbraw/zinc/12/02/03/170120203.db2.gz ADSFUIOPBRBKFB-ZDUSSCGKSA-N 2 1 212.381 2.354 10 0 BEAEMP CC[NH2+]C[C@H]1CC[N@H+]([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000053033762 170122808 /nfs/dbraw/zinc/12/28/08/170122808.db2.gz MAVZUKOTQWXFNR-FVQBIDKESA-N 2 1 244.382 2.474 10 0 BEAEMP CC[NH2+]Cc1cc(F)ccc1-n1cc[nH+]c1C ZINC000037236870 170125706 /nfs/dbraw/zinc/12/57/06/170125706.db2.gz BJUAYUDCFIQKOP-UHFFFAOYSA-N 2 1 233.290 2.429 10 0 BEAEMP CC[NH2+]Cc1cccc(OCC[N@@H+](C)C2CC2)c1 ZINC000052445379 170128513 /nfs/dbraw/zinc/12/85/13/170128513.db2.gz FGDXFUUMZJSIRA-UHFFFAOYSA-N 2 1 248.370 2.269 10 0 BEAEMP CC[NH2+][C@H]1CCCC[C@H]1n1cc[nH+]c1C ZINC000043993788 170166884 /nfs/dbraw/zinc/16/68/84/170166884.db2.gz JGCYUMOGNFLGAV-NWDGAFQWSA-N 2 1 207.321 2.285 10 0 BEAEMP CCOCCC[NH2+]C[C@@H](C)n1cc[nH+]c1CC ZINC000053541192 170380504 /nfs/dbraw/zinc/38/05/04/170380504.db2.gz BKBGBYAIONLRHL-GFCCVEGCSA-N 2 1 239.363 2.023 10 0 BEAEMP CCOCCC[NH2+]CC[N@@H+]1CCC[C@H](C)CC1 ZINC000104346311 170380979 /nfs/dbraw/zinc/38/09/79/170380979.db2.gz COGGJFJMSZPYBB-AWEZNQCLSA-N 2 1 242.407 2.125 10 0 BEAEMP CCOCCC[NH2+]CC[N@H+]1CCC[C@H](C)CC1 ZINC000104346311 170380981 /nfs/dbraw/zinc/38/09/81/170380981.db2.gz COGGJFJMSZPYBB-AWEZNQCLSA-N 2 1 242.407 2.125 10 0 BEAEMP COc1cccc([C@@H](C)[N@@H+](C)CCC[NH3+])c1 ZINC000133210517 411656232 /nfs/dbraw/zinc/65/62/32/411656232.db2.gz IIOMZHSULXGDCF-LLVKDONJSA-N 2 1 222.332 2.037 10 0 BEAEMP c1ccc2c(c1)cc[nH+]c2NC[C@H]1CC[NH2+]C1 ZINC000132072377 411754772 /nfs/dbraw/zinc/75/47/72/411754772.db2.gz JNPFIGAUJFUKQD-NSHDSACASA-N 2 1 227.311 2.256 10 0 BEAEMP CC[C@@H]1CC[N@@H+](CCC(C)C)CCC[NH2+]1 ZINC000049663250 171009250 /nfs/dbraw/zinc/00/92/50/171009250.db2.gz YROBTDQJBRTQKQ-CYBMUJFWSA-N 2 1 212.381 2.497 10 0 BEAEMP CC[C@@H]1CC[N@H+]([C@@H](C)[C@@H]2CCCO2)CCC[NH2+]1 ZINC000049666206 171013934 /nfs/dbraw/zinc/01/39/34/171013934.db2.gz UEFMLKVRMAZXMC-MJBXVCDLSA-N 2 1 240.391 2.018 10 0 BEAEMP CC[C@@H]1CC[C@H]([NH3+])[C@H]([N@@H+](CC)[C@@H](C)COC)C1 ZINC000042748066 171055985 /nfs/dbraw/zinc/05/59/85/171055985.db2.gz DXVRQYICFRQSBO-RFQIPJPRSA-N 2 1 242.407 2.249 10 0 BEAEMP CC[C@@](C)(C[NH2+]C1CC1)C[N@@H+](C)[C@@H](C)COC ZINC000051251451 171166644 /nfs/dbraw/zinc/16/66/44/171166644.db2.gz VAYVQFPFFUUTJT-JSGCOSHPSA-N 2 1 242.407 2.121 10 0 BEAEMP CC[C@H](C)C[C@](CC)(C[NH3+])[N@@H+](C)[C@@H](C)COC ZINC000042517714 171299142 /nfs/dbraw/zinc/29/91/42/171299142.db2.gz HUWMYJKSJPFJAB-MELADBBJSA-N 2 1 244.423 2.497 10 0 BEAEMP [NH3+]CC12CC(C1)C[N@@H+]2C[C@H]1CCCCC1(F)F ZINC000662305605 412090801 /nfs/dbraw/zinc/09/08/01/412090801.db2.gz KVIXOPMNSVLOJL-MOENNCHZSA-N 2 1 244.329 2.235 10 0 BEAEMP [NH3+]CC12CC(C1)C[N@H+]2C[C@H]1CCCCC1(F)F ZINC000662305605 412090805 /nfs/dbraw/zinc/09/08/05/412090805.db2.gz KVIXOPMNSVLOJL-MOENNCHZSA-N 2 1 244.329 2.235 10 0 BEAEMP CCc1[nH+]ccn1[C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000042902901 172029062 /nfs/dbraw/zinc/02/90/62/172029062.db2.gz RJHZDVUOYQXAOI-FZMZJTMJSA-N 2 1 229.327 2.382 10 0 BEAEMP C[N@H+]1CCC[C@H](C[NH3+])[C@@H]1c1ccccc1 ZINC000068590137 173041979 /nfs/dbraw/zinc/04/19/79/173041979.db2.gz XORZBVQTSUNZOY-OLZOCXBDSA-N 2 1 204.317 2.028 10 0 BEAEMP C[N@H+]1CCC[C@H](C[NH2+]CC2CCCC2)C1 ZINC000044536078 173042918 /nfs/dbraw/zinc/04/29/18/173042918.db2.gz FAMHVPKJCDRFCZ-CYBMUJFWSA-N 2 1 210.365 2.108 10 0 BEAEMP C[N@@H+]1[C@@H]2CC[C@H]1CC(C[NH2+]C1CCCC1)C2 ZINC000038019053 173206454 /nfs/dbraw/zinc/20/64/54/173206454.db2.gz DREMIEGEAWHWEM-QXMXGUDHSA-N 2 1 222.376 2.391 10 0 BEAEMP C[NH2+]C1CC[NH+]([C@H](C)Cc2ccsc2)CC1 ZINC000049183899 173324260 /nfs/dbraw/zinc/32/42/60/173324260.db2.gz LUKVEWFWEABINI-LLVKDONJSA-N 2 1 238.400 2.363 10 0 BEAEMP C[NH2+]CC[C@@H](C)[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000052373071 173357903 /nfs/dbraw/zinc/35/79/03/173357903.db2.gz GZAMFGQAVQNIBB-HIFRSBDPSA-N 2 1 232.371 2.474 10 0 BEAEMP C[NH2+]Cc1cc(F)ccc1-n1cc[nH+]c1C ZINC000037236871 173387447 /nfs/dbraw/zinc/38/74/47/173387447.db2.gz KYNWOPRTZQZPGT-UHFFFAOYSA-N 2 1 219.263 2.039 10 0 BEAEMP C[NH2+]Cc1ccoc1C[N@H+]1CCC[C@H](C)C1 ZINC000052381217 173390984 /nfs/dbraw/zinc/39/09/84/173390984.db2.gz OZSZGXJFSZMNHI-NSHDSACASA-N 2 1 222.332 2.231 10 0 BEAEMP COCCC[N@H+]1CCC[C@@H](C[NH2+]C(C)(C)C)C1 ZINC000053657330 174229407 /nfs/dbraw/zinc/22/94/07/174229407.db2.gz ATOJALFYAJEZOO-ZDUSSCGKSA-N 2 1 242.407 2.123 10 0 BEAEMP COCC[N@@H+](CC(C)C)CC1CCC([NH3+])CC1 ZINC000042370872 174287066 /nfs/dbraw/zinc/28/70/66/174287066.db2.gz XUVFVTTYTGFIPT-UHFFFAOYSA-N 2 1 242.407 2.108 10 0 BEAEMP COCC[N@@H+](CC(C)C)[C@H](C)CC[NH2+]C(C)C ZINC000052508778 174287113 /nfs/dbraw/zinc/28/71/13/174287113.db2.gz FYJNNJNMDHAWCV-CQSZACIVSA-N 2 1 244.423 2.367 10 0 BEAEMP COCC[N@@H+](CC(C)C)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000042367654 174287338 /nfs/dbraw/zinc/28/73/38/174287338.db2.gz QKDOEPZNOIORCN-ZIAGYGMSSA-N 2 1 242.407 2.108 10 0 BEAEMP COCC[N@@H+](CCC[C@@H]1CCC[NH2+]1)CC(C)C ZINC000052764474 174290535 /nfs/dbraw/zinc/29/05/35/174290535.db2.gz WCNRQVSAUDNDSQ-AWEZNQCLSA-N 2 1 242.407 2.123 10 0 BEAEMP COCC[N@@H+]([C@@H](C)C1CC1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000042616134 174302360 /nfs/dbraw/zinc/30/23/60/174302360.db2.gz LLWMEZRYEKZCBE-FPMFFAJLSA-N 2 1 240.391 2.003 10 0 BEAEMP COCC[NH2+]CCCC[N@H+]1CC[C@H](C)C[C@H]1C ZINC000053499333 174332046 /nfs/dbraw/zinc/33/20/46/174332046.db2.gz MPJDINXBSHXMEQ-UONOGXRCSA-N 2 1 242.407 2.123 10 0 BEAEMP COCC[NH2+]CCCC[N@H+]1CCC[C@@H](C)[C@H]1C ZINC000053499322 174332897 /nfs/dbraw/zinc/33/28/97/174332897.db2.gz LDLLLYMYGNLEHQ-ZIAGYGMSSA-N 2 1 242.407 2.123 10 0 BEAEMP COc1ccc(C[N@H+](CC[NH3+])C(C)(C)C)cc1 ZINC000076619661 175096748 /nfs/dbraw/zinc/09/67/48/175096748.db2.gz HOXAVOSWJKWOSQ-UHFFFAOYSA-N 2 1 236.359 2.254 10 0 BEAEMP COc1ccc(C[N@@H+](CC[NH3+])C(C)(C)C)cc1 ZINC000076619661 175096749 /nfs/dbraw/zinc/09/67/49/175096749.db2.gz HOXAVOSWJKWOSQ-UHFFFAOYSA-N 2 1 236.359 2.254 10 0 BEAEMP COc1ccccc1C[N@@H+]1CCC[NH2+][C@H](C)CC1 ZINC000049663961 175328361 /nfs/dbraw/zinc/32/83/61/175328361.db2.gz UTSSQORQLBWOLH-CYBMUJFWSA-N 2 1 248.370 2.269 10 0 BEAEMP COc1ccccc1C[N@H+]1CCC[NH2+][C@H](C)CC1 ZINC000049663961 175328363 /nfs/dbraw/zinc/32/83/63/175328363.db2.gz UTSSQORQLBWOLH-CYBMUJFWSA-N 2 1 248.370 2.269 10 0 BEAEMP C[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)[C@@H]1[NH3+] ZINC000068592924 176175933 /nfs/dbraw/zinc/17/59/33/176175933.db2.gz ZWBZAXCNTIOTLB-YRGRVCCFSA-N 2 1 218.344 2.244 10 0 BEAEMP C[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)[C@@H]1[NH3+] ZINC000068592924 176175935 /nfs/dbraw/zinc/17/59/35/176175935.db2.gz ZWBZAXCNTIOTLB-YRGRVCCFSA-N 2 1 218.344 2.244 10 0 BEAEMP C[C@@H]1CC[N@@H+](Cc2ccccc2)CCC[NH2+]1 ZINC000049664189 176176603 /nfs/dbraw/zinc/17/66/03/176176603.db2.gz UPEMOVGXUYJDBR-CYBMUJFWSA-N 2 1 218.344 2.261 10 0 BEAEMP C[C@@H]1CC[NH+](Cc2ccco2)CC[C@@H](C)[NH2+]1 ZINC000049664337 176176721 /nfs/dbraw/zinc/17/67/21/176176721.db2.gz MYTLHYOZKAFUTN-VXGBXAGGSA-N 2 1 222.332 2.242 10 0 BEAEMP C[C@@H]1CC[NH+](Cc2ccncc2)CC[C@@H](C)[NH2+]1 ZINC000049666615 176178125 /nfs/dbraw/zinc/17/81/25/176178125.db2.gz YSOGIQDBJVRFQZ-CHWSQXEVSA-N 2 1 233.359 2.044 10 0 BEAEMP C[C@@H]1CC[N@H+](Cc2ccoc2C[NH3+])[C@H](C)C1 ZINC000052510017 176178462 /nfs/dbraw/zinc/17/84/62/176178462.db2.gz BYRAVZDZCLJHLC-GHMZBOCLSA-N 2 1 222.332 2.359 10 0 BEAEMP C[C@@H]1CC[N@@H+](Cc2ccoc2C[NH3+])[C@H](C)C1 ZINC000052510017 176178464 /nfs/dbraw/zinc/17/84/64/176178464.db2.gz BYRAVZDZCLJHLC-GHMZBOCLSA-N 2 1 222.332 2.359 10 0 BEAEMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1CC1CCCC1 ZINC000042427489 176202661 /nfs/dbraw/zinc/20/26/61/176202661.db2.gz PPPDKNRTKUJMCH-YPMHNXCESA-N 2 1 210.365 2.236 10 0 BEAEMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1cccc(F)c1 ZINC000044412931 176223662 /nfs/dbraw/zinc/22/36/62/176223662.db2.gz XIPMFJXMWYKXRY-DGCLKSJQSA-N 2 1 236.334 2.385 10 0 BEAEMP C[C@@H]1CC[C@H]([NH3+])[C@H](C[N@H+](C)Cc2ccoc2)C1 ZINC000053876497 176228986 /nfs/dbraw/zinc/22/89/86/176228986.db2.gz HLHCFQPHHRRWTO-XBFCOCLRSA-N 2 1 236.359 2.475 10 0 BEAEMP C[C@@H]1CC[C@H]([NH3+])[C@H](C[N@@H+](C)Cc2ccoc2)C1 ZINC000053876497 176228987 /nfs/dbraw/zinc/22/89/87/176228987.db2.gz HLHCFQPHHRRWTO-XBFCOCLRSA-N 2 1 236.359 2.475 10 0 BEAEMP C[C@@H]1C[C@@H](C)C[NH+](CC[NH2+]C2CCCC2)C1 ZINC000037482401 176361025 /nfs/dbraw/zinc/36/10/25/176361025.db2.gz ZOFDBNNSTAHXMK-CHWSQXEVSA-N 2 1 224.392 2.497 10 0 BEAEMP C[C@@H]1CC[N@H+](CCc2ccco2)CC[C@H](C)[NH2+]1 ZINC000049667376 177161594 /nfs/dbraw/zinc/16/15/94/177161594.db2.gz MWECQUJMWFOPOW-BETUJISGSA-N 2 1 236.359 2.285 10 0 BEAEMP C[C@H]1CC[N@@H+](Cc2cc(C[NH3+])ccc2F)C1 ZINC000040717025 177163512 /nfs/dbraw/zinc/16/35/12/177163512.db2.gz GXESIQLLABWTLC-JTQLQIEISA-N 2 1 222.307 2.126 10 0 BEAEMP C[C@@H]1C[C@@H](C)CC[N@H+]1Cc1cc(C[NH3+])co1 ZINC000052510142 177163529 /nfs/dbraw/zinc/16/35/29/177163529.db2.gz YTMORSMBLUYIDG-WDEREUQCSA-N 2 1 222.332 2.359 10 0 BEAEMP C[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C[NH3+])C1 ZINC000229324421 177164750 /nfs/dbraw/zinc/16/47/50/177164750.db2.gz MRPBFWSFSJAPRS-GXTWGEPZSA-N 2 1 218.344 2.246 10 0 BEAEMP C[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C[NH3+])C1 ZINC000229324421 177164753 /nfs/dbraw/zinc/16/47/53/177164753.db2.gz MRPBFWSFSJAPRS-GXTWGEPZSA-N 2 1 218.344 2.246 10 0 BEAEMP C[C@H]1CC[N@@H+](Cc2occc2C[NH2+]C2CC2)C1 ZINC000052484377 177168729 /nfs/dbraw/zinc/16/87/29/177168729.db2.gz MTWCQXHSZYEZQZ-NSHDSACASA-N 2 1 234.343 2.373 10 0 BEAEMP C[C@@H](Cc1ccco1)[N@H+]1CCC[NH2+]C[C@H](C)C1 ZINC000049667150 177281260 /nfs/dbraw/zinc/28/12/60/177281260.db2.gz CWPHRDUJJMDDCH-STQMWFEESA-N 2 1 236.359 2.142 10 0 BEAEMP C[C@@H](c1ccncc1)[N@H+]1CCC[NH2+]C[C@H](C)C1 ZINC000049666709 177281503 /nfs/dbraw/zinc/28/15/03/177281503.db2.gz ONQYRGBFQDRVAZ-STQMWFEESA-N 2 1 233.359 2.074 10 0 BEAEMP C[C@H]1C[NH2+]CCC[N@H+](C2CCCCC2)C1 ZINC000049665031 177281672 /nfs/dbraw/zinc/28/16/72/177281672.db2.gz MBOQMLQPOQGJCS-LBPRGKRZSA-N 2 1 210.365 2.251 10 0 BEAEMP C[C@@H](c1ccccc1)[N@H+]1CC[NH2+]C[C@H](C)C1 ZINC000049661335 177282538 /nfs/dbraw/zinc/28/25/38/177282538.db2.gz HTXVCTKKWFBJTI-STQMWFEESA-N 2 1 218.344 2.289 10 0 BEAEMP C[C@@H]1C[NH2+]C[C@H](C)C[N@@H+](C(C2CC2)C2CC2)C1 ZINC000049668087 177284669 /nfs/dbraw/zinc/28/46/69/177284669.db2.gz NERSHPNGSGXCDO-TXEJJXNPSA-N 2 1 236.403 2.352 10 0 BEAEMP C[C@@H]1C[C@H](C)C[N@H+](C[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000053860468 177312725 /nfs/dbraw/zinc/31/27/25/177312725.db2.gz JCMILBPCTUUGHV-RNJOBUHISA-N 2 1 210.365 2.092 10 0 BEAEMP C[C@@H]1C[C@H](C)C[N@H+](Cc2cc(C[NH3+])co2)C1 ZINC000052420757 177313578 /nfs/dbraw/zinc/31/35/78/177313578.db2.gz SXKUSLNGRVOAEM-PHIMTYICSA-N 2 1 222.332 2.216 10 0 BEAEMP C[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C[C@@H]1[NH3+] ZINC000068593011 177323322 /nfs/dbraw/zinc/32/33/22/177323322.db2.gz JZDOXTQRTHHGOG-DYEKYZERSA-N 2 1 218.344 2.244 10 0 BEAEMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1[NH3+] ZINC000068593011 177323323 /nfs/dbraw/zinc/32/33/23/177323323.db2.gz JZDOXTQRTHHGOG-DYEKYZERSA-N 2 1 218.344 2.244 10 0 BEAEMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCc1ccccc1F ZINC000049708315 177327436 /nfs/dbraw/zinc/32/74/36/177327436.db2.gz URUTYXYLXYJVLC-AAEUAGOBSA-N 2 1 236.334 2.180 10 0 BEAEMP C[C@H]1C[C@H](C)C[NH+](CC[NH2+]C2CCCC2)C1 ZINC000037482400 177358555 /nfs/dbraw/zinc/35/85/55/177358555.db2.gz ZOFDBNNSTAHXMK-STQMWFEESA-N 2 1 224.392 2.497 10 0 BEAEMP C[C@H]([NH2+]Cc1cc(F)ccc1F)[C@@H]1CC[NH2+]C1 ZINC000400353148 225058055 /nfs/dbraw/zinc/05/80/55/225058055.db2.gz NNVFIACMRNNBEM-VHSXEESVSA-N 2 1 240.297 2.052 10 0 BEAEMP Cc1ccoc1C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000562957085 323035079 /nfs/dbraw/zinc/03/50/79/323035079.db2.gz UAYVBEQDKOTYBZ-RYUDHWBXSA-N 2 1 222.332 2.066 10 0 BEAEMP COCC[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+]1CC(C)C ZINC000155211947 323060843 /nfs/dbraw/zinc/06/08/43/323060843.db2.gz QHKZCZALWSINET-ZIAGYGMSSA-N 2 1 242.407 2.121 10 0 BEAEMP COCC[C@@H](C)[NH2+]C[C@H]1CCC[N@H+]1CC(C)C ZINC000155211947 323060844 /nfs/dbraw/zinc/06/08/44/323060844.db2.gz QHKZCZALWSINET-ZIAGYGMSSA-N 2 1 242.407 2.121 10 0 BEAEMP CCOC[C@H](C)[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000132068762 325196705 /nfs/dbraw/zinc/19/67/05/325196705.db2.gz SEDYFUOBIWWWDQ-LEWSCRJBSA-N 2 1 234.343 2.146 10 0 BEAEMP C[C@H](Cc1ccsc1)[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000396689663 487995682 /nfs/dbraw/zinc/99/56/82/487995682.db2.gz ZYTZRHSZOZFCGJ-MDZLAQPJSA-N 2 1 238.400 2.409 10 0 BEAEMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@@H](C)C(C)C ZINC000227731470 487504695 /nfs/dbraw/zinc/50/46/95/487504695.db2.gz FZWFNVUGOHWPIL-RYUDHWBXSA-N 2 1 200.370 2.336 10 0 BEAEMP C[C@@H](CC1CCC1)[NH2+]C1CC[NH+](C)CC1 ZINC000132240064 491127183 /nfs/dbraw/zinc/12/71/83/491127183.db2.gz QULQTGHRZDPXCN-NSHDSACASA-N 2 1 210.365 2.249 10 0 BEAEMP C(C[N@H+]1CCC[C@]12CCC[NH2+]C2)C1CCC1 ZINC000757128226 582503339 /nfs/dbraw/zinc/50/33/39/582503339.db2.gz JOBIFEYFMRYXCI-AWEZNQCLSA-N 2 1 222.376 2.395 10 0 BEAEMP C[N@H+]1CCC[C@@]2(CC1)[NH2+][C@@H](C(C)(C)C)CCO2 ZINC000757141663 582522203 /nfs/dbraw/zinc/52/22/03/582522203.db2.gz PQRGPTKUGIKWPX-TZMCWYRMSA-N 2 1 240.391 2.223 10 0 BEAEMP CCc1cc(OC)ccc1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000261768411 536156077 /nfs/dbraw/zinc/15/60/77/536156077.db2.gz DLYQDRYBNAEEKS-LBPRGKRZSA-N 2 1 248.370 2.038 10 0 BEAEMP CC(C)(C[NH2+][C@H]1CC[NH2+]C1)C1=CCCC1 ZINC000308756147 527180880 /nfs/dbraw/zinc/18/08/80/527180880.db2.gz MXNJBFHGGQHPHJ-LBPRGKRZSA-N 2 1 208.349 2.074 10 0 BEAEMP CC[C@@H]1CCC[N@H+]1C1[C@@H](C)C[NH2+]C[C@@H]1C ZINC000685951934 566486797 /nfs/dbraw/zinc/48/67/97/566486797.db2.gz ZJBBRRYOAUXZNT-SDDRHHMPSA-N 2 1 210.365 2.105 10 0 BEAEMP C[C@H](C1CC1)[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC000757128043 582502980 /nfs/dbraw/zinc/50/29/80/582502980.db2.gz IOIBDOYHUDMPHC-YPMHNXCESA-N 2 1 208.349 2.003 10 0 BEAEMP CC(C)CC[N@H+]1CCC[C@@]12C[NH2+]C[C@@H](C)C2 ZINC000757127977 582503543 /nfs/dbraw/zinc/50/35/43/582503543.db2.gz IKGITYXQIRLARY-UONOGXRCSA-N 2 1 224.392 2.497 10 0 BEAEMP CCC1(CC)CC[NH2+]C2(C[C@H]3CC[C@@H](C2)[NH2+]3)O1 ZINC000757139159 582519638 /nfs/dbraw/zinc/51/96/38/582519638.db2.gz FYEUPYOEUCITJD-ONXXMXGDSA-N 2 1 238.375 2.166 10 0 BEAEMP C[C@@H]1CC[C@]2(CCC[N@H+]2CCC2CC2)C[NH2+]1 ZINC000757129694 586426447 /nfs/dbraw/zinc/42/64/47/586426447.db2.gz MSXUDPRIDMHTGJ-TZMCWYRMSA-N 2 1 222.376 2.393 10 0 BEAEMP CC1(c2ccc([C@H]3CC[C@@H]([NH3+])C[NH2+]3)cc2)CC1 ZINC000757219279 586442091 /nfs/dbraw/zinc/44/20/91/586442091.db2.gz WKFQANWOPLQQNT-ZIAGYGMSSA-N 2 1 230.355 2.490 10 0 BEAEMP [NH3+]C[C@H]1CC[C@@H](c2cscc2C(F)F)C[NH2+]1 ZINC000757232958 586442983 /nfs/dbraw/zinc/44/29/83/586442983.db2.gz JLJLYUZQNZAMPI-HTQZYQBOSA-N 2 1 246.326 2.480 10 0 BEAEMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCSC2)C1 ZINC000128247585 590950483 /nfs/dbraw/zinc/95/04/83/590950483.db2.gz BBEPVTJNTYGMKM-QWHCGFSZSA-N 2 1 242.432 2.204 10 0 BEAEMP c1ccc(CC[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000217651138 592148275 /nfs/dbraw/zinc/14/82/75/592148275.db2.gz QBSGTAUPVKFANE-HOTGVXAUSA-N 2 1 244.382 2.446 10 0 BEAEMP CC1CCC(C[N@H+]2CC[C@H](CC[NH3+])C2)CC1 ZINC000309447621 633081522 /nfs/dbraw/zinc/08/15/22/633081522.db2.gz NJYHOOIQNCDLJG-RUXDESIVSA-N 2 1 224.392 2.483 10 0 BEAEMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccoc2)C1 ZINC000062103836 641020824 /nfs/dbraw/zinc/02/08/24/641020824.db2.gz SKJXXDUXEGJDML-LBPRGKRZSA-N 2 1 222.332 2.100 10 0 BEAEMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccoc2)C1 ZINC000062103836 641020829 /nfs/dbraw/zinc/02/08/29/641020829.db2.gz SKJXXDUXEGJDML-LBPRGKRZSA-N 2 1 222.332 2.100 10 0 BEAEMP CC(C)C[N@@H+](CCC[NH2+]C1CC1)C(C)C ZINC000042590311 641556393 /nfs/dbraw/zinc/55/63/93/641556393.db2.gz ZWQNVUPUKWWWRR-UHFFFAOYSA-N 2 1 212.381 2.495 10 0 BEAEMP CC[C@H](C)[N@H+]1CCC[C@@]12C[NH2+]C[C@H](C)C2 ZINC000757132744 643259153 /nfs/dbraw/zinc/25/91/53/643259153.db2.gz RRODXZYTRSHGBL-FRRDWIJNSA-N 2 1 210.365 2.249 10 0 BEAEMP C[C@@H](C1CCC1)[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC000757135976 643276214 /nfs/dbraw/zinc/27/62/14/643276214.db2.gz XACUXOUIISFKRV-WCQYABFASA-N 2 1 208.349 2.003 10 0 BEAEMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000134201279 711882571 /nfs/dbraw/zinc/88/25/71/711882571.db2.gz QEQLTEPAJONUCC-NDBYEHHHSA-N 2 1 210.365 2.105 10 0 BEAEMP CCCCCC[N@H+]1C[C@@H](OC)C[C@]1(C)C[NH3+] ZINC000708942251 712203068 /nfs/dbraw/zinc/20/30/68/712203068.db2.gz BMLCGBXDVQGCGU-QWHCGFSZSA-N 2 1 228.380 2.005 10 0 BEAEMP CCC1([NH3+])CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000714756194 712498019 /nfs/dbraw/zinc/49/80/19/712498019.db2.gz BCISUPQFWPDPJP-GFCCVEGCSA-N 2 1 233.359 2.346 10 0 BEAEMP C[N@@H+](CC[C@@H]1C[C@H]1C1CC1)[C@H]1CCC[NH2+]CC1 ZINC000714868821 712502290 /nfs/dbraw/zinc/50/22/90/712502290.db2.gz YJSUPEYZVFHKRU-ILXRZTDVSA-N 2 1 236.403 2.497 10 0 BEAEMP CC[N@H+]1CC[C@H]([NH3+])[C@]12CCCC(C)(C)C2 ZINC000685953531 538898007 /nfs/dbraw/zinc/89/80/07/538898007.db2.gz IGFFGXGJIJTBKY-WCQYABFASA-N 2 1 210.365 2.378 10 0 BEAEMP CCCC1CCC2(CC1)[C@@H]([NH3+])CC[N@H+]2C ZINC000685955249 538900375 /nfs/dbraw/zinc/90/03/75/538900375.db2.gz WUIIPRXCKGSHRG-CPCZMJQVSA-N 2 1 210.365 2.378 10 0 BEAEMP CCCc1ccc([C@H]2C[NH2+]C[C@]2(C)[NH3+])cc1 ZINC000685965359 538911923 /nfs/dbraw/zinc/91/19/23/538911923.db2.gz BALJASYZGZYNFY-KGLIPLIRSA-N 2 1 218.344 2.043 10 0 BEAEMP CC(C)c1cccc([C@@H]2C[NH2+]C[C@]2(C)[NH3+])c1 ZINC000685965363 538912144 /nfs/dbraw/zinc/91/21/44/538912144.db2.gz BDRAOLJIMOXIGA-KBPBESRZSA-N 2 1 218.344 2.214 10 0 BEAEMP c1c[nH]c([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000616611801 349462469 /nfs/dbraw/zinc/46/24/69/349462469.db2.gz RPNLQWCUFVHIAL-CYBMUJFWSA-N 2 1 227.311 2.399 10 0 BEAEMP CCC(CC)(C[NH2+]C)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000051209746 168325941 /nfs/dbraw/zinc/32/59/41/168325941.db2.gz GFSRYYSLOCBPTD-BETUJISGSA-N 2 1 242.407 2.121 10 0 BEAEMP CCC(CC)(C[NH2+]C)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000051209746 168325943 /nfs/dbraw/zinc/32/59/43/168325943.db2.gz GFSRYYSLOCBPTD-BETUJISGSA-N 2 1 242.407 2.121 10 0 BEAEMP CC(C)[N@@H+](CC1CC1)C[C@]1(C)CC[NH2+]C1 ZINC000062911953 349495978 /nfs/dbraw/zinc/49/59/78/349495978.db2.gz VOSYLBGQTHDAQA-CYBMUJFWSA-N 2 1 210.365 2.106 10 0 BEAEMP Cc1cc(N(CCC[NH3+])C2CCCC2)nc(C)[nH+]1 ZINC000037756768 178102832 /nfs/dbraw/zinc/10/28/32/178102832.db2.gz LQNUCUGIZURAEH-UHFFFAOYSA-N 2 1 248.374 2.191 10 0 BEAEMP Cc1cc(N[C@@]2(C[NH3+])CCC[C@H](C)C2)nc(C)[nH+]1 ZINC000104303449 178184486 /nfs/dbraw/zinc/18/44/86/178184486.db2.gz WGDAOKKFEVXHHK-HZMBPMFUSA-N 2 1 248.374 2.413 10 0 BEAEMP C[N@@H+](CCC[NH3+])C[C@@H]1CCCCC1(F)F ZINC000381689379 398254873 /nfs/dbraw/zinc/25/48/73/398254873.db2.gz NHWLWOLIZPDACR-JTQLQIEISA-N 2 1 220.307 2.093 10 0 BEAEMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000381596802 398265856 /nfs/dbraw/zinc/26/58/56/398265856.db2.gz FPLNFIPFJYBLPA-NWDGAFQWSA-N 2 1 246.345 2.353 10 0 BEAEMP C[C@@]1(C[NH3+])CC[N@@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000381690695 398269669 /nfs/dbraw/zinc/26/96/69/398269669.db2.gz NKWPOQMYGBDPDQ-RYUDHWBXSA-N 2 1 246.345 2.483 10 0 BEAEMP CCC(CC)[N@@H+](CCOC)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000042614301 168376540 /nfs/dbraw/zinc/37/65/40/168376540.db2.gz SWVKIXRJQYQQKB-TZMCWYRMSA-N 2 1 242.407 2.251 10 0 BEAEMP CC[N@@H+]1CCCC[C@@H]1[C@@H]1CCCCC[NH2+]1 ZINC000022872622 342816566 /nfs/dbraw/zinc/81/65/66/342816566.db2.gz AHUOOIMPGMLGTN-QWHCGFSZSA-N 2 1 210.365 2.393 10 0 BEAEMP CC[N@H+]1CCCC[C@@H]1[C@@H]1CCCCC[NH2+]1 ZINC000022872622 342816567 /nfs/dbraw/zinc/81/65/67/342816567.db2.gz AHUOOIMPGMLGTN-QWHCGFSZSA-N 2 1 210.365 2.393 10 0 BEAEMP CC(C)CC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000038000168 398335704 /nfs/dbraw/zinc/33/57/04/398335704.db2.gz CHFWAZGVJCVBOG-KBPBESRZSA-N 2 1 224.392 2.497 10 0 BEAEMP C[C@@H]1C[C@]2(CC[N@@H+]1C)NCCc1ccsc12 ZINC000712553352 537791740 /nfs/dbraw/zinc/79/17/40/537791740.db2.gz RCSQXFGBYHOGMZ-MFKMUULPSA-N 2 1 236.384 2.203 10 0 BEAEMP C[C@@H]1C[C@]2(CC[N@H+]1C)NCCc1ccsc12 ZINC000712553352 537791747 /nfs/dbraw/zinc/79/17/47/537791747.db2.gz RCSQXFGBYHOGMZ-MFKMUULPSA-N 2 1 236.384 2.203 10 0 BEAEMP C[C@@H]1[C@@H]2C[N@@H+](C)C[C@@H]2C[NH+]1Cc1ccccc1 ZINC000409431598 343824038 /nfs/dbraw/zinc/82/40/38/343824038.db2.gz RJPWPILRMFONAL-YUELXQCFSA-N 2 1 230.355 2.069 10 0 BEAEMP C[C@@H]1[C@@H]2C[NH+](C)C[C@@H]2C[N@@H+]1Cc1ccccc1 ZINC000409431598 343824041 /nfs/dbraw/zinc/82/40/41/343824041.db2.gz RJPWPILRMFONAL-YUELXQCFSA-N 2 1 230.355 2.069 10 0 BEAEMP C[C@@H]1[C@@H]2C[NH+](C)C[C@@H]2C[N@H+]1Cc1ccccc1 ZINC000409431598 343824043 /nfs/dbraw/zinc/82/40/43/343824043.db2.gz RJPWPILRMFONAL-YUELXQCFSA-N 2 1 230.355 2.069 10 0 BEAEMP c1cn2c([nH+]1)CC[C@@H]([NH2+]Cc1ccsc1)C2 ZINC000309640940 343938982 /nfs/dbraw/zinc/93/89/82/343938982.db2.gz UNVWBRFMQSBFSR-LLVKDONJSA-N 2 1 233.340 2.049 10 0 BEAEMP [NH3+]C[C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000616574799 344189046 /nfs/dbraw/zinc/18/90/46/344189046.db2.gz YHPAGVSVNBAPRL-RBSFLKMASA-N 2 1 230.355 2.103 10 0 BEAEMP C[C@@H]1C[N@H+]([C@@H]2CCCC2(C)C)C[C@@]1(C)C[NH3+] ZINC000390097911 259380549 /nfs/dbraw/zinc/38/05/49/259380549.db2.gz NNBDPDOSXYUTFM-YRGRVCCFSA-N 2 1 224.392 2.482 10 0 BEAEMP [NH3+][C@]12C[N@H+](Cc3ccccc3)C[C@@H]1CCCC2 ZINC000307124522 344984001 /nfs/dbraw/zinc/98/40/01/344984001.db2.gz YSRKXDRZBDXBAH-LSDHHAIUSA-N 2 1 230.355 2.390 10 0 BEAEMP [NH3+][C@]12C[N@@H+](Cc3ccccc3)C[C@@H]1CCCC2 ZINC000307124522 344984004 /nfs/dbraw/zinc/98/40/04/344984004.db2.gz YSRKXDRZBDXBAH-LSDHHAIUSA-N 2 1 230.355 2.390 10 0 BEAEMP C[C@H]1C[N@@H+](Cc2coc3ccccc23)C[C@@H]1C[NH3+] ZINC000634998092 345197348 /nfs/dbraw/zinc/19/73/48/345197348.db2.gz ANHCOFUNYRDIIL-RYUDHWBXSA-N 2 1 244.338 2.459 10 0 BEAEMP Cc1cc(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)ccc1F ZINC000634998867 345199060 /nfs/dbraw/zinc/19/90/60/345199060.db2.gz LZPQSPUSFSCADX-AAEUAGOBSA-N 2 1 236.334 2.161 10 0 BEAEMP Cc1cc(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)ccc1F ZINC000634998870 345199341 /nfs/dbraw/zinc/19/93/41/345199341.db2.gz LZPQSPUSFSCADX-YPMHNXCESA-N 2 1 236.334 2.161 10 0 BEAEMP Cc1cccc(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)c1C ZINC000634999872 345201161 /nfs/dbraw/zinc/20/11/61/345201161.db2.gz BKPQJXSXFCFNIB-WFASDCNBSA-N 2 1 232.371 2.330 10 0 BEAEMP Cc1cccc(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)c1C ZINC000634999869 345201344 /nfs/dbraw/zinc/20/13/44/345201344.db2.gz BKPQJXSXFCFNIB-DOMZBBRYSA-N 2 1 232.371 2.330 10 0 BEAEMP CC(C)[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH3+] ZINC000251374064 345493918 /nfs/dbraw/zinc/49/39/18/345493918.db2.gz GMILKAIXHXFOEF-ZIAGYGMSSA-N 2 1 218.344 2.102 10 0 BEAEMP CC(C)[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH3+] ZINC000251374064 345493919 /nfs/dbraw/zinc/49/39/19/345493919.db2.gz GMILKAIXHXFOEF-ZIAGYGMSSA-N 2 1 218.344 2.102 10 0 BEAEMP Cc1ccc([C@@H](C)C[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000215652693 345742519 /nfs/dbraw/zinc/74/25/19/345742519.db2.gz UZXQTQYKDAEPGR-GXTWGEPZSA-N 2 1 218.344 2.050 10 0 BEAEMP Cc1cccc(C[N@@H+]2CCC[NH2+][C@@H](C)C2)c1 ZINC000062609099 179073995 /nfs/dbraw/zinc/07/39/95/179073995.db2.gz DEYSSRPXHOJXDJ-ZDUSSCGKSA-N 2 1 218.344 2.179 10 0 BEAEMP Cc1cccc(C[N@H+]2CCC[NH2+][C@@H](C)C2)c1 ZINC000062609099 179073998 /nfs/dbraw/zinc/07/39/98/179073998.db2.gz DEYSSRPXHOJXDJ-ZDUSSCGKSA-N 2 1 218.344 2.179 10 0 BEAEMP CCC(CC)[NH2+][C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000725241904 537981067 /nfs/dbraw/zinc/98/10/67/537981067.db2.gz VTTKHQBNQVMILI-CHWSQXEVSA-N 2 1 210.365 2.391 10 0 BEAEMP CCC(CC)[NH2+][C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000725241904 537981073 /nfs/dbraw/zinc/98/10/73/537981073.db2.gz VTTKHQBNQVMILI-CHWSQXEVSA-N 2 1 210.365 2.391 10 0 BEAEMP [NH3+]C1CC[NH+]([C@H]2CCc3cc(F)ccc32)CC1 ZINC000162654256 346533739 /nfs/dbraw/zinc/53/37/39/346533739.db2.gz OQNYPPFRGHTFJS-AWEZNQCLSA-N 2 1 234.318 2.236 10 0 BEAEMP Cc1cccc(N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)[nH+]1 ZINC000040747245 179116016 /nfs/dbraw/zinc/11/60/16/179116016.db2.gz BAZVXZJEAPGYBV-FUNVUKJBSA-N 2 1 231.343 2.109 10 0 BEAEMP CCC[N@@H+](C)Cc1cc(C[NH3+])c(F)cc1F ZINC000669380152 537986024 /nfs/dbraw/zinc/98/60/24/537986024.db2.gz RRWKMHGAMXSMSY-UHFFFAOYSA-N 2 1 228.286 2.265 10 0 BEAEMP Cc1cccc(OCCC[N@@H+]2CCC[NH2+]CC2)c1 ZINC000036946383 179164453 /nfs/dbraw/zinc/16/44/53/179164453.db2.gz AYYSBVOTEXWABO-UHFFFAOYSA-N 2 1 248.370 2.059 10 0 BEAEMP Cc1cccc(OCCC[N@H+]2CCC[NH2+]CC2)c1 ZINC000036946383 179164455 /nfs/dbraw/zinc/16/44/55/179164455.db2.gz AYYSBVOTEXWABO-UHFFFAOYSA-N 2 1 248.370 2.059 10 0 BEAEMP C[C@@H]1C[N@H+]([C@@H]2CCC(C)(C)C2)C[C@@]1(C)C[NH3+] ZINC000393823505 259393962 /nfs/dbraw/zinc/39/39/62/259393962.db2.gz KYSCAUHUBSMUGX-YRGRVCCFSA-N 2 1 224.392 2.482 10 0 BEAEMP Cc1[nH+]ccn1[C@H](C[NH3+])c1cccc(C)c1 ZINC000042967751 179184323 /nfs/dbraw/zinc/18/43/23/179184323.db2.gz GOPQOQGQAFJWMK-CYBMUJFWSA-N 2 1 215.300 2.048 10 0 BEAEMP Cc1ccccc1C[NH2+]C[C@@H]1CC[N@H+](C)C1 ZINC000037484585 179281830 /nfs/dbraw/zinc/28/18/30/179281830.db2.gz IXMGXTWWTYCGOK-ZDUSSCGKSA-N 2 1 218.344 2.036 10 0 BEAEMP Cc1ccc[nH+]c1N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000051041292 179396012 /nfs/dbraw/zinc/39/60/12/179396012.db2.gz SANSQQDBIASHKE-NEPJUHHUSA-N 2 1 219.332 2.190 10 0 BEAEMP Cc1[nH+]ccn1-c1cc(Cl)ccc1C[NH3+] ZINC000062787080 180229112 /nfs/dbraw/zinc/22/91/12/180229112.db2.gz KCZHWTWPDYSLHH-UHFFFAOYSA-N 2 1 221.691 2.293 10 0 BEAEMP Cc1[nH+]ccn1CC[NH2+]CCc1ccccc1F ZINC000049329823 180260725 /nfs/dbraw/zinc/26/07/25/180260725.db2.gz VDKFHTKUAYVORV-UHFFFAOYSA-N 2 1 247.317 2.163 10 0 BEAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ccco1 ZINC000180120493 180269808 /nfs/dbraw/zinc/26/98/08/180269808.db2.gz PAFHDGZDIJJWRD-CYBMUJFWSA-N 2 1 245.326 2.449 10 0 BEAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ccco1 ZINC000180120493 180269811 /nfs/dbraw/zinc/26/98/11/180269811.db2.gz PAFHDGZDIJJWRD-CYBMUJFWSA-N 2 1 245.326 2.449 10 0 BEAEMP Cc1[nH+]ccn1[C@H](c1ccsc1)[C@@H](C)[NH3+] ZINC000043124117 180270711 /nfs/dbraw/zinc/27/07/11/180270711.db2.gz GNFCWGAHTBUQKH-KCJUWKMLSA-N 2 1 221.329 2.190 10 0 BEAEMP Cc1[nH+]ccn1[C@H](CC[NH3+])c1ccccc1 ZINC000055017779 180271485 /nfs/dbraw/zinc/27/14/85/180271485.db2.gz IPDQHDAFTMVJMA-CYBMUJFWSA-N 2 1 215.300 2.130 10 0 BEAEMP Cc1[nH+]cn(CCC[C@H]2CCC[NH2+]2)c1C ZINC000052764929 180288121 /nfs/dbraw/zinc/28/81/21/180288121.db2.gz XJCPLVOKSQCQSS-GFCCVEGCSA-N 2 1 207.321 2.032 10 0 BEAEMP Cc1[nH+]cn(CC[NH2+]C(C2CC2)C2CC2)c1C ZINC000053535744 180288237 /nfs/dbraw/zinc/28/82/37/180288237.db2.gz LIQWZJZGWLYSPT-UHFFFAOYSA-N 2 1 233.359 2.278 10 0 BEAEMP Cc1ncsc1[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C)C1 ZINC000037484863 180326819 /nfs/dbraw/zinc/32/68/19/180326819.db2.gz WITRMZNSDGBMJC-ONGXEEELSA-N 2 1 239.388 2.054 10 0 BEAEMP Cc1ncsc1[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](C)C1 ZINC000037484863 180326821 /nfs/dbraw/zinc/32/68/21/180326821.db2.gz WITRMZNSDGBMJC-ONGXEEELSA-N 2 1 239.388 2.054 10 0 BEAEMP Cc1ncsc1[C@@H](C)[NH2+]C[C@H]1CC[N@H+](C)C1 ZINC000037484864 180327322 /nfs/dbraw/zinc/32/73/22/180327322.db2.gz WITRMZNSDGBMJC-MWLCHTKSSA-N 2 1 239.388 2.054 10 0 BEAEMP Cc1ncsc1[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](C)C1 ZINC000037484864 180327327 /nfs/dbraw/zinc/32/73/27/180327327.db2.gz WITRMZNSDGBMJC-MWLCHTKSSA-N 2 1 239.388 2.054 10 0 BEAEMP C1CC1[N@@H+](C1CC[NH2+]CC1)C1CCSCC1 ZINC000409433740 350472853 /nfs/dbraw/zinc/47/28/53/350472853.db2.gz NIFYYIAFNRBBND-UHFFFAOYSA-N 2 1 240.416 2.098 10 0 BEAEMP CC[C@@H]1CCC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000062911257 350563118 /nfs/dbraw/zinc/56/31/18/350563118.db2.gz JQYHFVFSXOIBRJ-CHWSQXEVSA-N 2 1 210.365 2.108 10 0 BEAEMP [NH3+]CC[N@@H+]1CCCCC[C@H]1c1ccc(CO)cc1 ZINC000616625091 351092679 /nfs/dbraw/zinc/09/26/79/351092679.db2.gz KXHLFIWSZDBWKG-HNNXBMFYSA-N 2 1 248.370 2.055 10 0 BEAEMP [NH3+]CC[N@H+]1CCCCC[C@H]1c1ccc(CO)cc1 ZINC000616625091 351092681 /nfs/dbraw/zinc/09/26/81/351092681.db2.gz KXHLFIWSZDBWKG-HNNXBMFYSA-N 2 1 248.370 2.055 10 0 BEAEMP CC(C)C[C@H](C[NH3+])Nc1[nH]c2ccccc2[nH+]1 ZINC000111830346 191133396 /nfs/dbraw/zinc/13/33/96/191133396.db2.gz JLKGMNIPHSMSJX-SNVBAGLBSA-N 2 1 232.331 2.348 10 0 BEAEMP C[C@@H]1C[NH2+]CC[C@H]1[N@@H+](C)Cc1ccccc1 ZINC000307384500 352511925 /nfs/dbraw/zinc/51/19/25/352511925.db2.gz ITVSTUGUEOABOT-TZMCWYRMSA-N 2 1 218.344 2.116 10 0 BEAEMP CC[C@H](CC[NH3+])[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000036128516 188112719 /nfs/dbraw/zinc/11/27/19/188112719.db2.gz YXJCYPRWGDVFRQ-ZIAGYGMSSA-N 2 1 233.359 2.346 10 0 BEAEMP C[NH2+]Cc1cccc(C[N@H+]2CC[C@@H](C)C2)c1 ZINC000052484352 188126285 /nfs/dbraw/zinc/12/62/85/188126285.db2.gz FOBZXQIWCXYSGN-GFCCVEGCSA-N 2 1 218.344 2.248 10 0 BEAEMP CC(C)[N@H+](C)CC[C@H]([NH3+])c1ccccc1 ZINC000020073245 188175338 /nfs/dbraw/zinc/17/53/38/188175338.db2.gz VBBDPXPUDTVQKQ-ZDUSSCGKSA-N 2 1 206.333 2.417 10 0 BEAEMP CC(C)[N@@H+](C)CC[C@H]([NH3+])c1ccccc1 ZINC000020073245 188175340 /nfs/dbraw/zinc/17/53/40/188175340.db2.gz VBBDPXPUDTVQKQ-ZDUSSCGKSA-N 2 1 206.333 2.417 10 0 BEAEMP CC(C)[N@H+](CC1CC1)[C@H]1CCCCNC1 ZINC000054135473 188176420 /nfs/dbraw/zinc/17/64/20/188176420.db2.gz DKJDPFGWKMORTN-ZDUSSCGKSA-N 2 1 210.365 2.249 10 0 BEAEMP C[N@@H+](Cc1ccccc1)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000405531347 353795746 /nfs/dbraw/zinc/79/57/46/353795746.db2.gz YGWVVJKRVGTKKO-CHWSQXEVSA-N 2 1 218.344 2.244 10 0 BEAEMP CC[N@@H+]1CC[C@H]([NH3+])C[C@H]1c1cccc(F)c1 ZINC000675055620 538475943 /nfs/dbraw/zinc/47/59/43/538475943.db2.gz VXVXVWJHMVNECP-STQMWFEESA-N 2 1 222.307 2.310 10 0 BEAEMP CC[N@H+]1CC[C@H]([NH3+])C[C@H]1c1cccc(F)c1 ZINC000675055620 538475946 /nfs/dbraw/zinc/47/59/46/538475946.db2.gz VXVXVWJHMVNECP-STQMWFEESA-N 2 1 222.307 2.310 10 0 BEAEMP C[C@@H]([NH3+])C[C@@H](C)Nc1[nH+]c2ccccc2n1C ZINC000320978633 357275528 /nfs/dbraw/zinc/27/55/28/357275528.db2.gz XJSVNWWTSHDEPH-NXEZZACHSA-N 2 1 232.331 2.111 10 0 BEAEMP C[C@H]1C[NH2+]C[C@H](C)C1[N@H+]1CCC2(CCC2)C1 ZINC000685951657 538895395 /nfs/dbraw/zinc/89/53/95/538895395.db2.gz VHIJIINIUUZUBS-RYUDHWBXSA-N 2 1 222.376 2.106 10 0 BEAEMP COC[C@H](C)C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000133060758 325263893 /nfs/dbraw/zinc/26/38/93/325263893.db2.gz YWCIIBJJNZHWAI-KGLIPLIRSA-N 2 1 242.407 2.075 10 0 BEAEMP COC[C@H](C)C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000133060758 325263897 /nfs/dbraw/zinc/26/38/97/325263897.db2.gz YWCIIBJJNZHWAI-KGLIPLIRSA-N 2 1 242.407 2.075 10 0 BEAEMP COC[C@H](C)C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000133060758 325263902 /nfs/dbraw/zinc/26/39/02/325263902.db2.gz YWCIIBJJNZHWAI-KGLIPLIRSA-N 2 1 242.407 2.075 10 0 BEAEMP CC[C@@H]1CC[C@H](CC[N@@H+](C)CC)[NH+](C)C1 ZINC000584627570 358297449 /nfs/dbraw/zinc/29/74/49/358297449.db2.gz XWUGWNNMONIIBW-CHWSQXEVSA-N 2 1 212.381 2.449 10 0 BEAEMP CC[C@@H]1CC[C@H](CC[NH+](C)CC)[N@H+](C)C1 ZINC000584627570 358297452 /nfs/dbraw/zinc/29/74/52/358297452.db2.gz XWUGWNNMONIIBW-CHWSQXEVSA-N 2 1 212.381 2.449 10 0 BEAEMP CC[C@@H]1CC[C@H](CC[NH+](C)CC)[N@@H+](C)C1 ZINC000584627570 358297454 /nfs/dbraw/zinc/29/74/54/358297454.db2.gz XWUGWNNMONIIBW-CHWSQXEVSA-N 2 1 212.381 2.449 10 0 BEAEMP CCc1nc(N[C@@H](C[NH3+])CC(C)C)cc(C)[nH+]1 ZINC000310274528 358443656 /nfs/dbraw/zinc/44/36/56/358443656.db2.gz SIBDMKDIEPDAHX-LLVKDONJSA-N 2 1 236.363 2.133 10 0 BEAEMP C[C@@H]1CC[N@@H+](Cc2cc[nH]c2)C[C@H]1n1ccnc1 ZINC000246435456 359084262 /nfs/dbraw/zinc/08/42/62/359084262.db2.gz NDKNSLMEBJESOY-TZMCWYRMSA-N 2 1 244.342 2.294 10 0 BEAEMP CC(C)(C)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000093604584 360263275 /nfs/dbraw/zinc/26/32/75/360263275.db2.gz DONPZKFWCABRAB-CYBMUJFWSA-N 2 1 224.392 2.450 10 0 BEAEMP Cc1ccsc1[C@@H]1[C@@H](C[NH3+])CC[N@@H+]1C ZINC000069796099 360556962 /nfs/dbraw/zinc/55/69/62/360556962.db2.gz TYFSIFPOEJGSAA-ZJUUUORDSA-N 2 1 210.346 2.008 10 0 BEAEMP Cc1ccsc1[C@@H]1[C@H](C[NH3+])CC[N@@H+]1C ZINC000069796095 360557162 /nfs/dbraw/zinc/55/71/62/360557162.db2.gz TYFSIFPOEJGSAA-UWVGGRQHSA-N 2 1 210.346 2.008 10 0 BEAEMP CCc1ccc([C@@H]2C[C@@H]([NH3+])CC[N@H+]2C)cc1 ZINC000074081397 541313238 /nfs/dbraw/zinc/31/32/38/541313238.db2.gz SWQJKRNHSDZRRR-KBPBESRZSA-N 2 1 218.344 2.343 10 0 BEAEMP Cc1cc[nH+]c(N[C@H]2CC[C@H](C[NH3+])CC2)c1 ZINC000630558067 364257261 /nfs/dbraw/zinc/25/72/61/364257261.db2.gz WLNXGZBFQHRDRL-HAQNSBGRSA-N 2 1 219.332 2.319 10 0 BEAEMP C[N@@H+](CCC[NH2+]C1CC1)C1CCCCC1 ZINC000037478503 541376898 /nfs/dbraw/zinc/37/68/98/541376898.db2.gz LVPGZRBGUKUDEO-UHFFFAOYSA-N 2 1 210.365 2.393 10 0 BEAEMP CC[N@@H+](CC(C)C)[C@@H]1CCC[C@H](C[NH3+])C1 ZINC000675054243 541433685 /nfs/dbraw/zinc/43/36/85/541433685.db2.gz QSRQVWXHDYTODZ-QWHCGFSZSA-N 2 1 212.381 2.482 10 0 BEAEMP [NH3+]CC[N@H+](C[C@@H]1CCCCO1)C1CCCCC1 ZINC000104303607 181390790 /nfs/dbraw/zinc/39/07/90/181390790.db2.gz ASJSJCQOBRIRNE-AWEZNQCLSA-N 2 1 240.391 2.149 10 0 BEAEMP [NH3+]CC[N@@H+](C[C@@H]1CCCCO1)C1CCCCC1 ZINC000104303607 181390791 /nfs/dbraw/zinc/39/07/91/181390791.db2.gz ASJSJCQOBRIRNE-AWEZNQCLSA-N 2 1 240.391 2.149 10 0 BEAEMP NCC[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000037712953 181396913 /nfs/dbraw/zinc/39/69/13/181396913.db2.gz QDFFIZKJYIFGNO-GFCCVEGCSA-N 2 1 224.735 2.339 10 0 BEAEMP [NH3+]CC[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000037712953 181396914 /nfs/dbraw/zinc/39/69/14/181396914.db2.gz QDFFIZKJYIFGNO-GFCCVEGCSA-N 2 1 224.735 2.339 10 0 BEAEMP C[C@@H]1C[C@@H]([N@@H+]2[C@H](C)CCC[C@@H]2C)CC[NH2+]1 ZINC000675056248 541462496 /nfs/dbraw/zinc/46/24/96/541462496.db2.gz NBIOJMORQJJEIV-NDBYEHHHSA-N 2 1 210.365 2.390 10 0 BEAEMP C[C@H](c1ccoc1)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000380751963 367297013 /nfs/dbraw/zinc/29/70/13/367297013.db2.gz UGDHCERFZZKDDA-NQBHXWOUSA-N 2 1 222.332 2.257 10 0 BEAEMP C[C@H]1C[N@@H+](CCCC2CCC2)C[C@H]1C[NH3+] ZINC000631836730 369088974 /nfs/dbraw/zinc/08/89/74/369088974.db2.gz FZKXJWXTONATET-WCQYABFASA-N 2 1 210.365 2.093 10 0 BEAEMP Cc1ccc(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)c(C)c1 ZINC000631837282 369096770 /nfs/dbraw/zinc/09/67/70/369096770.db2.gz QPGYCBVYQTXIHP-HIFRSBDPSA-N 2 1 232.371 2.330 10 0 BEAEMP CCC(C)(C)CC[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631837982 372630207 /nfs/dbraw/zinc/63/02/07/372630207.db2.gz YLUVTZHTSBIQDK-NWDGAFQWSA-N 2 1 212.381 2.339 10 0 BEAEMP CCc1ccccc1C[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631839059 372633171 /nfs/dbraw/zinc/63/31/71/372633171.db2.gz ZJCXDUNNDPNVOU-DOMZBBRYSA-N 2 1 232.371 2.276 10 0 BEAEMP CC(C)C[C@H](C)C[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631838930 372634330 /nfs/dbraw/zinc/63/43/30/372634330.db2.gz XFNPIURGBFOAOT-AVGNSLFASA-N 2 1 212.381 2.195 10 0 BEAEMP Cc1ccc(C)c(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000631842735 372641461 /nfs/dbraw/zinc/64/14/61/372641461.db2.gz FBSGSNLGATZWEH-HIFRSBDPSA-N 2 1 232.371 2.330 10 0 BEAEMP Cc1ccc(C)c(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000631842737 372641562 /nfs/dbraw/zinc/64/15/62/372641562.db2.gz FBSGSNLGATZWEH-ZFWWWQNUSA-N 2 1 232.371 2.330 10 0 BEAEMP Cc1ccc(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000631843890 372641642 /nfs/dbraw/zinc/64/16/42/372641642.db2.gz SYWXCOLVSSPUKJ-OCCSQVGLSA-N 2 1 218.344 2.022 10 0 BEAEMP C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2)C[C@@H]1C[NH3+] ZINC000631845163 372643824 /nfs/dbraw/zinc/64/38/24/372643824.db2.gz UVCIDVCTSUUJOK-PWSUYJOCSA-N 2 1 238.762 2.367 10 0 BEAEMP CCC[NH2+]CC[N@@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC000245225524 373198418 /nfs/dbraw/zinc/19/84/18/373198418.db2.gz XJJYIGYEJPSVBJ-KBPBESRZSA-N 2 1 224.392 2.498 10 0 BEAEMP CCC[NH2+]CC[N@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC000245225524 373198425 /nfs/dbraw/zinc/19/84/25/373198425.db2.gz XJJYIGYEJPSVBJ-KBPBESRZSA-N 2 1 224.392 2.498 10 0 BEAEMP CC(C)[NH2+]CC[N@@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC000245224858 373198616 /nfs/dbraw/zinc/19/86/16/373198616.db2.gz GRAYTPDGPOMPSD-KBPBESRZSA-N 2 1 224.392 2.497 10 0 BEAEMP CC(C)[NH2+]CC[N@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC000245224858 373198618 /nfs/dbraw/zinc/19/86/18/373198618.db2.gz GRAYTPDGPOMPSD-KBPBESRZSA-N 2 1 224.392 2.497 10 0 BEAEMP CCC[N@@H+](CCO)C[C@@](C)(CC)C[NH2+]C(C)C ZINC000051252811 169165630 /nfs/dbraw/zinc/16/56/30/169165630.db2.gz NRXOLQQEJJSSRR-AWEZNQCLSA-N 2 1 244.423 2.105 10 0 BEAEMP CCC[N@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000068590731 169191697 /nfs/dbraw/zinc/19/16/97/169191697.db2.gz VQBZYKSDBIFFKV-CHWSQXEVSA-N 2 1 210.365 2.251 10 0 BEAEMP CCC[N@@H+]1CCc2nc(C(C)(C)[NH3+])sc2C1 ZINC000041059471 169208026 /nfs/dbraw/zinc/20/80/26/169208026.db2.gz KEWOLNTYWRFWMG-UHFFFAOYSA-N 2 1 239.388 2.105 10 0 BEAEMP CCC[N@H+]1CCc2nc(C(C)(C)[NH3+])sc2C1 ZINC000041059471 169208027 /nfs/dbraw/zinc/20/80/27/169208027.db2.gz KEWOLNTYWRFWMG-UHFFFAOYSA-N 2 1 239.388 2.105 10 0 BEAEMP CCC[NH2+]CC[C@H](C)[N@@H+](CC)C[C@@H]1CCCO1 ZINC000052511166 169261585 /nfs/dbraw/zinc/26/15/85/169261585.db2.gz OPPAWWQIQVFXDU-KBPBESRZSA-N 2 1 242.407 2.266 10 0 BEAEMP CCC[NH2+][C@@H]1CC[N@@H+](CCCOCC)[C@H](C)C1 ZINC000049709349 169282090 /nfs/dbraw/zinc/28/20/90/169282090.db2.gz CYBQGQGIKMZQLS-ZIAGYGMSSA-N 2 1 242.407 2.266 10 0 BEAEMP CCCO[C@@H]1CCC[N@H+](C[C@H]([NH3+])C(C)(C)C)C1 ZINC000042421868 169311642 /nfs/dbraw/zinc/31/16/42/169311642.db2.gz KYXCSTZEJZLOIN-OLZOCXBDSA-N 2 1 242.407 2.251 10 0 BEAEMP CCCO[C@@H]1CCC[N@@H+](C[C@H]([NH3+])C(C)(C)C)C1 ZINC000042421868 169311643 /nfs/dbraw/zinc/31/16/43/169311643.db2.gz KYXCSTZEJZLOIN-OLZOCXBDSA-N 2 1 242.407 2.251 10 0 BEAEMP CCCO[C@@H]1CCC[N@H+]([C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000042420633 169311786 /nfs/dbraw/zinc/31/17/86/169311786.db2.gz GBVVFMRPWMGPGV-MGPQQGTHSA-N 2 1 240.391 2.005 10 0 BEAEMP CCCO[C@H]1CCC[N@H+](C(CC)(CC)C[NH3+])C1 ZINC000042421329 169312025 /nfs/dbraw/zinc/31/20/25/169312025.db2.gz NOCCAVWTSVGKHS-ZDUSSCGKSA-N 2 1 242.407 2.395 10 0 BEAEMP CCCO[C@H]1CCC[N@H+](C[C@@](C)([NH3+])CCC)C1 ZINC000042425524 169312636 /nfs/dbraw/zinc/31/26/36/169312636.db2.gz JAFTYCYFBJHIEH-KBPBESRZSA-N 2 1 242.407 2.395 10 0 BEAEMP CCCO[C@H]1CCC[N@@H+](C[C@@](C)([NH3+])CCC)C1 ZINC000042425524 169312638 /nfs/dbraw/zinc/31/26/38/169312638.db2.gz JAFTYCYFBJHIEH-KBPBESRZSA-N 2 1 242.407 2.395 10 0 BEAEMP CCCO[C@H]1CCC[N@H+](C[C@](C)([NH3+])C2CC2)C1 ZINC000042425517 169313250 /nfs/dbraw/zinc/31/32/50/169313250.db2.gz NFSVTHFUISPVJB-KBPBESRZSA-N 2 1 240.391 2.005 10 0 BEAEMP CCCO[C@H]1CCC[N@@H+](C[C@](C)([NH3+])C2CC2)C1 ZINC000042425517 169313251 /nfs/dbraw/zinc/31/32/51/169313251.db2.gz NFSVTHFUISPVJB-KBPBESRZSA-N 2 1 240.391 2.005 10 0 BEAEMP CCC[C@@H](C)[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000368426360 169370692 /nfs/dbraw/zinc/37/06/92/169370692.db2.gz VVLVCMVNPMANBV-VXGBXAGGSA-N 2 1 221.348 2.224 10 0 BEAEMP c1csc(C[NH2+][C@H]2CCc3[nH+]ccn3C2)c1 ZINC000368842826 183520877 /nfs/dbraw/zinc/52/08/77/183520877.db2.gz AQMUBSWBVCBOIF-JTQLQIEISA-N 2 1 233.340 2.049 10 0 BEAEMP C[C@H](C1CCCC1)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000309393243 383935860 /nfs/dbraw/zinc/93/58/60/383935860.db2.gz FTRYXAJNDOYYPX-YRGRVCCFSA-N 2 1 224.392 2.482 10 0 BEAEMP Cc1cc[nH+]c(N[C@@H](C)CCCC[NH3+])c1 ZINC000308833970 384335954 /nfs/dbraw/zinc/33/59/54/384335954.db2.gz KLZBGAUJVYGMIJ-NSHDSACASA-N 2 1 207.321 2.319 10 0 BEAEMP C[C@@H]1C[C@H]([NH+](C)CCc2ccncc2)CC[N@@H+]1C ZINC000123546840 384566628 /nfs/dbraw/zinc/56/66/28/384566628.db2.gz NBTYWYMYSVOWHV-UKRRQHHQSA-N 2 1 247.386 2.039 10 0 BEAEMP C[C@@H]1C[C@H]([NH+](C)CCc2ccncc2)CC[N@H+]1C ZINC000123546840 384566637 /nfs/dbraw/zinc/56/66/37/384566637.db2.gz NBTYWYMYSVOWHV-UKRRQHHQSA-N 2 1 247.386 2.039 10 0 BEAEMP C[C@@H]1C[C@H]([N@H+](C)CCc2ccncc2)CC[NH+]1C ZINC000123546840 384566641 /nfs/dbraw/zinc/56/66/41/384566641.db2.gz NBTYWYMYSVOWHV-UKRRQHHQSA-N 2 1 247.386 2.039 10 0 BEAEMP C[C@@H]1C[C@H]([N@@H+](C)CCc2ccncc2)CC[NH+]1C ZINC000123546840 384566646 /nfs/dbraw/zinc/56/66/46/384566646.db2.gz NBTYWYMYSVOWHV-UKRRQHHQSA-N 2 1 247.386 2.039 10 0 BEAEMP [NH3+]C[C@@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1 ZINC000011888431 384705826 /nfs/dbraw/zinc/70/58/26/384705826.db2.gz RDHICDHGPRESKH-ZDUSSCGKSA-N 2 1 236.334 2.039 10 0 BEAEMP C[NH+](C)CCC[N@H+]1C[C@H]2[C@@H](C1)C1CCC2CC1 ZINC000026740808 384792250 /nfs/dbraw/zinc/79/22/50/384792250.db2.gz XIGOUYOYBNFUEG-ZMYVRHLSSA-N 2 1 236.403 2.306 10 0 BEAEMP CC[C@H]([NH2+]C[C@H](C)[NH+](CC)CC)C1CC1 ZINC000127663409 384912571 /nfs/dbraw/zinc/91/25/71/384912571.db2.gz COGKCRGXSMALCU-AAEUAGOBSA-N 2 1 212.381 2.495 10 0 BEAEMP COc1ccc(C[NH2+]CC[C@H](C)[NH3+])c(Cl)c1 ZINC000258769867 384943373 /nfs/dbraw/zinc/94/33/73/384943373.db2.gz NYWKUKYOHIETKU-VIFPVBQESA-N 2 1 242.750 2.176 10 0 BEAEMP Fc1ccc(Cl)cc1C[NH2+]C[C@H]1CC[NH2+]C1 ZINC000258835926 384947060 /nfs/dbraw/zinc/94/70/60/384947060.db2.gz GLPCAEJZSGVWBG-VIFPVBQESA-N 2 1 242.725 2.178 10 0 BEAEMP C[NH+](C)[C@@H](C[NH2+][C@H]1CCC1(C)C)C1CC1 ZINC000309034183 385380366 /nfs/dbraw/zinc/38/03/66/385380366.db2.gz HBEKXRABYDSUKS-RYUDHWBXSA-N 2 1 210.365 2.105 10 0 BEAEMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCSC2)C1 ZINC000061588942 385742317 /nfs/dbraw/zinc/74/23/17/385742317.db2.gz DEMWUSNSSPWNMW-CHWSQXEVSA-N 2 1 242.432 2.202 10 0 BEAEMP C[NH2+][C@H](C)C[NH2+][C@@H]1CCCC[C@@H]1C1CC1 ZINC000414964767 385910104 /nfs/dbraw/zinc/91/01/04/385910104.db2.gz CDSCXATVACSGQP-RAIGVLPGSA-N 2 1 210.365 2.153 10 0 BEAEMP CCC[C@@H]1C[C@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000393943851 386188891 /nfs/dbraw/zinc/18/88/91/386188891.db2.gz CKUZDPSZJNLYIS-ZOBORPQBSA-N 2 1 222.376 2.391 10 0 BEAEMP C[N@H+](Cc1ccc(F)cc1)C[C@@]1(C)CC[NH2+]C1 ZINC000062911533 386532490 /nfs/dbraw/zinc/53/24/90/386532490.db2.gz XAUSFIGJHDOOQC-AWEZNQCLSA-N 2 1 236.334 2.257 10 0 BEAEMP C[N@@H+](Cc1ccc(F)cc1)C[C@@]1(C)CC[NH2+]C1 ZINC000062911533 386532497 /nfs/dbraw/zinc/53/24/97/386532497.db2.gz XAUSFIGJHDOOQC-AWEZNQCLSA-N 2 1 236.334 2.257 10 0 BEAEMP Cc1cc[nH+]c(N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000043561776 386709454 /nfs/dbraw/zinc/70/94/54/386709454.db2.gz NYOJOHJLONNNJX-FUNVUKJBSA-N 2 1 231.343 2.109 10 0 BEAEMP CCc1ccc(C[NH+]2CCC([NH2+]C)CC2)cc1 ZINC000049961196 386683570 /nfs/dbraw/zinc/68/35/70/386683570.db2.gz DKNMCRDFWKLSBM-UHFFFAOYSA-N 2 1 232.371 2.433 10 0 BEAEMP Cn1ccnc1C[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000187718589 387231592 /nfs/dbraw/zinc/23/15/92/387231592.db2.gz AXJMSOYWUUUGGP-LBPRGKRZSA-N 2 1 233.359 2.227 10 0 BEAEMP Cn1ccnc1C[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000187718608 387231829 /nfs/dbraw/zinc/23/18/29/387231829.db2.gz AXJMSOYWUUUGGP-GFCCVEGCSA-N 2 1 233.359 2.227 10 0 BEAEMP CC(C)(CC[NH2+][C@H]1CC[NH2+]C1)c1ccccc1 ZINC000643463547 387348442 /nfs/dbraw/zinc/34/84/42/387348442.db2.gz CQFMRJXFISWVJJ-AWEZNQCLSA-N 2 1 232.371 2.306 10 0 BEAEMP C[C@@H]([NH2+][C@H](C)C1C[NH2+]C1)c1ccc(F)c(F)c1 ZINC000422731688 387640729 /nfs/dbraw/zinc/64/07/29/387640729.db2.gz OAGSXVRVOOXANM-RKDXNWHRSA-N 2 1 240.297 2.223 10 0 BEAEMP CCSCC[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123215275 387669017 /nfs/dbraw/zinc/66/90/17/387669017.db2.gz MGNJOUBBMRPZRK-VXGBXAGGSA-N 2 1 230.421 2.154 10 0 BEAEMP CCSCC[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123215275 387669020 /nfs/dbraw/zinc/66/90/20/387669020.db2.gz MGNJOUBBMRPZRK-VXGBXAGGSA-N 2 1 230.421 2.154 10 0 BEAEMP CCSCC[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123215275 387669023 /nfs/dbraw/zinc/66/90/23/387669023.db2.gz MGNJOUBBMRPZRK-VXGBXAGGSA-N 2 1 230.421 2.154 10 0 BEAEMP CCSCC[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123215275 387669028 /nfs/dbraw/zinc/66/90/28/387669028.db2.gz MGNJOUBBMRPZRK-VXGBXAGGSA-N 2 1 230.421 2.154 10 0 BEAEMP [NH3+][C@@]1(C2CC2)CCC[N@H+](Cc2ccccc2)C1 ZINC000575561792 387707136 /nfs/dbraw/zinc/70/71/36/387707136.db2.gz VDWGBFUVKDGPCP-HNNXBMFYSA-N 2 1 230.355 2.390 10 0 BEAEMP [NH3+][C@@]1(C2CC2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000575561792 387707143 /nfs/dbraw/zinc/70/71/43/387707143.db2.gz VDWGBFUVKDGPCP-HNNXBMFYSA-N 2 1 230.355 2.390 10 0 BEAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)[C@@H](C)[C@H]1[NH3+] ZINC000238850681 387936153 /nfs/dbraw/zinc/93/61/53/387936153.db2.gz CNGGMQNYSIBNDV-BHPKHCPMSA-N 2 1 232.371 2.490 10 0 BEAEMP C[C@H]([NH2+][C@@H]1CCC[NH2+][C@H]1C)C1CCCC1 ZINC000396646582 387928491 /nfs/dbraw/zinc/92/84/91/387928491.db2.gz CHESCNUPURHXCY-GMXVVIOVSA-N 2 1 210.365 2.295 10 0 BEAEMP C[C@H](c1cccc(O)c1)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000310887881 388489832 /nfs/dbraw/zinc/48/98/32/388489832.db2.gz JUVGAWKKVOHQMH-LALPHHSUSA-N 2 1 248.370 2.370 10 0 BEAEMP CCC[C@@H]1C[C@H]1[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000222160708 388613720 /nfs/dbraw/zinc/61/37/20/388613720.db2.gz BAOUMAKRZSBJQF-UMSGYPCISA-N 2 1 210.365 2.247 10 0 BEAEMP CCC[C@@H]1C[C@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000222160708 388613724 /nfs/dbraw/zinc/61/37/24/388613724.db2.gz BAOUMAKRZSBJQF-UMSGYPCISA-N 2 1 210.365 2.247 10 0 BEAEMP CCC[C@H](C)[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000368426359 388568169 /nfs/dbraw/zinc/56/81/69/388568169.db2.gz VVLVCMVNPMANBV-RYUDHWBXSA-N 2 1 221.348 2.224 10 0 BEAEMP C[N@@H+](CC1CC(C)(C)C1)[C@H]1CCC[NH2+]CC1 ZINC000530216679 388630227 /nfs/dbraw/zinc/63/02/27/388630227.db2.gz BUMSZMKIEFXEQN-ZDUSSCGKSA-N 2 1 224.392 2.497 10 0 BEAEMP CC1(C)CC(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)C1 ZINC000530220263 388632118 /nfs/dbraw/zinc/63/21/18/388632118.db2.gz TZBWJFCBNDHOCP-RWMBFGLXSA-N 2 1 222.376 2.092 10 0 BEAEMP C(=C/c1ccccc1)\C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261553070 533353908 /nfs/dbraw/zinc/35/39/08/533353908.db2.gz ACBSYRKGRYGNKV-KEMBLGFASA-N 2 1 242.366 2.384 10 0 BEAEMP C(=C/c1ccccc1)\C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261553070 533353913 /nfs/dbraw/zinc/35/39/13/533353913.db2.gz ACBSYRKGRYGNKV-KEMBLGFASA-N 2 1 242.366 2.384 10 0 BEAEMP C[C@@H]([NH2+]Cc1ccccc1Cl)[C@H]1CC[NH2+]C1 ZINC000400764471 533460161 /nfs/dbraw/zinc/46/01/61/533460161.db2.gz YYLMASQBKLDUNB-MNOVXSKESA-N 2 1 238.762 2.428 10 0 BEAEMP Cc1cccc(N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)[nH+]1 ZINC000037918366 132345861 /nfs/dbraw/zinc/34/58/61/132345861.db2.gz IJLMEXOFDLVIQK-KBPBESRZSA-N 2 1 245.370 2.358 10 0 BEAEMP CC[NH+](CC)c1ccc(N2CC[NH2+]C[C@H]2C)cc1 ZINC000058449490 132368240 /nfs/dbraw/zinc/36/82/40/132368240.db2.gz UFIAUWUETWGZQZ-CYBMUJFWSA-N 2 1 247.386 2.331 10 0 BEAEMP Cc1ccc[nH+]c1N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063201508 132389215 /nfs/dbraw/zinc/38/92/15/132389215.db2.gz UWPZQQYLCITBFQ-CQSZACIVSA-N 2 1 245.370 2.358 10 0 BEAEMP C[C@@H]1CCCN(c2cc[nH+]cc2Cl)[C@H]1C[NH3+] ZINC000252151862 133648836 /nfs/dbraw/zinc/64/88/36/133648836.db2.gz MPXJOXMKTWTCFP-SKDRFNHKSA-N 2 1 239.750 2.299 10 0 BEAEMP Cc1cc[nH+]c(N(C)CC[C@H]([NH3+])C(C)C)c1 ZINC000227738624 134385530 /nfs/dbraw/zinc/38/55/30/134385530.db2.gz BEYLRQADLUITCO-LBPRGKRZSA-N 2 1 221.348 2.200 10 0 BEAEMP CC(C)[C@H]([NH3+])CNc1cc[nH+]cc1Cl ZINC000086840045 135097694 /nfs/dbraw/zinc/09/76/94/135097694.db2.gz ZWWFSZCZDNDADX-SECBINFHSA-N 2 1 213.712 2.130 10 0 BEAEMP CC1(C[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)CCC1 ZINC000261530835 135158794 /nfs/dbraw/zinc/15/87/94/135158794.db2.gz DGQDOQFWEMIUGA-LLVKDONJSA-N 2 1 210.365 2.236 10 0 BEAEMP C[C@H]1[C@H]([NH3+])CC[N@H+]1CC1CCC(C)CC1 ZINC000261536981 135173397 /nfs/dbraw/zinc/17/33/97/135173397.db2.gz ULIUWVVUIDXIOR-PYNQCMFNSA-N 2 1 210.365 2.234 10 0 BEAEMP [NH3+]C[C@@H]1CCC[N@@H+](C[C@H]2CCCC(F)(F)C2)C1 ZINC000261538157 135175449 /nfs/dbraw/zinc/17/54/49/135175449.db2.gz JYNKNPGEKVJAPV-RYUDHWBXSA-N 2 1 246.345 2.483 10 0 BEAEMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1C[C@H]1CCCC(F)(F)C1 ZINC000261538252 135175756 /nfs/dbraw/zinc/17/57/56/135175756.db2.gz UGEOONNLIBNMLK-WOPDTQHZSA-N 2 1 246.345 2.481 10 0 BEAEMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1C[C@@H]1CCCC(F)(F)C1 ZINC000261538248 135175858 /nfs/dbraw/zinc/17/58/58/135175858.db2.gz UGEOONNLIBNMLK-IJLUTSLNSA-N 2 1 246.345 2.481 10 0 BEAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCCC3CCC3)C[C@@H]12 ZINC000662266338 409565232 /nfs/dbraw/zinc/56/52/32/409565232.db2.gz MDCDQXZFVRURQQ-BFHYXJOUSA-N 2 1 222.376 2.236 10 0 BEAEMP [NH3+]C[C@@H]1CCC[N@@H+]1C[C@H]1CCCCC1(F)F ZINC000394538825 410802188 /nfs/dbraw/zinc/80/21/88/410802188.db2.gz WHQBGXOUBSPVNB-MNOVXSKESA-N 2 1 232.318 2.235 10 0 BEAEMP [NH3+]C[C@@H]1CCC[N@H+]1C[C@H]1CCCCC1(F)F ZINC000394538825 410802193 /nfs/dbraw/zinc/80/21/93/410802193.db2.gz WHQBGXOUBSPVNB-MNOVXSKESA-N 2 1 232.318 2.235 10 0 BEAEMP C[C@H](Cc1cccs1)[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000396640910 410892237 /nfs/dbraw/zinc/89/22/37/410892237.db2.gz MVHRREMUPQUICM-NQBHXWOUSA-N 2 1 238.400 2.409 10 0 BEAEMP CC(C)C[NH2+]CCC[C@H](C)[N@H+]1CCO[C@H](C)C1 ZINC000052382618 167002494 /nfs/dbraw/zinc/00/24/94/167002494.db2.gz VVKSTHPNDYXGAH-UONOGXRCSA-N 2 1 242.407 2.121 10 0 BEAEMP CC(C)[C@@H](C)[N@@H+](C)Cc1ccc(C(N)=[NH2+])cc1 ZINC000036787457 167368105 /nfs/dbraw/zinc/36/81/05/167368105.db2.gz ANNDDLVFHBIVTN-LLVKDONJSA-N 2 1 233.359 2.447 10 0 BEAEMP CC(C)[C@@H](C)[NH2+]CC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000038019019 167380625 /nfs/dbraw/zinc/38/06/25/167380625.db2.gz JFEDNZGPYQDYTA-RLAWYHOSSA-N 2 1 224.392 2.493 10 0 BEAEMP CC(C)[C@@H](C)[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000309670072 167381904 /nfs/dbraw/zinc/38/19/04/167381904.db2.gz JMFBCUIFHDIUMO-VXGBXAGGSA-N 2 1 221.348 2.080 10 0 BEAEMP CC(C)[C@@H](C[NH+](C)C)NC(=[NH2+])Nc1ccccc1 ZINC000052048360 167395763 /nfs/dbraw/zinc/39/57/63/167395763.db2.gz XXRNKZWJLSODKM-CYBMUJFWSA-N 2 1 248.374 2.209 10 0 BEAEMP C[C@H](C[NH3+])CNc1[nH+]ccc2ccccc21 ZINC000123806746 411168677 /nfs/dbraw/zinc/16/86/77/411168677.db2.gz GNLWYBMEISMPBK-SNVBAGLBSA-N 2 1 215.300 2.242 10 0 BEAEMP C[C@@H]1C[N@H+](C2CCC(C)CC2)C[C@@]1(C)C[NH3+] ZINC000309190705 168158971 /nfs/dbraw/zinc/15/89/71/168158971.db2.gz IREHWNVMXFVKFC-FKZOYECMSA-N 2 1 224.392 2.482 10 0 BEAEMP CC1CCC([N@H+]2CC[C@H]([NH3+])C[C@@H]2C)CC1 ZINC000049709751 168159739 /nfs/dbraw/zinc/15/97/39/168159739.db2.gz SUIGBUCAFLGZNL-ZFQMDJOTSA-N 2 1 210.365 2.377 10 0 BEAEMP CC1CCC([N@@H+](C)C[C@]2(C)CC[NH2+]C2)CC1 ZINC000062911687 168159972 /nfs/dbraw/zinc/15/99/72/168159972.db2.gz PYDGKXIXTIBCPE-JXQTWKCFSA-N 2 1 224.392 2.497 10 0 BEAEMP CC[NH2+]CCC[C@H](C)[N@@H+](C)CCc1ccccn1 ZINC000052423923 170112892 /nfs/dbraw/zinc/11/28/92/170112892.db2.gz QTEQTABMSDWTAU-AWEZNQCLSA-N 2 1 249.402 2.334 10 0 BEAEMP CC[NH2+]Cc1ccc(OCC[N@@H+](C)CC)cc1 ZINC000052446110 170127402 /nfs/dbraw/zinc/12/74/02/170127402.db2.gz WKWGHQRUKDSHDE-UHFFFAOYSA-N 2 1 236.359 2.127 10 0 BEAEMP CC[NH2+]Cc1cccc(Cn2cc[nH+]c2C)c1 ZINC000052576060 170128570 /nfs/dbraw/zinc/12/85/70/170128570.db2.gz LZYVOGYAFNYUDR-UHFFFAOYSA-N 2 1 229.327 2.349 10 0 BEAEMP CC[NH2+][C@@H]1CCC[C@@H]1C[N@H+]1CCCSCC1 ZINC000053879669 170150976 /nfs/dbraw/zinc/15/09/76/170150976.db2.gz ODULMMFCECUKQI-CHWSQXEVSA-N 2 1 242.432 2.204 10 0 BEAEMP CC[NH2+][C@@H]1CC[N@@H+](CC2CCC2)C[C@@H]1C ZINC000049710559 170151268 /nfs/dbraw/zinc/15/12/68/170151268.db2.gz NCPQFLMNBGKZBZ-WCQYABFASA-N 2 1 210.365 2.106 10 0 BEAEMP CC[NH2+][C@@H]1CC[N@H+](CCc2ccncc2)[C@H](C)C1 ZINC000049712971 170151642 /nfs/dbraw/zinc/15/16/42/170151642.db2.gz YCCKUSVXGNFAOV-UKRRQHHQSA-N 2 1 247.386 2.087 10 0 BEAEMP CC[NH2+][C@@H]1CC[N@@H+](CCc2ccncc2)[C@H](C)C1 ZINC000049712971 170151643 /nfs/dbraw/zinc/15/16/43/170151643.db2.gz YCCKUSVXGNFAOV-UKRRQHHQSA-N 2 1 247.386 2.087 10 0 BEAEMP CC[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCCO2)[C@H](C)C1 ZINC000042821806 170152148 /nfs/dbraw/zinc/15/21/48/170152148.db2.gz RQBUQTSDNGCSJD-MCIONIFRSA-N 2 1 240.391 2.018 10 0 BEAEMP CC[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCCO2)[C@H](C)C1 ZINC000042821806 170152150 /nfs/dbraw/zinc/15/21/50/170152150.db2.gz RQBUQTSDNGCSJD-MCIONIFRSA-N 2 1 240.391 2.018 10 0 BEAEMP CC[NH2+][C@H](CC[N@@H+](CC)CCOC)C(C)(C)C ZINC000054029059 170161685 /nfs/dbraw/zinc/16/16/85/170161685.db2.gz GTQGUEOKTPYTGU-CYBMUJFWSA-N 2 1 244.423 2.369 10 0 BEAEMP CC[NH2+][C@H]1CC[N@@H+](CC(C)(C)C)C[C@@H]1C ZINC000049713170 170166700 /nfs/dbraw/zinc/16/67/00/170166700.db2.gz CIWPUYJPDHRDOJ-RYUDHWBXSA-N 2 1 212.381 2.352 10 0 BEAEMP CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1[N@H+](C)CCCOC ZINC000062031194 170169104 /nfs/dbraw/zinc/16/91/04/170169104.db2.gz DYNWJXPWLATRHL-IHRRRGAJSA-N 2 1 242.407 2.121 10 0 BEAEMP CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1[N@@H+](C)CCCOC ZINC000062031194 170169105 /nfs/dbraw/zinc/16/91/05/170169105.db2.gz DYNWJXPWLATRHL-IHRRRGAJSA-N 2 1 242.407 2.121 10 0 BEAEMP CCOCCCC[NH2+]CC[N@@H+]1CCC[C@H]1CC ZINC000053343093 170369603 /nfs/dbraw/zinc/36/96/03/170369603.db2.gz XODVQBGCUKCLFS-CQSZACIVSA-N 2 1 242.407 2.267 10 0 BEAEMP CCOCCCC[NH2+]CC[N@H+]1CCC[C@H]1CC ZINC000053343093 170369604 /nfs/dbraw/zinc/36/96/04/170369604.db2.gz XODVQBGCUKCLFS-CQSZACIVSA-N 2 1 242.407 2.267 10 0 BEAEMP CCOCCC[NH2+]CC[N@@H+]1CCCC[C@H]1CC ZINC000053375591 170381018 /nfs/dbraw/zinc/38/10/18/170381018.db2.gz UENDMRJWNWSSEU-CQSZACIVSA-N 2 1 242.407 2.267 10 0 BEAEMP CCOCCC[NH2+]CC[N@H+]1CCCC[C@H]1CC ZINC000053375591 170381019 /nfs/dbraw/zinc/38/10/19/170381019.db2.gz UENDMRJWNWSSEU-CQSZACIVSA-N 2 1 242.407 2.267 10 0 BEAEMP CCOCC[N@H+](CC)[C@H](C[NH2+]C1CC1)C(C)C ZINC000104187749 170396571 /nfs/dbraw/zinc/39/65/71/170396571.db2.gz NKHBDQVGKHREIF-CQSZACIVSA-N 2 1 242.407 2.121 10 0 BEAEMP CCOCC[N@@H+](CC)[C@H](C[NH2+]C1CC1)C(C)C ZINC000104187749 170396572 /nfs/dbraw/zinc/39/65/72/170396572.db2.gz NKHBDQVGKHREIF-CQSZACIVSA-N 2 1 242.407 2.121 10 0 BEAEMP CC[C@@H]1CC[N@@H+](CCc2ccco2)CCC[NH2+]1 ZINC000049667364 171011678 /nfs/dbraw/zinc/01/16/78/171011678.db2.gz SJRJLAYFGKLDMC-CYBMUJFWSA-N 2 1 236.359 2.286 10 0 BEAEMP CC[C@@H]1CC[N@@H+](CCc2cccnc2)CCC[NH2+]1 ZINC000049666848 171012687 /nfs/dbraw/zinc/01/26/87/171012687.db2.gz GTBWKVIKCCRGLM-OAHLLOKOSA-N 2 1 247.386 2.088 10 0 BEAEMP CC[C@@H]1CC[C@H]([NH3+])[C@H]([N@H+](CCOC)C2CC2)C1 ZINC000042518156 171056694 /nfs/dbraw/zinc/05/66/94/171056694.db2.gz GTPLLROYJJQXPO-KWCYVHTRSA-N 2 1 240.391 2.003 10 0 BEAEMP CC[C@@H]1CC[C@H]([NH3+])[C@H]([N@@H+](CCOC)C2CC2)C1 ZINC000042518156 171056697 /nfs/dbraw/zinc/05/66/97/171056697.db2.gz GTPLLROYJJQXPO-KWCYVHTRSA-N 2 1 240.391 2.003 10 0 BEAEMP CC[C@@H]1C[N@H+](C[C@@H]2CCCCC[C@@H]2[NH3+])CCO1 ZINC000053866749 171086219 /nfs/dbraw/zinc/08/62/19/171086219.db2.gz SCUKECRIWZNOAE-MJBXVCDLSA-N 2 1 240.391 2.005 10 0 BEAEMP CC[C@@H]1C[N@@H+](C[C@@H]2CCCCC[C@@H]2[NH3+])CCO1 ZINC000053866749 171086220 /nfs/dbraw/zinc/08/62/20/171086220.db2.gz SCUKECRIWZNOAE-MJBXVCDLSA-N 2 1 240.391 2.005 10 0 BEAEMP CC[C@H](C)C[N@H+]1CCC[NH2+][C@@H](CC)CC1 ZINC000054490872 171279675 /nfs/dbraw/zinc/27/96/75/171279675.db2.gz XNEMSZIOEIYGQT-STQMWFEESA-N 2 1 212.381 2.497 10 0 BEAEMP CCc1[nH+]ccn1[C@@H]1CCCC[C@@H]1[NH2+]C ZINC000044037460 172028693 /nfs/dbraw/zinc/02/86/93/172028693.db2.gz YJFRFDGJGUAAJU-WDEREUQCSA-N 2 1 207.321 2.149 10 0 BEAEMP CCc1[nH+]ccn1[C@H](C[NH3+])c1cccs1 ZINC000043107468 172028930 /nfs/dbraw/zinc/02/89/30/172028930.db2.gz GVTVXXBWIKRIJT-SECBINFHSA-N 2 1 221.329 2.055 10 0 BEAEMP C[N@H+]1CCC[C@@H]1CCOCc1ccc(C[NH3+])cc1 ZINC000052673317 173027772 /nfs/dbraw/zinc/02/77/72/173027772.db2.gz PMSWHSFWCOCUFL-OAHLLOKOSA-N 2 1 248.370 2.146 10 0 BEAEMP C[N@H+]1CCC[C@H]1CCOCc1ccc(C[NH3+])cc1 ZINC000052673319 173054918 /nfs/dbraw/zinc/05/49/18/173054918.db2.gz PMSWHSFWCOCUFL-HNNXBMFYSA-N 2 1 248.370 2.146 10 0 BEAEMP C[NH2+]C1CC[NH+]([C@@H](C)Cc2ccsc2)CC1 ZINC000049183897 173324411 /nfs/dbraw/zinc/32/44/11/173324411.db2.gz LUKVEWFWEABINI-NSHDSACASA-N 2 1 238.400 2.363 10 0 BEAEMP C[NH2+]CCCC[N@@H+](C)Cc1ccccc1OC ZINC000042442414 173345368 /nfs/dbraw/zinc/34/53/68/173345368.db2.gz XAWCEAVKQBEISK-UHFFFAOYSA-N 2 1 236.359 2.127 10 0 BEAEMP C[NH2+]CCOCc1ccc2nc(C(C)C)[nH]c2c1 ZINC000077418411 173357157 /nfs/dbraw/zinc/35/71/57/173357157.db2.gz YPDOFHQPCKSTQE-UHFFFAOYSA-N 2 1 247.342 2.422 10 0 BEAEMP C[NH2+]C[C@@H]1CC[N@H+]([C@@H]2CCOc3ccccc32)C1 ZINC000053035113 173371218 /nfs/dbraw/zinc/37/12/18/173371218.db2.gz KVPVMEZNRZCBIM-GXTWGEPZSA-N 2 1 246.354 2.052 10 0 BEAEMP C[NH2+]C[C@H]1CCC[N@H+]([C@H](C)C2CCCC2)C1 ZINC000054082009 173379164 /nfs/dbraw/zinc/37/91/64/173379164.db2.gz SPWYLWMRRJQOBD-CHWSQXEVSA-N 2 1 224.392 2.497 10 0 BEAEMP C[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](C)C1 ZINC000052484678 173390583 /nfs/dbraw/zinc/39/05/83/173390583.db2.gz LWOAIRHYVHAXGE-GFCCVEGCSA-N 2 1 218.344 2.248 10 0 BEAEMP C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1C ZINC000052376132 173390855 /nfs/dbraw/zinc/39/08/55/173390855.db2.gz GZXCKNGFJBPCRH-GFCCVEGCSA-N 2 1 218.344 2.390 10 0 BEAEMP C[NH2+]Cc1coc(C[N@H+]2CCCC[C@@H]2C)c1 ZINC000052378906 173393917 /nfs/dbraw/zinc/39/39/17/173393917.db2.gz VESPAGSBOLWMFA-NSHDSACASA-N 2 1 222.332 2.373 10 0 BEAEMP COCCCCC[N@@H+](C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000124048269 174176250 /nfs/dbraw/zinc/17/62/50/174176250.db2.gz XQSOTEZEVIWDHR-ZIAGYGMSSA-N 2 1 242.407 2.218 10 0 BEAEMP COCCCCC[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000124048269 174176252 /nfs/dbraw/zinc/17/62/52/174176252.db2.gz XQSOTEZEVIWDHR-ZIAGYGMSSA-N 2 1 242.407 2.218 10 0 BEAEMP COCCCCC[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000124048269 174176255 /nfs/dbraw/zinc/17/62/55/174176255.db2.gz XQSOTEZEVIWDHR-ZIAGYGMSSA-N 2 1 242.407 2.218 10 0 BEAEMP COCCCCC[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000124048269 174176257 /nfs/dbraw/zinc/17/62/57/174176257.db2.gz XQSOTEZEVIWDHR-ZIAGYGMSSA-N 2 1 242.407 2.218 10 0 BEAEMP COCCCCC[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000124048269 174176258 /nfs/dbraw/zinc/17/62/58/174176258.db2.gz XQSOTEZEVIWDHR-ZIAGYGMSSA-N 2 1 242.407 2.218 10 0 BEAEMP COCC[N@@H+]([C@@H](C)C1CC1)C1CCC([NH3+])CC1 ZINC000055144613 174285107 /nfs/dbraw/zinc/28/51/07/174285107.db2.gz BDFUVXFGRAMSEH-XGNXJENSSA-N 2 1 240.391 2.003 10 0 BEAEMP COCC[N@H+](C1CC1)[C@@]1(C[NH3+])CCCC[C@@H]1C ZINC000042517900 174285245 /nfs/dbraw/zinc/28/52/45/174285245.db2.gz FEMBKSWMOJKWQO-GXTWGEPZSA-N 2 1 240.391 2.005 10 0 BEAEMP COCC[N@@H+](C1CC1)[C@@]1(C[NH3+])CCCC[C@@H]1C ZINC000042517900 174285247 /nfs/dbraw/zinc/28/52/47/174285247.db2.gz FEMBKSWMOJKWQO-GXTWGEPZSA-N 2 1 240.391 2.005 10 0 BEAEMP COCC[N@@H+](CC(C)C)[C@@H]1C[C@H](C)CC[C@@H]1[NH3+] ZINC000042368723 174287149 /nfs/dbraw/zinc/28/71/49/174287149.db2.gz VUTXUBNYPNFXCQ-HZSPNIEDSA-N 2 1 242.407 2.107 10 0 BEAEMP COCC[N@@H+](CC(C)C)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000053858761 174287240 /nfs/dbraw/zinc/28/72/40/174287240.db2.gz MZGOMVLQUXGDMB-KGLIPLIRSA-N 2 1 242.407 2.108 10 0 BEAEMP COc1ccc(C)cc1[C@@H]([NH3+])Cn1cc[nH+]c1C ZINC000023070234 175079957 /nfs/dbraw/zinc/07/99/57/175079957.db2.gz OFZKVVNJRALBNL-ZDUSSCGKSA-N 2 1 245.326 2.209 10 0 BEAEMP COc1ccc(C[N@@H+](C)C[C@]2(C)CC[NH2+]C2)cc1 ZINC000062911576 175095322 /nfs/dbraw/zinc/09/53/22/175095322.db2.gz SPFJZXGBOBHBEC-OAHLLOKOSA-N 2 1 248.370 2.127 10 0 BEAEMP COc1ccc(C[N@@H+](C)C[C@@]2(C)CC[NH2+]C2)cc1 ZINC000062911575 175095934 /nfs/dbraw/zinc/09/59/34/175095934.db2.gz SPFJZXGBOBHBEC-HNNXBMFYSA-N 2 1 248.370 2.127 10 0 BEAEMP COc1ccc2cc[nH+]c(NCCC[NH3+])c2c1 ZINC000082766038 175226784 /nfs/dbraw/zinc/22/67/84/175226784.db2.gz AQAGWQDGRFSOBH-UHFFFAOYSA-N 2 1 231.299 2.004 10 0 BEAEMP COc1cccc([C@@H]([C@H](C)[NH3+])n2cc[nH+]c2C)c1 ZINC000043028781 175289416 /nfs/dbraw/zinc/28/94/16/175289416.db2.gz ATYJWLYQLZZOIN-IINYFYTJSA-N 2 1 245.326 2.137 10 0 BEAEMP COc1cccc([C@H](C)[N@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000050245106 175292672 /nfs/dbraw/zinc/29/26/72/175292672.db2.gz VCXTXKXNJZLDCD-NWDGAFQWSA-N 2 1 234.343 2.037 10 0 BEAEMP COc1cccc([C@H]([C@H](C)[NH3+])n2cc[nH+]c2C)c1 ZINC000043028783 175295847 /nfs/dbraw/zinc/29/58/47/175295847.db2.gz ATYJWLYQLZZOIN-HZMBPMFUSA-N 2 1 245.326 2.137 10 0 BEAEMP COc1ccccc1[C@H]([NH3+])Cn1c[nH+]c(C)c1C ZINC000051926540 175353816 /nfs/dbraw/zinc/35/38/16/175353816.db2.gz TWGYJPJBIOHGOA-CYBMUJFWSA-N 2 1 245.326 2.209 10 0 BEAEMP C[C@@H](c1cccnc1)[N@H+]1CC[C@@H](C)[NH2+]C[C@@H](C)C1 ZINC000049666648 176030116 /nfs/dbraw/zinc/03/01/16/176030116.db2.gz IZEDBLFTOCXBSI-MCIONIFRSA-N 2 1 247.386 2.463 10 0 BEAEMP C[C@@H](c1ccco1)[N@@H+](C)CC1CC[NH2+]CC1 ZINC000086701685 176031548 /nfs/dbraw/zinc/03/15/48/176031548.db2.gz AEWORAOHILWFQP-NSHDSACASA-N 2 1 222.332 2.272 10 0 BEAEMP C[C@@H](c1cccs1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000035737082 176033713 /nfs/dbraw/zinc/03/37/13/176033713.db2.gz XZDHMSCIVWBHAY-VHSXEESVSA-N 2 1 210.346 2.090 10 0 BEAEMP C[C@@H]1CCCC[N@H+]1Cc1cccc(C(N)=[NH2+])c1 ZINC000019482633 176073608 /nfs/dbraw/zinc/07/36/08/176073608.db2.gz ZILRBMXBUYMYDY-LLVKDONJSA-N 2 1 231.343 2.345 10 0 BEAEMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C(N)=[NH2+])cc1F ZINC000019480603 176073741 /nfs/dbraw/zinc/07/37/41/176073741.db2.gz HFGQBOPDJPMFRX-SNVBAGLBSA-N 2 1 249.333 2.484 10 0 BEAEMP C[C@@H]1CCC[N@@H+](CC2CCC([NH3+])CC2)C1 ZINC000037482377 176097055 /nfs/dbraw/zinc/09/70/55/176097055.db2.gz CYCMNDPORZCZRL-PNESKVBLSA-N 2 1 210.365 2.236 10 0 BEAEMP C[C@@H]1CCC[N@@H+](Cc2ccc(C(N)=[NH2+])cc2F)C1 ZINC000019519613 176099648 /nfs/dbraw/zinc/09/96/48/176099648.db2.gz XOBHQFCXJYZBLI-SNVBAGLBSA-N 2 1 249.333 2.342 10 0 BEAEMP C[C@@H]1CCC[N@H+]1Cc1ccc(C(N)=[NH2+])cc1F ZINC000037911066 176107900 /nfs/dbraw/zinc/10/79/00/176107900.db2.gz JSMRXWKKEWHQAV-SECBINFHSA-N 2 1 235.306 2.094 10 0 BEAEMP C[C@@H]1CCC[N@H+]1Cc1cc(C[NH3+])ccc1F ZINC000037910075 176108998 /nfs/dbraw/zinc/10/89/98/176108998.db2.gz VSSWZXRNMNPJGC-SNVBAGLBSA-N 2 1 222.307 2.269 10 0 BEAEMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1cccc(F)c1 ZINC000044412935 176201728 /nfs/dbraw/zinc/20/17/28/176201728.db2.gz XIPMFJXMWYKXRY-YPMHNXCESA-N 2 1 236.334 2.385 10 0 BEAEMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)Cc1cccc(F)c1 ZINC000104213273 176329684 /nfs/dbraw/zinc/32/96/84/176329684.db2.gz LYEOSURBGWKXKR-YPMHNXCESA-N 2 1 236.334 2.113 10 0 BEAEMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)Cc1cccc(F)c1 ZINC000104213273 176329686 /nfs/dbraw/zinc/32/96/86/176329686.db2.gz LYEOSURBGWKXKR-YPMHNXCESA-N 2 1 236.334 2.113 10 0 BEAEMP C[C@@H]1C[C@@H](CC[NH3+])C[N@H+]1Cc1ccccc1 ZINC000083254965 176366577 /nfs/dbraw/zinc/36/65/77/176366577.db2.gz MNHIPMWKEKKGBU-TZMCWYRMSA-N 2 1 218.344 2.246 10 0 BEAEMP C[C@H](c1ccco1)[N@@H+](C)CC1CC[NH2+]CC1 ZINC000086701687 177047229 /nfs/dbraw/zinc/04/72/29/177047229.db2.gz AEWORAOHILWFQP-LLVKDONJSA-N 2 1 222.332 2.272 10 0 BEAEMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000058058451 177077195 /nfs/dbraw/zinc/07/71/95/177077195.db2.gz HVQXIJXDQHORAG-AVGNSLFASA-N 2 1 210.365 2.378 10 0 BEAEMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C(N)=[NH2+] ZINC000019437765 177077798 /nfs/dbraw/zinc/07/77/98/177077798.db2.gz OGVXRKCJKAZMHG-NSHDSACASA-N 2 1 231.343 2.345 10 0 BEAEMP C[C@H]1CCC[N@@H+](Cc2ccc(C(N)=[NH2+])cc2F)C1 ZINC000019519614 177099914 /nfs/dbraw/zinc/09/99/14/177099914.db2.gz XOBHQFCXJYZBLI-JTQLQIEISA-N 2 1 249.333 2.342 10 0 BEAEMP C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1occc1C[NH3+] ZINC000052373319 177103641 /nfs/dbraw/zinc/10/36/41/177103641.db2.gz OUINUMFZGWQVJF-WDEREUQCSA-N 2 1 222.332 2.359 10 0 BEAEMP C[C@H]1CCC[N@H+]1CCCOc1cccc(C[NH3+])c1 ZINC000037910102 177108661 /nfs/dbraw/zinc/10/86/61/177108661.db2.gz OXERMBLINZYUPH-ZDUSSCGKSA-N 2 1 248.370 2.399 10 0 BEAEMP C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@@H]1CCC[C@@H]1[NH3+] ZINC000058058427 177117880 /nfs/dbraw/zinc/11/78/80/177117880.db2.gz IUZAKXVLAMMAOF-RNJOBUHISA-N 2 1 210.365 2.377 10 0 BEAEMP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1CCc1ccccc1 ZINC000042427371 177189947 /nfs/dbraw/zinc/18/99/47/177189947.db2.gz SHIOOIDCYVGEGV-ZFWWWQNUSA-N 2 1 232.371 2.288 10 0 BEAEMP C[C@H]1C[C@@H]1C[N@@H+](C)Cc1ccc(F)cc1C[NH3+] ZINC000104417752 177342092 /nfs/dbraw/zinc/34/20/92/177342092.db2.gz QZRGMMZHJWNMSG-GXFFZTMASA-N 2 1 236.334 2.372 10 0 BEAEMP C[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C[C@@H]1[NH3+] ZINC000068593019 177359706 /nfs/dbraw/zinc/35/97/06/177359706.db2.gz JZDOXTQRTHHGOG-OBJOEFQTSA-N 2 1 218.344 2.244 10 0 BEAEMP C[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1[NH3+] ZINC000068593019 177359707 /nfs/dbraw/zinc/35/97/07/177359707.db2.gz JZDOXTQRTHHGOG-OBJOEFQTSA-N 2 1 218.344 2.244 10 0 BEAEMP CC(C)[C@H](C1CC1)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000570199091 323052727 /nfs/dbraw/zinc/05/27/27/323052727.db2.gz MGNMVPZTYUIIMD-MRVWCRGKSA-N 2 1 224.392 2.338 10 0 BEAEMP COC[C@H](C)C[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000131682658 325177392 /nfs/dbraw/zinc/17/73/92/325177392.db2.gz NGGHXHZUPPIFAV-KGLIPLIRSA-N 2 1 242.407 2.123 10 0 BEAEMP C[C@H]([NH3+])CCNc1[nH+]ccc2ccccc21 ZINC000123790866 488010530 /nfs/dbraw/zinc/01/05/30/488010530.db2.gz HOVYLEYYGQTQOD-JTQLQIEISA-N 2 1 215.300 2.384 10 0 BEAEMP CC(C)[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000389587341 488102069 /nfs/dbraw/zinc/10/20/69/488102069.db2.gz KCFPGWHMQIQGGU-AVGNSLFASA-N 2 1 210.365 2.092 10 0 BEAEMP CC(C)[C@H](C)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000252417609 487824188 /nfs/dbraw/zinc/82/41/88/487824188.db2.gz RVKBRXDCICPMFX-MELADBBJSA-N 2 1 224.392 2.495 10 0 BEAEMP CC(C)CC[N@H+]1CCC[C@]12C[NH2+]C[C@H](C)C2 ZINC000757127976 582503419 /nfs/dbraw/zinc/50/34/19/582503419.db2.gz IKGITYXQIRLARY-KGLIPLIRSA-N 2 1 224.392 2.497 10 0 BEAEMP CC[C@H](C)[N@H+]1CCC[C@]12CCC[NH2+][C@H]2C ZINC000757133855 582510720 /nfs/dbraw/zinc/51/07/20/582510720.db2.gz VJGNNYWCYIUNKB-AVGNSLFASA-N 2 1 210.365 2.391 10 0 BEAEMP C[N@H+]1CCC[C@@]2(CC1)[NH2+]C[C@@H](C(C)(C)C)CO2 ZINC000757150056 582533877 /nfs/dbraw/zinc/53/38/77/582533877.db2.gz OYMQAAJBQSKGCZ-TZMCWYRMSA-N 2 1 240.391 2.081 10 0 BEAEMP CC(C)C[N@H+]1CC[C@@H]([NH2+]C2CC2)[C@H](C)C1 ZINC000242592202 519731060 /nfs/dbraw/zinc/73/10/60/519731060.db2.gz OMERQUVAOCXVFM-DGCLKSJQSA-N 2 1 210.365 2.105 10 0 BEAEMP CCC[N@H+]1CC[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000252474521 519862404 /nfs/dbraw/zinc/86/24/04/519862404.db2.gz GZNAUWNOUKBLSM-CHWSQXEVSA-N 2 1 210.365 2.345 10 0 BEAEMP CCC[NH2+][C@H]1CC[N@@H+](CC(C)C)C[C@H]1C ZINC000242539020 520093757 /nfs/dbraw/zinc/09/37/57/520093757.db2.gz JLZDNMLZVHZDLZ-OLZOCXBDSA-N 2 1 212.381 2.352 10 0 BEAEMP C[C@@H]1C[N@H+]([C@@H]2CCC2(C)C)C[C@@]1(C)C[NH3+] ZINC000309052180 534477815 /nfs/dbraw/zinc/47/78/15/534477815.db2.gz QJKXAUYGRPZINF-NQBHXWOUSA-N 2 1 210.365 2.092 10 0 BEAEMP C[NH2+][C@H](C)[C@H]1CCCCN1c1cc(C)[nH+]c(C)n1 ZINC000104413362 536406546 /nfs/dbraw/zinc/40/65/46/536406546.db2.gz LTYMLEXSAHPKGF-DGCLKSJQSA-N 2 1 248.374 2.060 10 0 BEAEMP C[C@@H]1C[C@@H]1[N@H+]1CCC[C@]12CCC[NH2+][C@@H]2C ZINC000757126508 582500915 /nfs/dbraw/zinc/50/09/15/582500915.db2.gz FYQUXPWBMFWGDT-NDBYEHHHSA-N 2 1 208.349 2.001 10 0 BEAEMP C[C@@H]1C[C@@H]1[N@H+]1CCC[C@]12CCC[NH2+][C@H]2C ZINC000757126509 582501378 /nfs/dbraw/zinc/50/13/78/582501378.db2.gz FYQUXPWBMFWGDT-VOAKCMCISA-N 2 1 208.349 2.001 10 0 BEAEMP CC[C@H](C)[N@H+]1CCC[C@]12CC[C@@H](C)[NH2+]C2 ZINC000757130786 582505001 /nfs/dbraw/zinc/50/50/01/582505001.db2.gz NYYNHKFEJDZOOO-FRRDWIJNSA-N 2 1 210.365 2.391 10 0 BEAEMP C[C@H](C1CC1)[N@H+]1CCCC12CC[NH2+]CC2 ZINC000757134203 582510451 /nfs/dbraw/zinc/51/04/51/582510451.db2.gz WSKFFWZUIJQNCR-LLVKDONJSA-N 2 1 208.349 2.003 10 0 BEAEMP CC[C@H](C)[N@H+]1CCC[C@@]12CCC[NH2+][C@H]2C ZINC000757133858 582510489 /nfs/dbraw/zinc/51/04/89/582510489.db2.gz VJGNNYWCYIUNKB-RWMBFGLXSA-N 2 1 210.365 2.391 10 0 BEAEMP CC1(C)CC2(CC(C)(C)[NH2+]1)[NH2+]CC1(CC1)CO2 ZINC000757140895 582521294 /nfs/dbraw/zinc/52/12/94/582521294.db2.gz JTZAQIANXDDTRB-UHFFFAOYSA-N 2 1 238.375 2.023 10 0 BEAEMP CC1(C)C[NH2+]C2(CC(C)(C)[NH2+]C(C)(C)C2)OC1 ZINC000757141625 582522566 /nfs/dbraw/zinc/52/25/66/582522566.db2.gz POELXXBQWVQTQA-UHFFFAOYSA-N 2 1 240.391 2.269 10 0 BEAEMP C[N@H+]1CCC[C@@]2(CC1)[NH2+][C@H](C(C)(C)C)CCO2 ZINC000757141650 582522649 /nfs/dbraw/zinc/52/26/49/582522649.db2.gz PQRGPTKUGIKWPX-GXTWGEPZSA-N 2 1 240.391 2.223 10 0 BEAEMP C[C@@H]1CC[C@]2(CCC[N@H+]2CC2CC2)C[NH2+]1 ZINC000757129711 586426359 /nfs/dbraw/zinc/42/63/59/586426359.db2.gz MUVWJIRIDRPGMR-DGCLKSJQSA-N 2 1 208.349 2.003 10 0 BEAEMP CC1(c2ccc([C@H]3CC[NH2+]C[C@@H]3[NH3+])cc2)CC1 ZINC000757213014 586439510 /nfs/dbraw/zinc/43/95/10/586439510.db2.gz KRUKZVWMEUXDGR-KGLIPLIRSA-N 2 1 230.355 2.142 10 0 BEAEMP C[C@@H]1[NH2+][C@H](c2cccc3cc[nH]c32)CC[C@@H]1[NH3+] ZINC000757218275 586441592 /nfs/dbraw/zinc/44/15/92/586441592.db2.gz UUIAZCQENYZUNX-XDTLVQLUSA-N 2 1 229.327 2.308 10 0 BEAEMP CC1(c2ccc([C@H]3CC[C@H]([NH3+])C[NH2+]3)cc2)CC1 ZINC000757219278 586442310 /nfs/dbraw/zinc/44/23/10/586442310.db2.gz WKFQANWOPLQQNT-UONOGXRCSA-N 2 1 230.355 2.490 10 0 BEAEMP [NH3+][C@H]1C[NH2+]C[C@H](c2cscc2C(F)F)C1 ZINC000757239522 586444117 /nfs/dbraw/zinc/44/41/17/586444117.db2.gz ULMKVEIBJRNGKV-RNFRBKRXSA-N 2 1 232.299 2.090 10 0 BEAEMP [NH3+][C@@H]1C[NH2+]C[C@H](c2cscc2C(F)F)C1 ZINC000757239525 586444447 /nfs/dbraw/zinc/44/44/47/586444447.db2.gz ULMKVEIBJRNGKV-RQJHMYQMSA-N 2 1 232.299 2.090 10 0 BEAEMP CC[N@H+]1CCC[C@@H](c2cccc(C[NH3+])c2)C1 ZINC000757572465 586463051 /nfs/dbraw/zinc/46/30/51/586463051.db2.gz RGARGUJFBULSRY-CQSZACIVSA-N 2 1 218.344 2.345 10 0 BEAEMP c1ccc(CC[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000217651056 592148640 /nfs/dbraw/zinc/14/86/40/592148640.db2.gz QBSGTAUPVKFANE-CVEARBPZSA-N 2 1 244.382 2.446 10 0 BEAEMP CC(C)CC[N@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000336575598 635180871 /nfs/dbraw/zinc/18/08/71/635180871.db2.gz IPWHGOOOEUACDE-STQMWFEESA-N 2 1 210.365 2.059 10 0 BEAEMP CC(C)CC[NH+]1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000336575598 635180873 /nfs/dbraw/zinc/18/08/73/635180873.db2.gz IPWHGOOOEUACDE-STQMWFEESA-N 2 1 210.365 2.059 10 0 BEAEMP CC(C)CC[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000336575598 635180876 /nfs/dbraw/zinc/18/08/76/635180876.db2.gz IPWHGOOOEUACDE-STQMWFEESA-N 2 1 210.365 2.059 10 0 BEAEMP C[C@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)c1cccs1 ZINC000328417120 633764234 /nfs/dbraw/zinc/76/42/34/633764234.db2.gz IPZSRTOWWMBTJY-XGEMBROFSA-N 2 1 248.395 2.395 10 0 BEAEMP CC[NH+](CC)[C@@H](C)C[NH2+]C1CC(C(F)F)C1 ZINC000309923853 633945280 /nfs/dbraw/zinc/94/52/80/633945280.db2.gz UIWBFUCCTGGETR-WHXUTIOJSA-N 2 1 234.334 2.350 10 0 BEAEMP CC(C)CC[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000336575598 635180867 /nfs/dbraw/zinc/18/08/67/635180867.db2.gz IPWHGOOOEUACDE-STQMWFEESA-N 2 1 210.365 2.059 10 0 BEAEMP CCc1cccc([C@@H]2C[C@H]([NH3+])CC[N@H+]2C)c1 ZINC000675055010 636575983 /nfs/dbraw/zinc/57/59/83/636575983.db2.gz PMLRJMBOBFNYEG-KGLIPLIRSA-N 2 1 218.344 2.343 10 0 BEAEMP C[C@H]([N@@H+](C)CCC[NH2+]C1CC1)C(C)(C)C ZINC000042779641 641557577 /nfs/dbraw/zinc/55/75/77/641557577.db2.gz YOKPAOGCVGDGKK-NSHDSACASA-N 2 1 212.381 2.495 10 0 BEAEMP C[C@@H]([N@@H+](C)CCC[NH2+]C1CC1)C(C)(C)C ZINC000042779643 641558438 /nfs/dbraw/zinc/55/84/38/641558438.db2.gz YOKPAOGCVGDGKK-LLVKDONJSA-N 2 1 212.381 2.495 10 0 BEAEMP CCCCOCC[N@H+](C)C1(C[NH3+])CCCCC1 ZINC000050088067 643591105 /nfs/dbraw/zinc/59/11/05/643591105.db2.gz AGYWUBNYCQOGEX-UHFFFAOYSA-N 2 1 242.407 2.397 10 0 BEAEMP CCCCOCC[N@@H+](C)C1(C[NH3+])CCCCC1 ZINC000050088067 643591111 /nfs/dbraw/zinc/59/11/11/643591111.db2.gz AGYWUBNYCQOGEX-UHFFFAOYSA-N 2 1 242.407 2.397 10 0 BEAEMP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@H]1COc2ccccc21 ZINC000251244521 644799359 /nfs/dbraw/zinc/79/93/59/644799359.db2.gz SURSCSRVBNRQJR-DYEKYZERSA-N 2 1 246.354 2.240 10 0 BEAEMP C[C@@H]1C[N@H+]([C@@H]2C[C@@H]2c2ccccc2)CC[C@H]1[NH3+] ZINC000251925996 644830016 /nfs/dbraw/zinc/83/00/16/644830016.db2.gz YIRKCKKSGODIAD-NMFUWQPSSA-N 2 1 230.355 2.212 10 0 BEAEMP CC[C@H]1CC[C@@H](C)[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000136231832 711691638 /nfs/dbraw/zinc/69/16/38/711691638.db2.gz BKOKHDKCWOHQRU-NDBYEHHHSA-N 2 1 210.365 2.377 10 0 BEAEMP CCCCCC[N@H+]1C[C@@H](OC)C[C@@]1(C)C[NH3+] ZINC000708942256 712203096 /nfs/dbraw/zinc/20/30/96/712203096.db2.gz BMLCGBXDVQGCGU-STQMWFEESA-N 2 1 228.380 2.005 10 0 BEAEMP C(C[N@H+]1CC[C@@H]2CCC[C@@H]21)C1CC[NH2+]CC1 ZINC000378814572 712362688 /nfs/dbraw/zinc/36/26/88/712362688.db2.gz BBFFJZAZHUBWBK-KBPBESRZSA-N 2 1 222.376 2.251 10 0 BEAEMP C[C@H](C[N@H+]1CCC[C@H]2[NH2+]CC[C@H]21)C(C)(C)C ZINC000720932637 712880187 /nfs/dbraw/zinc/88/01/87/712880187.db2.gz WPTAARIXFWXDNM-JHJVBQTASA-N 2 1 224.392 2.495 10 0 BEAEMP C[C@H]1C[N@@H+](CC2CCCCC2)CC[C@@H]1C[NH3+] ZINC000133092907 710968483 /nfs/dbraw/zinc/96/84/83/710968483.db2.gz FCPMWKGCNOGEJL-GXTWGEPZSA-N 2 1 224.392 2.483 10 0 BEAEMP Cc1cnc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(C)c1 ZINC000724056996 711558408 /nfs/dbraw/zinc/55/84/08/711558408.db2.gz OHTQFDAZGYFUCE-PBWFPOADSA-N 2 1 245.370 2.071 10 0 BEAEMP CC(F)(F)CCC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000718574244 711661278 /nfs/dbraw/zinc/66/12/78/711661278.db2.gz YYWKZCDTFGPJFE-GARJFASQSA-N 2 1 232.318 2.091 10 0 BEAEMP CO[C@@H]1C[N@@H+](C[C@H](C)C(C)(C)C)[C@](C)(C[NH3+])C1 ZINC000710765680 712256111 /nfs/dbraw/zinc/25/61/11/712256111.db2.gz SCUGPKOVDFPJBL-OBJOEFQTSA-N 2 1 242.407 2.107 10 0 BEAEMP CCC(CC)(C[NH3+])C[N@H+]1CCC[C@@H](C)C1 ZINC000051210126 168323278 /nfs/dbraw/zinc/32/32/78/168323278.db2.gz VJZSRFRWQDFTEC-GFCCVEGCSA-N 2 1 212.381 2.483 10 0 BEAEMP CCC(CC)(C[NH2+]C(C)(C)C)C[N@@H+](C)CCO ZINC000051249650 168326149 /nfs/dbraw/zinc/32/61/49/168326149.db2.gz MLNJSKKMZXBOET-UHFFFAOYSA-N 2 1 244.423 2.105 10 0 BEAEMP CC(C)(CC[NH3+])[NH2+]Cc1ccc(F)cc1F ZINC000258878693 349519091 /nfs/dbraw/zinc/51/90/91/349519091.db2.gz PXVFUPBZHDHNNU-UHFFFAOYSA-N 2 1 228.286 2.182 10 0 BEAEMP Cc1cn2c([nH+]1)CC[C@H](Nc1cc[nH+]c(C)c1)C2 ZINC000302772401 178190037 /nfs/dbraw/zinc/19/00/37/178190037.db2.gz NLGGAXFHOHTQQM-ZDUSSCGKSA-N 2 1 242.326 2.322 10 0 BEAEMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1C[C@@H]1CCCCC1(F)F ZINC000381590225 398265087 /nfs/dbraw/zinc/26/50/87/398265087.db2.gz DIRSECRDHRRGFI-WOPDTQHZSA-N 2 1 246.345 2.481 10 0 BEAEMP [NH3+]C[C@@H]1CC[N@@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000381700612 398270102 /nfs/dbraw/zinc/27/01/02/398270102.db2.gz OSIAREHDRLOPEC-QWRGUYRKSA-N 2 1 232.318 2.093 10 0 BEAEMP CCC[C@@H]1C[C@H]1[NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000090175169 398270507 /nfs/dbraw/zinc/27/05/07/398270507.db2.gz VDUPWUSEVQNAQH-REWJHTLYSA-N 2 1 224.392 2.495 10 0 BEAEMP CC[N@H+]1CCC[C@H]([C@H]2CCCCC[NH2+]2)C1 ZINC000003735132 342737479 /nfs/dbraw/zinc/73/74/79/342737479.db2.gz SJSOQIPWFQABOH-QWHCGFSZSA-N 2 1 210.365 2.251 10 0 BEAEMP CCC(CC)[NH2+]C[C@@H](C)[N@H+](C)C1CCOCC1 ZINC000053492099 168388293 /nfs/dbraw/zinc/38/82/93/168388293.db2.gz XTEBQXSEZKATFK-GFCCVEGCSA-N 2 1 242.407 2.264 10 0 BEAEMP CCC(CC)[NH2+]C[C@@H](C)[N@@H+](C)C1CCOCC1 ZINC000053492099 168388296 /nfs/dbraw/zinc/38/82/96/168388296.db2.gz XTEBQXSEZKATFK-GFCCVEGCSA-N 2 1 242.407 2.264 10 0 BEAEMP CCC(CC)[NH2+]C[C@@H]1CCn2cc[nH+]c2C1 ZINC000364606895 168388599 /nfs/dbraw/zinc/38/85/99/168388599.db2.gz OYGUOGQOWNQFKI-LLVKDONJSA-N 2 1 221.348 2.224 10 0 BEAEMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1C[NH3+] ZINC000210460326 539016695 /nfs/dbraw/zinc/01/66/95/539016695.db2.gz WMERLLDQCPOUQM-GXTWGEPZSA-N 2 1 218.344 2.103 10 0 BEAEMP CCCC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037916081 398335184 /nfs/dbraw/zinc/33/51/84/398335184.db2.gz YXOKMQJJFIBUQN-OLZOCXBDSA-N 2 1 210.365 2.251 10 0 BEAEMP COc1cccc(C[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000258727451 136373831 /nfs/dbraw/zinc/37/38/31/136373831.db2.gz ISIDZKAVJZXIRQ-CQSZACIVSA-N 2 1 248.370 2.254 10 0 BEAEMP COc1cccc(C[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000258727451 136373832 /nfs/dbraw/zinc/37/38/32/136373832.db2.gz ISIDZKAVJZXIRQ-CQSZACIVSA-N 2 1 248.370 2.254 10 0 BEAEMP FC1(F)CCC[C@@H]2C[N@H+](C3CC[NH2+]CC3)C[C@H]21 ZINC000409431492 343823740 /nfs/dbraw/zinc/82/37/40/343823740.db2.gz SMLZHNROBGCDGV-ZYHUDNBSSA-N 2 1 244.329 2.106 10 0 BEAEMP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1C[C@@H]1CCCCC1(F)F ZINC000385264053 344384843 /nfs/dbraw/zinc/38/48/43/344384843.db2.gz QWCWPILJAMKASF-OUAUKWLOSA-N 2 1 232.318 2.233 10 0 BEAEMP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1C[C@@H]1CCCCC1(F)F ZINC000385264053 344384845 /nfs/dbraw/zinc/38/48/45/344384845.db2.gz QWCWPILJAMKASF-OUAUKWLOSA-N 2 1 232.318 2.233 10 0 BEAEMP C[NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](OC)C2)cc1 ZINC000117575469 344747587 /nfs/dbraw/zinc/74/75/87/344747587.db2.gz JNAGYJJPVVQTEO-OAHLLOKOSA-N 2 1 248.370 2.017 10 0 BEAEMP C/C=C\C[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000390147642 345257012 /nfs/dbraw/zinc/25/70/12/345257012.db2.gz IMOHZXLWSBQEII-IHWYPQMZSA-N 2 1 218.344 2.414 10 0 BEAEMP Cc1ccsc1C[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000634999742 345200237 /nfs/dbraw/zinc/20/02/37/345200237.db2.gz YNWZGCQEXRIFHS-MNOVXSKESA-N 2 1 224.373 2.083 10 0 BEAEMP CC(C)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH3+] ZINC000251374062 345493977 /nfs/dbraw/zinc/49/39/77/345493977.db2.gz GMILKAIXHXFOEF-UONOGXRCSA-N 2 1 218.344 2.102 10 0 BEAEMP CC(C)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH3+] ZINC000251374062 345493978 /nfs/dbraw/zinc/49/39/78/345493978.db2.gz GMILKAIXHXFOEF-UONOGXRCSA-N 2 1 218.344 2.102 10 0 BEAEMP [NH3+]C[C@H]([NH3+])CC1=Cc2c(Cl)cccc2CC1 ZINC000141263291 345860176 /nfs/dbraw/zinc/86/01/76/345860176.db2.gz FVZGZMMVAJIXCC-LLVKDONJSA-N 2 1 236.746 2.346 10 0 BEAEMP FCC[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000034191896 346222010 /nfs/dbraw/zinc/22/20/10/346222010.db2.gz RGCIBHZTGYXCKV-AWEZNQCLSA-N 2 1 236.334 2.068 10 0 BEAEMP FCC[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000034191896 346222011 /nfs/dbraw/zinc/22/20/11/346222011.db2.gz RGCIBHZTGYXCKV-AWEZNQCLSA-N 2 1 236.334 2.068 10 0 BEAEMP CC[N@H+](Cc1cncc(C[NH3+])c1)CC(C)C ZINC000669378410 537966596 /nfs/dbraw/zinc/96/65/96/537966596.db2.gz DKRJNJPFTXPSLJ-UHFFFAOYSA-N 2 1 221.348 2.018 10 0 BEAEMP Cc1cccc(C[N@@H+](C)[C@H](C)[C@@H](C)[NH3+])c1 ZINC000042435798 179070332 /nfs/dbraw/zinc/07/03/32/179070332.db2.gz WLGSAKAVVYKTJK-VXGBXAGGSA-N 2 1 206.333 2.163 10 0 BEAEMP Cc1cccc(C[N@H+](C)[C@H](C)[C@@H](C)[NH3+])c1 ZINC000042435798 179070334 /nfs/dbraw/zinc/07/03/34/179070334.db2.gz WLGSAKAVVYKTJK-VXGBXAGGSA-N 2 1 206.333 2.163 10 0 BEAEMP CC[N@H+]1CCC[C@@H](Nc2cc[nH+]c(C)c2)C1 ZINC000229564191 346437705 /nfs/dbraw/zinc/43/77/05/346437705.db2.gz KCZZSXHKDKNWQC-CYBMUJFWSA-N 2 1 219.332 2.286 10 0 BEAEMP CC[NH+](CC)[C@H](C)C[NH2+][C@H](C)C(C)C ZINC000127523243 133644240 /nfs/dbraw/zinc/64/42/40/133644240.db2.gz ZSNXBKBUDMUAAQ-VXGBXAGGSA-N 2 1 200.370 2.351 10 0 BEAEMP Cc1[nH+]cn([C@@H](C[NH3+])c2cccc(C)c2)c1C ZINC000051925748 179201305 /nfs/dbraw/zinc/20/13/05/179201305.db2.gz KIHCGVINBJQGRN-AWEZNQCLSA-N 2 1 229.327 2.356 10 0 BEAEMP C[N@H+]1CC[C@H]([NH3+])[C@@H](Cc2ccc(Cl)cc2)C1 ZINC000250614108 362812506 /nfs/dbraw/zinc/81/25/06/362812506.db2.gz NMVIYJIRSMGZDN-AAEUAGOBSA-N 2 1 238.762 2.162 10 0 BEAEMP Cc1ccccc1C[N@@H+](CC[NH3+])CC(C)C ZINC000032013794 179272020 /nfs/dbraw/zinc/27/20/20/179272020.db2.gz LTBHVJCPLBODEP-UHFFFAOYSA-N 2 1 220.360 2.412 10 0 BEAEMP Cc1ccccc1C[N@H+](CC[NH3+])CC(C)C ZINC000032013794 179272022 /nfs/dbraw/zinc/27/20/22/179272022.db2.gz LTBHVJCPLBODEP-UHFFFAOYSA-N 2 1 220.360 2.412 10 0 BEAEMP Cc1ccccc1C[N@@H+]1CC[NH2+]C[C@H](C)C1 ZINC000049662202 179274073 /nfs/dbraw/zinc/27/40/73/179274073.db2.gz MMEMAFLJDQGNDA-LBPRGKRZSA-N 2 1 218.344 2.036 10 0 BEAEMP C[C@@H]1C[C@@H](C)[NH2+][C@@H](C[NH+]2CCCCC2)C1 ZINC000669381790 537994791 /nfs/dbraw/zinc/99/47/91/537994791.db2.gz VLCSIZYULOYTOY-JHJVBQTASA-N 2 1 210.365 2.249 10 0 BEAEMP Cc1ccc[nH+]c1N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000051041253 179395225 /nfs/dbraw/zinc/39/52/25/179395225.db2.gz YJRZSPRQPIJJMF-GFCCVEGCSA-N 2 1 231.343 2.477 10 0 BEAEMP Cc1ccc(C)c([C@H]2C[C@@H]([NH3+])CC[N@@H+]2C)c1 ZINC000211432274 538024575 /nfs/dbraw/zinc/02/45/75/538024575.db2.gz ITKFKCMRZDXVOC-GXTWGEPZSA-N 2 1 218.344 2.397 10 0 BEAEMP CC(C)(C)[N@H+]1CCc2ccccc2[C@H]1CN ZINC000616584165 349328762 /nfs/dbraw/zinc/32/87/62/349328762.db2.gz HZTWEYWLELOQRL-CYBMUJFWSA-N 2 1 218.344 2.343 10 0 BEAEMP Cc1[nH+]ccn1-c1nc(C[NH3+])cc2ccccc21 ZINC000051490884 180231254 /nfs/dbraw/zinc/23/12/54/180231254.db2.gz BUXBPCVMDALVIK-UHFFFAOYSA-N 2 1 238.294 2.188 10 0 BEAEMP Cc1[nH+]ccn1[C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000042902728 180272382 /nfs/dbraw/zinc/27/23/82/180272382.db2.gz CSWBAQOTXUKFIB-MFKMUULPSA-N 2 1 215.300 2.128 10 0 BEAEMP Cc1[nH+]ccn1[C@@H](C)[C@H]([NH3+])c1ccccc1 ZINC000023067761 180272468 /nfs/dbraw/zinc/27/24/68/180272468.db2.gz JKRGFVMYJNGOCQ-GWCFXTLKSA-N 2 1 215.300 2.453 10 0 BEAEMP C[C@@H]1CCC[N@H+]([C@@H]2CCC[C@@H](C[NH3+])C2)C1 ZINC000252208594 538085071 /nfs/dbraw/zinc/08/50/71/538085071.db2.gz VRAPUDSSFCIUIU-JHJVBQTASA-N 2 1 210.365 2.236 10 0 BEAEMP C[C@@H]1CCC[N@H+]([C@H]2CCC[C@@H](C[NH3+])C2)C1 ZINC000252208595 538085562 /nfs/dbraw/zinc/08/55/62/538085562.db2.gz VRAPUDSSFCIUIU-UPJWGTAASA-N 2 1 210.365 2.236 10 0 BEAEMP Cc1[nH+]ccn1[C@@H](C[NH3+])c1ccc(Cl)s1 ZINC000043254338 180271646 /nfs/dbraw/zinc/27/16/46/180271646.db2.gz NRPSDAJYHFQQMQ-QMMMGPOBSA-N 2 1 241.747 2.455 10 0 BEAEMP Cc1[nH+]cn([C@@H](c2cccs2)[C@@H](C)[NH3+])c1C ZINC000051925919 180288966 /nfs/dbraw/zinc/28/89/66/180288966.db2.gz UZJNSJRPPWVIRK-PRHODGIISA-N 2 1 235.356 2.498 10 0 BEAEMP Cc1[nH+]cn([C@H](C[NH3+])c2cccs2)c1C ZINC000051925854 180289952 /nfs/dbraw/zinc/28/99/52/180289952.db2.gz INAGVPMQIPVPGW-SNVBAGLBSA-N 2 1 221.329 2.110 10 0 BEAEMP Cc1[nH+]cn(C[C@@H]([NH3+])c2ccccc2)c1C ZINC000051926528 180287126 /nfs/dbraw/zinc/28/71/26/180287126.db2.gz ZDZUQKVFUIKVQT-CYBMUJFWSA-N 2 1 215.300 2.200 10 0 BEAEMP CC(C)C[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H]1C[C@@H]1C ZINC000336650156 350575612 /nfs/dbraw/zinc/57/56/12/350575612.db2.gz DPEWTJHYRJYMND-BFHYXJOUSA-N 2 1 224.392 2.352 10 0 BEAEMP CC(C)C[N@H+]1CCC[C@@H]1C[NH2+]C[C@H]1C[C@@H]1C ZINC000336650156 350575616 /nfs/dbraw/zinc/57/56/16/350575616.db2.gz DPEWTJHYRJYMND-BFHYXJOUSA-N 2 1 224.392 2.352 10 0 BEAEMP CC(C)[N@H+]1CCC[C@@H](c2ccnc(N)c2)C1 ZINC000616616952 350858350 /nfs/dbraw/zinc/85/83/50/350858350.db2.gz AYAMAFQCWCEHQO-GFCCVEGCSA-N 2 1 219.332 2.082 10 0 BEAEMP C[C@H](CCC[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000052417487 350991944 /nfs/dbraw/zinc/99/19/44/350991944.db2.gz KUZISSLMWFPTFW-GFCCVEGCSA-N 2 1 206.333 2.246 10 0 BEAEMP CC(C)Cc1ccc([C@H]2C[NH2+]C[C@@]2(C)[NH3+])cc1 ZINC000725268175 538100054 /nfs/dbraw/zinc/10/00/54/538100054.db2.gz ILNIERQBQMZVQH-HUUCEWRRSA-N 2 1 232.371 2.289 10 0 BEAEMP Nc1ccccc1[C@@H]1CCCCC[N@@H+]1CC[NH3+] ZINC000616624593 351091988 /nfs/dbraw/zinc/09/19/88/351091988.db2.gz CAMAZQLUUNDJBE-AWEZNQCLSA-N 2 1 233.359 2.145 10 0 BEAEMP Nc1ccccc1[C@@H]1CCCCC[N@H+]1CC[NH3+] ZINC000616624593 351091993 /nfs/dbraw/zinc/09/19/93/351091993.db2.gz CAMAZQLUUNDJBE-AWEZNQCLSA-N 2 1 233.359 2.145 10 0 BEAEMP CCCc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH3+])cc1 ZINC000725272759 538104151 /nfs/dbraw/zinc/10/41/51/538104151.db2.gz UXVXUJLMGUSDCS-UONOGXRCSA-N 2 1 218.344 2.043 10 0 BEAEMP COc1ccc([C@H]([C@H](C)[NH3+])n2cc[nH+]c2C)cc1 ZINC000042962256 188121462 /nfs/dbraw/zinc/12/14/62/188121462.db2.gz WFAXUOJDAOAUIG-HZMBPMFUSA-N 2 1 245.326 2.137 10 0 BEAEMP CC(C)C[C@H](C)[N@@H+](C)[C@@H](CN)c1ccccn1 ZINC000088324920 188144285 /nfs/dbraw/zinc/14/42/85/188144285.db2.gz DRLNGEHRTXRBAF-JSGCOSHPSA-N 2 1 235.375 2.448 10 0 BEAEMP C[NH2+][C@@H]1CC[N@H+](CCc2ccsc2)[C@H](C)C1 ZINC000049713601 188125706 /nfs/dbraw/zinc/12/57/06/188125706.db2.gz PTIDRIHEKABQRC-DGCLKSJQSA-N 2 1 238.400 2.363 10 0 BEAEMP C[NH2+][C@@H]1CC[N@@H+](CCc2ccsc2)[C@H](C)C1 ZINC000049713601 188125707 /nfs/dbraw/zinc/12/57/07/188125707.db2.gz PTIDRIHEKABQRC-DGCLKSJQSA-N 2 1 238.400 2.363 10 0 BEAEMP C[NH2+][C@@H]1CC[N@H+](C2CCC(C)CC2)C[C@H]1C ZINC000049709736 188125710 /nfs/dbraw/zinc/12/57/10/188125710.db2.gz QAPRNYNNUXPARC-FKZOYECMSA-N 2 1 224.392 2.495 10 0 BEAEMP CC[C@@H]1C[N@H+](Cc2ccccc2)CCC[NH2+]1 ZINC000082367950 188138637 /nfs/dbraw/zinc/13/86/37/188138637.db2.gz CVMQAWVOJPHXOU-CQSZACIVSA-N 2 1 218.344 2.261 10 0 BEAEMP CC[C@@H]1C[N@@H+](Cc2ccccc2)CCC[NH2+]1 ZINC000082367950 188138639 /nfs/dbraw/zinc/13/86/39/188138639.db2.gz CVMQAWVOJPHXOU-CQSZACIVSA-N 2 1 218.344 2.261 10 0 BEAEMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCCSC1 ZINC000128242150 188143366 /nfs/dbraw/zinc/14/33/66/188143366.db2.gz IUENKTVUGKKMIU-GFCCVEGCSA-N 2 1 230.421 2.202 10 0 BEAEMP CC(C)C[C@H](C)[N@H+]1CCC[NH2+][C@@H](C)CC1 ZINC000049666034 188153489 /nfs/dbraw/zinc/15/34/89/188153489.db2.gz SFZHRSBDFNPJTJ-STQMWFEESA-N 2 1 212.381 2.495 10 0 BEAEMP CC(C)[C@H](C)[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000309670071 188169634 /nfs/dbraw/zinc/16/96/34/188169634.db2.gz JMFBCUIFHDIUMO-RYUDHWBXSA-N 2 1 221.348 2.080 10 0 BEAEMP C[NH2+]Cc1cccc(C[N@@H+](C)C2CCOCC2)c1 ZINC000052481139 188482000 /nfs/dbraw/zinc/48/20/00/188482000.db2.gz ARUCRHWQZAAGQS-UHFFFAOYSA-N 2 1 248.370 2.017 10 0 BEAEMP C1C[N@@H+]2CCCC[C@@H]2[C@@H]1[NH2+][C@@H]1CCCSC1 ZINC000216483605 355995350 /nfs/dbraw/zinc/99/53/50/355995350.db2.gz KANUHZYSSMSOHQ-JHJVBQTASA-N 2 1 240.416 2.098 10 0 BEAEMP C1C[N@H+]2CCCC[C@@H]2[C@@H]1[NH2+][C@@H]1CCCSC1 ZINC000216483605 355995354 /nfs/dbraw/zinc/99/53/54/355995354.db2.gz KANUHZYSSMSOHQ-JHJVBQTASA-N 2 1 240.416 2.098 10 0 BEAEMP CC[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1c1ccc(F)cc1 ZINC000675055730 538476459 /nfs/dbraw/zinc/47/64/59/538476459.db2.gz XCRZSIVFQRADFW-CHWSQXEVSA-N 2 1 222.307 2.310 10 0 BEAEMP CC[N@H+]1CC[C@@H]([NH3+])C[C@@H]1c1ccc(F)cc1 ZINC000675055730 538476462 /nfs/dbraw/zinc/47/64/62/538476462.db2.gz XCRZSIVFQRADFW-CHWSQXEVSA-N 2 1 222.307 2.310 10 0 BEAEMP C[C@@H]1CCCC[N@H+]1C1CC2(C1)CC[NH2+]CC2 ZINC000675069636 538499171 /nfs/dbraw/zinc/49/91/71/538499171.db2.gz JPITUALBLXATKN-GFCCVEGCSA-N 2 1 222.376 2.393 10 0 BEAEMP C[C@@H]1C[C@H](C)C[N@@H+]([C@H]2[C@H](C)C[NH2+]C[C@@H]2C)C1 ZINC000685951090 538894240 /nfs/dbraw/zinc/89/42/40/538894240.db2.gz MSDXRQCKWQTYTQ-KCLGILNXSA-N 2 1 224.392 2.208 10 0 BEAEMP C[C@@H]1C[NH2+]C[C@H](C)[C@H]1[NH+]1CCC2(CC2)CC1 ZINC000685951135 538894792 /nfs/dbraw/zinc/89/47/92/538894792.db2.gz NZTURPUDUVBTBR-ITGUQSILSA-N 2 1 222.376 2.106 10 0 BEAEMP C[C@@H]1C[NH2+]C[C@@H](C)C1[N@H+]1CCC[C@@H](C)[C@H]1C ZINC000685951778 538895087 /nfs/dbraw/zinc/89/50/87/538895087.db2.gz YBEXMWBJOJKQSU-FDYHWXHSSA-N 2 1 224.392 2.351 10 0 BEAEMP [NH3+]C1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000039076657 358213852 /nfs/dbraw/zinc/21/38/52/358213852.db2.gz RVZAGXWSLSUHRT-UHFFFAOYSA-N 2 1 230.355 2.315 10 0 BEAEMP [NH2+]=C1CC[N@H+]2CCc3ccccc3[C@H]2C1 ZINC000584625997 358295270 /nfs/dbraw/zinc/29/52/70/358295270.db2.gz BQSWFMZMKVJPIH-CYBMUJFWSA-N 2 1 200.285 2.399 10 0 BEAEMP C[N@@H+]1CCC[C@@]12CCCC[C@@H]2[NH2+]CC1CC1 ZINC000584616581 358281407 /nfs/dbraw/zinc/28/14/07/358281407.db2.gz GVYFMQBCJLGWTP-UONOGXRCSA-N 2 1 222.376 2.393 10 0 BEAEMP C[N@H+]1CCC[C@@]12CCCC[C@@H]2[NH2+]CC1CC1 ZINC000584616581 358281409 /nfs/dbraw/zinc/28/14/09/358281409.db2.gz GVYFMQBCJLGWTP-UONOGXRCSA-N 2 1 222.376 2.393 10 0 BEAEMP CC[N@H+]1CCC[C@H](Nc2cc[nH+]cc2C)C1 ZINC000070047152 359040448 /nfs/dbraw/zinc/04/04/48/359040448.db2.gz WAZANJHJVJQXDB-LBPRGKRZSA-N 2 1 219.332 2.286 10 0 BEAEMP Cc1ccc([C@H]2C[C@@H]([NH3+])CC[N@@H+]2C)cc1C ZINC000074081391 541313202 /nfs/dbraw/zinc/31/32/02/541313202.db2.gz YYSUSENLHFYVJK-UONOGXRCSA-N 2 1 218.344 2.397 10 0 BEAEMP [NH3+]CCCCC[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000049580710 181374947 /nfs/dbraw/zinc/37/49/47/181374947.db2.gz YNOPQPSCQRDKJC-CQSZACIVSA-N 2 1 233.359 2.348 10 0 BEAEMP CC[N@@H+](CC(C)C)[C@@H]1CCC[C@@H](C[NH3+])C1 ZINC000675054238 541433634 /nfs/dbraw/zinc/43/36/34/541433634.db2.gz QSRQVWXHDYTODZ-CHWSQXEVSA-N 2 1 212.381 2.482 10 0 BEAEMP CC[C@H](CC(F)F)C[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631837123 372627800 /nfs/dbraw/zinc/62/78/00/372627800.db2.gz NBLOHWQOODGQFJ-MXWKQRLJSA-N 2 1 234.334 2.194 10 0 BEAEMP CC(C)C[C@@H]([NH3+])C[NH2+]Cc1cccs1 ZINC000040397568 373219910 /nfs/dbraw/zinc/21/99/10/373219910.db2.gz DXHKHZDEPZBIJT-SNVBAGLBSA-N 2 1 212.362 2.211 10 0 BEAEMP CCC[N@@H+](CC)[C@H](CN)c1ccc(OC)cc1 ZINC000037094706 169132338 /nfs/dbraw/zinc/13/23/38/169132338.db2.gz YKXGOJIXZBXEOI-CQSZACIVSA-N 2 1 236.359 2.427 10 0 BEAEMP c1cc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)co1 ZINC000063048065 183341734 /nfs/dbraw/zinc/34/17/34/183341734.db2.gz AIWAMXFOEQHRGX-KBPBESRZSA-N 2 1 234.343 2.244 10 0 BEAEMP c1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)co1 ZINC000063048065 183341736 /nfs/dbraw/zinc/34/17/36/183341736.db2.gz AIWAMXFOEQHRGX-KBPBESRZSA-N 2 1 234.343 2.244 10 0 BEAEMP c1cc(C[N@@H+]2CCC[C@]3(CCC[NH2+]C3)C2)ccn1 ZINC000031994648 183343546 /nfs/dbraw/zinc/34/35/46/183343546.db2.gz XUWBWOUKLOMAIP-HNNXBMFYSA-N 2 1 245.370 2.047 10 0 BEAEMP c1cc(C[N@H+]2CCC[C@]3(CCC[NH2+]C3)C2)ccn1 ZINC000031994648 183343549 /nfs/dbraw/zinc/34/35/49/183343549.db2.gz XUWBWOUKLOMAIP-HNNXBMFYSA-N 2 1 245.370 2.047 10 0 BEAEMP CCC[N@H+]1CC[C@@H]([NH2+]CC(C)C)[C@H](C)C1 ZINC000073654045 169206239 /nfs/dbraw/zinc/20/62/39/169206239.db2.gz RRNQJHWAOWCJDL-CHWSQXEVSA-N 2 1 212.381 2.352 10 0 BEAEMP c1cc2c(cc[nH+]c2[C@H]2CCC[NH2+]C2)[nH]1 ZINC000074211614 183363336 /nfs/dbraw/zinc/36/33/36/183363336.db2.gz MWCMLSIEMSZLRK-VIFPVBQESA-N 2 1 201.273 2.030 10 0 BEAEMP CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCOC ZINC000054601528 169255229 /nfs/dbraw/zinc/25/52/29/169255229.db2.gz XYGLFYLLQXMNNU-AGUYFDCRSA-N 2 1 240.391 2.018 10 0 BEAEMP CCC[NH2+]C1[C@@H]2CCC[C@H]1C[N@H+](C(C)C)C2 ZINC000040768930 169256061 /nfs/dbraw/zinc/25/60/61/169256061.db2.gz VZVZHURVOCWAIC-PBWFPOADSA-N 2 1 224.392 2.495 10 0 BEAEMP CCC[NH2+]C1[C@@H]2CCC[C@H]1C[N@@H+](C(C)C)C2 ZINC000040768930 169256063 /nfs/dbraw/zinc/25/60/63/169256063.db2.gz VZVZHURVOCWAIC-PBWFPOADSA-N 2 1 224.392 2.495 10 0 BEAEMP CCC[NH2+]CCCC[N@@H+](C)C[C@H]1CCCCO1 ZINC000052507120 169257104 /nfs/dbraw/zinc/25/71/04/169257104.db2.gz YAGDVQAYSRLYMM-CQSZACIVSA-N 2 1 242.407 2.267 10 0 BEAEMP CCC[NH2+]CCCCC[N@H+]1CCO[C@H](CC)C1 ZINC000052477294 169257364 /nfs/dbraw/zinc/25/73/64/169257364.db2.gz XCNAEOWFPHCINA-CQSZACIVSA-N 2 1 242.407 2.267 10 0 BEAEMP CCC[NH2+]CC[C@H](C)[N@@H+](C)CC1CCOCC1 ZINC000104195011 169261172 /nfs/dbraw/zinc/26/11/72/169261172.db2.gz CZTOXMKKGBONCT-ZDUSSCGKSA-N 2 1 242.407 2.123 10 0 BEAEMP CCC[NH2+]C[C@H](CC)[N@H+](C)C[C@@H]1CCCOC1 ZINC000104191493 169263257 /nfs/dbraw/zinc/26/32/57/169263257.db2.gz SWYWTVPZLGJSJB-KBPBESRZSA-N 2 1 242.407 2.123 10 0 BEAEMP CCC[NH2+]C[C@H](CC)[N@@H+](C)C[C@@H]1CCCOC1 ZINC000104191493 169263259 /nfs/dbraw/zinc/26/32/59/169263259.db2.gz SWYWTVPZLGJSJB-KBPBESRZSA-N 2 1 242.407 2.123 10 0 BEAEMP CCC[NH2+][C@@H]1CC[N@@H+](CC(C)C)C[C@@H]1C ZINC000049709012 169281990 /nfs/dbraw/zinc/28/19/90/169281990.db2.gz JLZDNMLZVHZDLZ-QWHCGFSZSA-N 2 1 212.381 2.352 10 0 BEAEMP CCCC[N@H+]1CC[C@H]([NH2+]C(C)C)[C@@H](C)C1 ZINC000226858543 134370447 /nfs/dbraw/zinc/37/04/47/134370447.db2.gz GZFFYQUFKQSBIG-STQMWFEESA-N 2 1 212.381 2.495 10 0 BEAEMP C[C@H]1[C@@H]([NH3+])CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000068592790 384002313 /nfs/dbraw/zinc/00/23/13/384002313.db2.gz NWKPWPVTPIKZQR-DYEKYZERSA-N 2 1 218.344 2.244 10 0 BEAEMP C[C@H](c1cncs1)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000309411854 383977404 /nfs/dbraw/zinc/97/74/04/383977404.db2.gz IYFINVRYTXFHCF-CKYFFXLPSA-N 2 1 239.388 2.121 10 0 BEAEMP C[C@H](c1cncs1)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000309411854 383977410 /nfs/dbraw/zinc/97/74/10/383977410.db2.gz IYFINVRYTXFHCF-CKYFFXLPSA-N 2 1 239.388 2.121 10 0 BEAEMP C[N@H+](Cc1ccccc1)[C@H]1CCCC[C@H]1[NH3+] ZINC000072233352 384086522 /nfs/dbraw/zinc/08/65/22/384086522.db2.gz FTAQCJUQTAEZTC-KGLIPLIRSA-N 2 1 218.344 2.388 10 0 BEAEMP C[N@@H+](Cc1ccccc1)[C@H]1CCCC[C@H]1[NH3+] ZINC000072233352 384086533 /nfs/dbraw/zinc/08/65/33/384086533.db2.gz FTAQCJUQTAEZTC-KGLIPLIRSA-N 2 1 218.344 2.388 10 0 BEAEMP [NH3+][C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000074077956 384274150 /nfs/dbraw/zinc/27/41/50/384274150.db2.gz NYAVATPUTHELAJ-JTQLQIEISA-N 2 1 219.332 2.273 10 0 BEAEMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCCSC1 ZINC000128242392 385015455 /nfs/dbraw/zinc/01/54/55/385015455.db2.gz IUENKTVUGKKMIU-LBPRGKRZSA-N 2 1 230.421 2.202 10 0 BEAEMP Fc1c(Cl)cccc1C[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000398343756 385198985 /nfs/dbraw/zinc/19/89/85/385198985.db2.gz HZPAEURVHXLYNX-SECBINFHSA-N 2 1 242.725 2.178 10 0 BEAEMP CSCC[N@H+]1CCC[C@H]1Cn1ccnc1C ZINC000178315689 385355107 /nfs/dbraw/zinc/35/51/07/385355107.db2.gz WGQJQCOFEHLEIV-LBPRGKRZSA-N 2 1 239.388 2.019 10 0 BEAEMP C[NH+](C)[C@@H](C[NH2+][C@@H]1CCC1(C)C)C1CC1 ZINC000309034182 385380515 /nfs/dbraw/zinc/38/05/15/385380515.db2.gz HBEKXRABYDSUKS-NWDGAFQWSA-N 2 1 210.365 2.105 10 0 BEAEMP CC(C)[C@H](C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000309325477 385530198 /nfs/dbraw/zinc/53/01/98/385530198.db2.gz GKFCWHAZKQYSQE-JTQLQIEISA-N 2 1 241.404 2.339 10 0 BEAEMP CC[C@@H](C)C[NH2+]C[C@H]1CCn2cc[nH+]c2C1 ZINC000309611183 385740118 /nfs/dbraw/zinc/74/01/18/385740118.db2.gz AGLSQLBWXGSCFB-NEPJUHHUSA-N 2 1 221.348 2.081 10 0 BEAEMP CC(C)CC[N@@H+](C[C@@]1(C)CC[NH2+]C1)C1CC1 ZINC000112530911 385845536 /nfs/dbraw/zinc/84/55/36/385845536.db2.gz KCPMZTNSVSAICQ-AWEZNQCLSA-N 2 1 224.392 2.497 10 0 BEAEMP C[NH2+][C@H](C)C[NH2+][C@@H]1CCCC[C@H]1C1CC1 ZINC000414964766 385910096 /nfs/dbraw/zinc/91/00/96/385910096.db2.gz CDSCXATVACSGQP-KGYLQXTDSA-N 2 1 210.365 2.153 10 0 BEAEMP CCC[C@@H]1C[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000336644566 386593749 /nfs/dbraw/zinc/59/37/49/386593749.db2.gz CHOWTIBLUQBHTM-BXUZGUMPSA-N 2 1 222.376 2.391 10 0 BEAEMP C[C@H]([NH3+])C[C@H](C)Nc1[nH]c2ccccc2[nH+]1 ZINC000320571681 386620265 /nfs/dbraw/zinc/62/02/65/386620265.db2.gz SKWIDEKRINGKPB-IUCAKERBSA-N 2 1 218.304 2.101 10 0 BEAEMP C(C[NH+]1CCCC1)C[N@H+]1CCCC2(CC2)C1 ZINC000186955932 387155311 /nfs/dbraw/zinc/15/53/11/387155311.db2.gz APKVRWDYSZQSHB-UHFFFAOYSA-N 2 1 222.376 2.348 10 0 BEAEMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@@H]1CCC12CCCC2 ZINC000423371592 387225759 /nfs/dbraw/zinc/22/57/59/387225759.db2.gz HPRSOVNVWSVBKG-YNEHKIRRSA-N 2 1 222.376 2.439 10 0 BEAEMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CCC12CCCC2 ZINC000423371590 387227196 /nfs/dbraw/zinc/22/71/96/387227196.db2.gz HPRSOVNVWSVBKG-RWMBFGLXSA-N 2 1 222.376 2.439 10 0 BEAEMP CCCC[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000105876816 387523103 /nfs/dbraw/zinc/52/31/03/387523103.db2.gz QFZAHKRAJCAZIT-UHFFFAOYSA-N 2 1 235.375 2.475 10 0 BEAEMP C[C@@H]1C[C@H]([NH+](C)CCOC(C)(C)C)CC[N@@H+]1C ZINC000123660807 387590380 /nfs/dbraw/zinc/59/03/80/387590380.db2.gz ZRDTXMRCKUHXIB-CHWSQXEVSA-N 2 1 242.407 2.216 10 0 BEAEMP C[C@@H]1C[C@H]([NH+](C)CCOC(C)(C)C)CC[N@H+]1C ZINC000123660807 387590383 /nfs/dbraw/zinc/59/03/83/387590383.db2.gz ZRDTXMRCKUHXIB-CHWSQXEVSA-N 2 1 242.407 2.216 10 0 BEAEMP C[C@@H]1C[C@H]([N@H+](C)CCOC(C)(C)C)CC[NH+]1C ZINC000123660807 387590386 /nfs/dbraw/zinc/59/03/86/387590386.db2.gz ZRDTXMRCKUHXIB-CHWSQXEVSA-N 2 1 242.407 2.216 10 0 BEAEMP C[C@@H]1C[C@H]([N@@H+](C)CCOC(C)(C)C)CC[NH+]1C ZINC000123660807 387590391 /nfs/dbraw/zinc/59/03/91/387590391.db2.gz ZRDTXMRCKUHXIB-CHWSQXEVSA-N 2 1 242.407 2.216 10 0 BEAEMP CCC[C@@H]1C[C@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000393943848 388447355 /nfs/dbraw/zinc/44/73/55/388447355.db2.gz CKUZDPSZJNLYIS-YIYPIFLZSA-N 2 1 222.376 2.391 10 0 BEAEMP [NH3+][C@@]1(c2ccccc2)CC[C@@H]2CCC[N@@H+]2C1 ZINC000091690790 388591965 /nfs/dbraw/zinc/59/19/65/388591965.db2.gz LXQAPKLETBYZPR-KBPBESRZSA-N 2 1 216.328 2.099 10 0 BEAEMP [NH3+][C@@]1(c2ccccc2)CC[C@@H]2CCC[N@H+]2C1 ZINC000091690790 388591969 /nfs/dbraw/zinc/59/19/69/388591969.db2.gz LXQAPKLETBYZPR-KBPBESRZSA-N 2 1 216.328 2.099 10 0 BEAEMP C[C@@H]([NH2+]Cc1ccc(F)cc1F)[C@@H]1CC[NH2+]C1 ZINC000400357278 533445275 /nfs/dbraw/zinc/44/52/75/533445275.db2.gz OUUFWOHNMJFTQP-NXEZZACHSA-N 2 1 240.297 2.052 10 0 BEAEMP Cc1ccc(N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)[nH+]c1 ZINC000037918224 132345588 /nfs/dbraw/zinc/34/55/88/132345588.db2.gz CVFBIXSETVRCBM-KBPBESRZSA-N 2 1 245.370 2.358 10 0 BEAEMP Cc1cccc(N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)[nH+]1 ZINC000037918367 132345773 /nfs/dbraw/zinc/34/57/73/132345773.db2.gz IJLMEXOFDLVIQK-KGLIPLIRSA-N 2 1 245.370 2.358 10 0 BEAEMP C([C@H]1CC[N@H+](C2CCC2)C1)[NH+]1CCCCC1 ZINC000178996715 134313923 /nfs/dbraw/zinc/31/39/23/134313923.db2.gz AOVURXQPVBVZKA-CYBMUJFWSA-N 2 1 222.376 2.347 10 0 BEAEMP CCCn1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000226865288 134370119 /nfs/dbraw/zinc/37/01/19/134370119.db2.gz XTKCTGZYQUFEOM-DZGCQCFKSA-N 2 1 249.402 2.470 10 0 BEAEMP CC1(C)C[N@H+](Cc2ccccc2F)CC[C@@H]1[NH3+] ZINC000258795018 135133990 /nfs/dbraw/zinc/13/39/90/135133990.db2.gz MVEVIIHYXKTQES-ZDUSSCGKSA-N 2 1 236.334 2.385 10 0 BEAEMP CC1(C)C[N@@H+](Cc2ccccc2F)CC[C@@H]1[NH3+] ZINC000258795018 135133991 /nfs/dbraw/zinc/13/39/91/135133991.db2.gz MVEVIIHYXKTQES-ZDUSSCGKSA-N 2 1 236.334 2.385 10 0 BEAEMP C[C@@H]1[C@H]([NH3+])CC[N@H+]1CC1CCC(C)CC1 ZINC000261536980 135173302 /nfs/dbraw/zinc/17/33/02/135173302.db2.gz ULIUWVVUIDXIOR-POOIEITISA-N 2 1 210.365 2.234 10 0 BEAEMP C[N@@H+](C[C@@H]1CCCC(F)(F)C1)C1CC[NH2+]CC1 ZINC000261538147 135175820 /nfs/dbraw/zinc/17/58/20/135175820.db2.gz JKMZSRJPSBRKST-LLVKDONJSA-N 2 1 246.345 2.496 10 0 BEAEMP C[NH2+]C[C@H]1CC[N@@H+](C[C@H]2CCCC(F)(F)C2)C1 ZINC000261538279 135175868 /nfs/dbraw/zinc/17/58/68/135175868.db2.gz VCIOJOMDSVQUED-NWDGAFQWSA-N 2 1 246.345 2.353 10 0 BEAEMP C[NH2+]C[C@H]1CC[N@@H+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC000261538283 135175901 /nfs/dbraw/zinc/17/59/01/135175901.db2.gz VCIOJOMDSVQUED-VXGBXAGGSA-N 2 1 246.345 2.353 10 0 BEAEMP CC[C@H]([NH2+]CC(C)(C)[NH3+])c1ccccc1OC ZINC000261560769 135201974 /nfs/dbraw/zinc/20/19/74/135201974.db2.gz UVMOMIZITCLCEH-LBPRGKRZSA-N 2 1 236.359 2.473 10 0 BEAEMP CC1CCC(C[N@H+]2C[C@H]3CCC[NH2+][C@H]3C2)CC1 ZINC000299918631 135382413 /nfs/dbraw/zinc/38/24/13/135382413.db2.gz KKYAMEVBVGJCDL-CVSAEHQPSA-N 2 1 236.403 2.497 10 0 BEAEMP CC[C@H](C)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000122073634 171274832 /nfs/dbraw/zinc/27/48/32/171274832.db2.gz CZETXKOTKWDPAU-YNEHKIRRSA-N 2 1 212.381 2.447 10 0 BEAEMP CC[C@H](C)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000122073634 171274833 /nfs/dbraw/zinc/27/48/33/171274833.db2.gz CZETXKOTKWDPAU-YNEHKIRRSA-N 2 1 212.381 2.447 10 0 BEAEMP CC[C@H](C)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000122073634 171274834 /nfs/dbraw/zinc/27/48/34/171274834.db2.gz CZETXKOTKWDPAU-YNEHKIRRSA-N 2 1 212.381 2.447 10 0 BEAEMP CC[C@H](C)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000122073634 171274835 /nfs/dbraw/zinc/27/48/35/171274835.db2.gz CZETXKOTKWDPAU-YNEHKIRRSA-N 2 1 212.381 2.447 10 0 BEAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCCC3CCC3)C[C@H]12 ZINC000662266471 409564648 /nfs/dbraw/zinc/56/46/48/409564648.db2.gz MDCDQXZFVRURQQ-MELADBBJSA-N 2 1 222.376 2.236 10 0 BEAEMP CC[C@H](CC(F)F)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000662266592 409567029 /nfs/dbraw/zinc/56/70/29/409567029.db2.gz NIONPDIVYPISIM-WRWGMCAJSA-N 2 1 246.345 2.337 10 0 BEAEMP CC(C)(C)CC[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000372468347 166572248 /nfs/dbraw/zinc/57/22/48/166572248.db2.gz FWPCHIAMRHIVKM-LLVKDONJSA-N 2 1 221.348 2.224 10 0 BEAEMP C[C@@H]1C[N@H+](C[C@H]2CCCCC2(F)F)C[C@H]1[NH3+] ZINC000394497168 410803153 /nfs/dbraw/zinc/80/31/53/410803153.db2.gz INFLILMPIHKFKI-GMTAPVOTSA-N 2 1 232.318 2.091 10 0 BEAEMP C[C@@H]1C[N@@H+](C[C@H]2CCCCC2(F)F)C[C@H]1[NH3+] ZINC000394497168 410803159 /nfs/dbraw/zinc/80/31/59/410803159.db2.gz INFLILMPIHKFKI-GMTAPVOTSA-N 2 1 232.318 2.091 10 0 BEAEMP C[C@@H]1C[N@H+](C[C@H]2CCCCC2(F)F)C[C@@H]1[NH3+] ZINC000394497171 410803248 /nfs/dbraw/zinc/80/32/48/410803248.db2.gz INFLILMPIHKFKI-MXWKQRLJSA-N 2 1 232.318 2.091 10 0 BEAEMP C[C@@H]1C[N@@H+](C[C@H]2CCCCC2(F)F)C[C@@H]1[NH3+] ZINC000394497171 410803251 /nfs/dbraw/zinc/80/32/51/410803251.db2.gz INFLILMPIHKFKI-MXWKQRLJSA-N 2 1 232.318 2.091 10 0 BEAEMP CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000396590136 410888422 /nfs/dbraw/zinc/88/84/22/410888422.db2.gz JHBPOEZMYCVWSQ-LOWDOPEQSA-N 2 1 210.365 2.295 10 0 BEAEMP CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000396590139 410888990 /nfs/dbraw/zinc/88/89/90/410888990.db2.gz JHBPOEZMYCVWSQ-NDBYEHHHSA-N 2 1 210.365 2.295 10 0 BEAEMP CC(C)[NH2+]CCCCC[N@@H+](C)C1CCOCC1 ZINC000052481239 167102641 /nfs/dbraw/zinc/10/26/41/167102641.db2.gz HZQGKTKDYUHDHE-UHFFFAOYSA-N 2 1 242.407 2.266 10 0 BEAEMP CC(C)[NH2+]C[C@H]1CC[N@@H+]([C@@H](C)c2ccccn2)C1 ZINC000053031135 167114520 /nfs/dbraw/zinc/11/45/20/167114520.db2.gz NZYGWWJZGVVEKZ-UONOGXRCSA-N 2 1 247.386 2.463 10 0 BEAEMP CC(C)[NH2+]C[C@H]1CC[N@H+]([C@@H](C)c2ccccn2)C1 ZINC000053031135 167114521 /nfs/dbraw/zinc/11/45/21/167114521.db2.gz NZYGWWJZGVVEKZ-UONOGXRCSA-N 2 1 247.386 2.463 10 0 BEAEMP CC(C)OCC[N@@H+](C)Cc1cccc(C[NH3+])c1 ZINC000049259240 167229642 /nfs/dbraw/zinc/22/96/42/167229642.db2.gz LZNONJKINBDMFU-UHFFFAOYSA-N 2 1 236.359 2.002 10 0 BEAEMP CC(C)[C@@H](C[NH2+][C@H](C)Cc1ccco1)[NH+](C)C ZINC000062769743 167399459 /nfs/dbraw/zinc/39/94/59/167399459.db2.gz YBWKLUMNEQEUHF-TZMCWYRMSA-N 2 1 238.375 2.386 10 0 BEAEMP CC1CCC([N@@H+](C)C2CC[NH2+]CC2)CC1 ZINC000042487838 168158031 /nfs/dbraw/zinc/15/80/31/168158031.db2.gz CTWAHFAJADYRJB-UHFFFAOYSA-N 2 1 210.365 2.249 10 0 BEAEMP C[C@@H](C[NH2+]C(C)(C)C)[NH+]1CCC(C)CC1 ZINC000052376863 168186555 /nfs/dbraw/zinc/18/65/55/168186555.db2.gz VRDJOQBVPKZWFA-LBPRGKRZSA-N 2 1 212.381 2.495 10 0 BEAEMP CC[N@@H+](Cc1ccncc1)[C@@H](C)CCC[NH2+]C ZINC000052515019 169926092 /nfs/dbraw/zinc/92/60/92/169926092.db2.gz GUACQXSSHMFZBR-ZDUSSCGKSA-N 2 1 235.375 2.292 10 0 BEAEMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccncc2)[C@H](C)C1 ZINC000125747820 170010203 /nfs/dbraw/zinc/01/02/03/170010203.db2.gz ULUGHOHUTWVTLP-UKRRQHHQSA-N 2 1 247.386 2.244 10 0 BEAEMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccncc2)[C@H](C)C1 ZINC000125747820 170010205 /nfs/dbraw/zinc/01/02/05/170010205.db2.gz ULUGHOHUTWVTLP-UKRRQHHQSA-N 2 1 247.386 2.244 10 0 BEAEMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccncc2)[C@H](C)C1 ZINC000125747820 170010206 /nfs/dbraw/zinc/01/02/06/170010206.db2.gz ULUGHOHUTWVTLP-UKRRQHHQSA-N 2 1 247.386 2.244 10 0 BEAEMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccncc2)[C@H](C)C1 ZINC000125747820 170010208 /nfs/dbraw/zinc/01/02/08/170010208.db2.gz ULUGHOHUTWVTLP-UKRRQHHQSA-N 2 1 247.386 2.244 10 0 BEAEMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccncc2)[C@H](C)C1 ZINC000125747552 170018418 /nfs/dbraw/zinc/01/84/18/170018418.db2.gz ULUGHOHUTWVTLP-HIFRSBDPSA-N 2 1 247.386 2.244 10 0 BEAEMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccncc2)[C@H](C)C1 ZINC000125747552 170018419 /nfs/dbraw/zinc/01/84/19/170018419.db2.gz ULUGHOHUTWVTLP-HIFRSBDPSA-N 2 1 247.386 2.244 10 0 BEAEMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccncc2)[C@H](C)C1 ZINC000125747552 170018422 /nfs/dbraw/zinc/01/84/22/170018422.db2.gz ULUGHOHUTWVTLP-HIFRSBDPSA-N 2 1 247.386 2.244 10 0 BEAEMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccncc2)[C@H](C)C1 ZINC000125747552 170018423 /nfs/dbraw/zinc/01/84/23/170018423.db2.gz ULUGHOHUTWVTLP-HIFRSBDPSA-N 2 1 247.386 2.244 10 0 BEAEMP CC[NH2+]CCCCC[N@@H+](C)C[C@@H]1CCCOC1 ZINC000104191482 170111840 /nfs/dbraw/zinc/11/18/40/170111840.db2.gz FLHYCYNJZNMUFH-AWEZNQCLSA-N 2 1 242.407 2.125 10 0 BEAEMP CC[NH2+]CCCC[N@H+]1CCc2ccccc2C1 ZINC000052419050 170112669 /nfs/dbraw/zinc/11/26/69/170112669.db2.gz FDZMYNSHRVSOSV-UHFFFAOYSA-N 2 1 232.371 2.434 10 0 BEAEMP CC[NH2+]Cc1cc(C[N@@H+](C)CC(C)(C)C)on1 ZINC000052570099 170125717 /nfs/dbraw/zinc/12/57/17/170125717.db2.gz OLWXVSHJOIFEAM-UHFFFAOYSA-N 2 1 239.363 2.262 10 0 BEAEMP CC[NH2+]Cc1ccc(C[N@@H+]2CCO[C@H](C)C2)cc1 ZINC000052382654 170126528 /nfs/dbraw/zinc/12/65/28/170126528.db2.gz XNSJPXPIPNTDKW-CYBMUJFWSA-N 2 1 248.370 2.017 10 0 BEAEMP CC[NH2+]Cc1ccc(C[N@H+]2CCO[C@H](C)C2)cc1 ZINC000052382654 170126529 /nfs/dbraw/zinc/12/65/29/170126529.db2.gz XNSJPXPIPNTDKW-CYBMUJFWSA-N 2 1 248.370 2.017 10 0 BEAEMP CC[NH2+][C@@H]1CC[N@H+](CCc2ccco2)[C@H](C)C1 ZINC000049713517 170151999 /nfs/dbraw/zinc/15/19/99/170151999.db2.gz GXYSHBZAJNGNAB-CHWSQXEVSA-N 2 1 236.359 2.285 10 0 BEAEMP CC[NH2+][C@@H]1CC[N@@H+](CCc2ccco2)[C@H](C)C1 ZINC000049713517 170152001 /nfs/dbraw/zinc/15/20/01/170152001.db2.gz GXYSHBZAJNGNAB-CHWSQXEVSA-N 2 1 236.359 2.285 10 0 BEAEMP CC[NH2+][C@@H]1CC[N@H+](CCc2cccnc2)[C@H](C)C1 ZINC000049712949 170152069 /nfs/dbraw/zinc/15/20/69/170152069.db2.gz GZFZELIXOQRUHR-UKRRQHHQSA-N 2 1 247.386 2.087 10 0 BEAEMP CC[NH2+][C@@H]1CC[N@@H+](CCc2cccnc2)[C@H](C)C1 ZINC000049712949 170152071 /nfs/dbraw/zinc/15/20/71/170152071.db2.gz GZFZELIXOQRUHR-UKRRQHHQSA-N 2 1 247.386 2.087 10 0 BEAEMP CC[NH2+][C@H]1CCC[C@@H]1C[N@H+]1CCCSCC1 ZINC000053879671 170166449 /nfs/dbraw/zinc/16/64/49/170166449.db2.gz ODULMMFCECUKQI-OLZOCXBDSA-N 2 1 242.432 2.204 10 0 BEAEMP CC[NH2+][C@H]1CC[N@H+](CCc2ccco2)[C@H](C)C1 ZINC000049713518 170167518 /nfs/dbraw/zinc/16/75/18/170167518.db2.gz GXYSHBZAJNGNAB-OLZOCXBDSA-N 2 1 236.359 2.285 10 0 BEAEMP CC[NH2+][C@H]1CC[N@@H+](CCc2ccco2)[C@H](C)C1 ZINC000049713518 170167519 /nfs/dbraw/zinc/16/75/19/170167519.db2.gz GXYSHBZAJNGNAB-OLZOCXBDSA-N 2 1 236.359 2.285 10 0 BEAEMP CC[NH2+][C@H]1CC[N@H+](CCc2ccco2)C[C@@H]1C ZINC000049713504 170168079 /nfs/dbraw/zinc/16/80/79/170168079.db2.gz FXBSLJWWLZNBQP-JSGCOSHPSA-N 2 1 236.359 2.142 10 0 BEAEMP CC[NH2+][C@H]1CC[N@@H+](CCc2ccco2)C[C@@H]1C ZINC000049713504 170168081 /nfs/dbraw/zinc/16/80/81/170168081.db2.gz FXBSLJWWLZNBQP-JSGCOSHPSA-N 2 1 236.359 2.142 10 0 BEAEMP CCOCCCC[NH2+]CC[N@@H+]1CCC[C@@H]1CC ZINC000053343094 170369759 /nfs/dbraw/zinc/36/97/59/170369759.db2.gz XODVQBGCUKCLFS-AWEZNQCLSA-N 2 1 242.407 2.267 10 0 BEAEMP CCOCCCC[NH2+]CC[N@H+]1CCC[C@@H]1CC ZINC000053343094 170369760 /nfs/dbraw/zinc/36/97/60/170369760.db2.gz XODVQBGCUKCLFS-AWEZNQCLSA-N 2 1 242.407 2.267 10 0 BEAEMP CCOCCC[NH2+]C[C@H](C)n1cc[nH+]c1CC ZINC000053541189 170380581 /nfs/dbraw/zinc/38/05/81/170380581.db2.gz BKBGBYAIONLRHL-LBPRGKRZSA-N 2 1 239.363 2.023 10 0 BEAEMP CCOCCC[NH2+]C[C@H](C)[N@H+]1CCC[C@@H]1CC ZINC000053447997 170380854 /nfs/dbraw/zinc/38/08/54/170380854.db2.gz DGIPBEGVBUJWMS-KBPBESRZSA-N 2 1 242.407 2.266 10 0 BEAEMP CCOCC[N@@H+](CC)CC1(C[NH2+]C)CCCC1 ZINC000104195556 170395116 /nfs/dbraw/zinc/39/51/16/170395116.db2.gz HBRZEJMISVASGF-UHFFFAOYSA-N 2 1 242.407 2.125 10 0 BEAEMP CCSCC[NH2+]C[C@H]1CCC[N@@H+]1CC(C)C ZINC000336780942 170636814 /nfs/dbraw/zinc/63/68/14/170636814.db2.gz SQEDSNRSTCRUNQ-CYBMUJFWSA-N 2 1 244.448 2.450 10 0 BEAEMP CCSCC[NH2+]C[C@H]1CCC[N@H+]1CC(C)C ZINC000336780942 170636816 /nfs/dbraw/zinc/63/68/16/170636816.db2.gz SQEDSNRSTCRUNQ-CYBMUJFWSA-N 2 1 244.448 2.450 10 0 BEAEMP CC[C@@H]1CC[N@H+](C2CCCC2)CCC[NH2+]1 ZINC000049664878 171009136 /nfs/dbraw/zinc/00/91/36/171009136.db2.gz SRRBKDVUDSFVCC-GFCCVEGCSA-N 2 1 210.365 2.393 10 0 BEAEMP CC[C@@H]1C[N@H+](Cc2ccc(C[NH2+]C)cc2)CCO1 ZINC000052477310 171087705 /nfs/dbraw/zinc/08/77/05/171087705.db2.gz ZMKAJLXYHBZAPD-OAHLLOKOSA-N 2 1 248.370 2.017 10 0 BEAEMP CC[C@@H]1C[N@@H+](Cc2ccc(C[NH2+]C)cc2)CCO1 ZINC000052477310 171087708 /nfs/dbraw/zinc/08/77/08/171087708.db2.gz ZMKAJLXYHBZAPD-OAHLLOKOSA-N 2 1 248.370 2.017 10 0 BEAEMP CC[C@@](C)(C[NH3+])[N@H+](C)Cc1ccccc1 ZINC000019471143 171166027 /nfs/dbraw/zinc/16/60/27/171166027.db2.gz XCHVGOQLWJTTQY-ZDUSSCGKSA-N 2 1 206.333 2.246 10 0 BEAEMP CC[C@@](C)(C[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000019471143 171166029 /nfs/dbraw/zinc/16/60/29/171166029.db2.gz XCHVGOQLWJTTQY-ZDUSSCGKSA-N 2 1 206.333 2.246 10 0 BEAEMP CC[C@@](C)(C[NH3+])C[N@@H+]1CCOc2ccccc2C1 ZINC000063013538 171167485 /nfs/dbraw/zinc/16/74/85/171167485.db2.gz ZUAKSNPNCKBPDN-HNNXBMFYSA-N 2 1 248.370 2.256 10 0 BEAEMP CC[C@@](C)(C[NH3+])C[N@H+]1CCOc2ccccc2C1 ZINC000063013538 171167487 /nfs/dbraw/zinc/16/74/87/171167487.db2.gz ZUAKSNPNCKBPDN-HNNXBMFYSA-N 2 1 248.370 2.256 10 0 BEAEMP CC[C@H](C)[N@@H+](CC)CC1(C[NH2+]C)CCOCC1 ZINC000052181404 171311707 /nfs/dbraw/zinc/31/17/07/171311707.db2.gz MJUBQVDFXWSFQU-ZDUSSCGKSA-N 2 1 242.407 2.123 10 0 BEAEMP CC[C@H](C)[N@@H+](CCOC)CC(CC)(CC)C[NH3+] ZINC000051256508 171315373 /nfs/dbraw/zinc/31/53/73/171315373.db2.gz KWPNHWPRNUNKKP-ZDUSSCGKSA-N 2 1 244.423 2.498 10 0 BEAEMP CC[C@H](C)[N@@H+](CCOC)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000042581342 171315839 /nfs/dbraw/zinc/31/58/39/171315839.db2.gz YNXWCWFAGZVZMH-MELADBBJSA-N 2 1 242.407 2.393 10 0 BEAEMP CC[C@H](C)[C@@H]([NH3+])C[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000042689314 171372262 /nfs/dbraw/zinc/37/22/62/171372262.db2.gz NJCPRKJMLINQJM-OBJOEFQTSA-N 2 1 242.407 2.107 10 0 BEAEMP CCc1[nH+]ccn1[C@H]1CCCC[C@@H]1[NH2+]C ZINC000044037463 172028733 /nfs/dbraw/zinc/02/87/33/172028733.db2.gz YJFRFDGJGUAAJU-QWRGUYRKSA-N 2 1 207.321 2.149 10 0 BEAEMP CCc1[nH+]ccn1[C@@H](c1ccsc1)[C@H](C)[NH3+] ZINC000043124268 172029678 /nfs/dbraw/zinc/02/96/78/172029678.db2.gz OIZROEMEJNARAH-JOYOIKCWSA-N 2 1 235.356 2.444 10 0 BEAEMP CCc1[nH+]ccn1[C@H]1CCCC[C@H]1[NH2+]C ZINC000044037469 172029796 /nfs/dbraw/zinc/02/97/96/172029796.db2.gz YJFRFDGJGUAAJU-MNOVXSKESA-N 2 1 207.321 2.149 10 0 BEAEMP C[N@@H+]1CCC[C@H](C[NH3+])[C@H]1c1ccc(F)cc1 ZINC000082363305 173042667 /nfs/dbraw/zinc/04/26/67/173042667.db2.gz LXOUXRZJIFLCRU-DGCLKSJQSA-N 2 1 222.307 2.167 10 0 BEAEMP C[N@H+]1CCC[C@H](C[NH3+])[C@H]1c1ccc(F)cc1 ZINC000082363305 173042669 /nfs/dbraw/zinc/04/26/69/173042669.db2.gz LXOUXRZJIFLCRU-DGCLKSJQSA-N 2 1 222.307 2.167 10 0 BEAEMP C[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3ccccc3C2)C1 ZINC000037646905 173117921 /nfs/dbraw/zinc/11/79/21/173117921.db2.gz CEILECQWANEAAE-XJKSGUPXSA-N 2 1 244.382 2.085 10 0 BEAEMP C[N@H+]1CC[C@H](C[NH2+][C@@H]2CCc3ccccc3C2)C1 ZINC000037646904 173147690 /nfs/dbraw/zinc/14/76/90/173147690.db2.gz CEILECQWANEAAE-CZUORRHYSA-N 2 1 244.382 2.085 10 0 BEAEMP C[NH2+]C1(C[NH3+])CCC(c2ccccc2)CC1 ZINC000050269762 173321383 /nfs/dbraw/zinc/32/13/83/173321383.db2.gz FUXPDOLGSZVSNZ-UHFFFAOYSA-N 2 1 218.344 2.261 10 0 BEAEMP C[NH2+]C1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000061363793 173323945 /nfs/dbraw/zinc/32/39/45/173323945.db2.gz KWPJVQAETLAKJG-JTQLQIEISA-N 2 1 224.373 2.493 10 0 BEAEMP C[NH2+]C1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000061363795 173324242 /nfs/dbraw/zinc/32/42/42/173324242.db2.gz KWPJVQAETLAKJG-SNVBAGLBSA-N 2 1 224.373 2.493 10 0 BEAEMP C[NH2+]C[C@@H]1CC[N@H+](C2CCCCCC2)C1 ZINC000011892089 173369801 /nfs/dbraw/zinc/36/98/01/173369801.db2.gz MYQDXFSIEQYJAO-LBPRGKRZSA-N 2 1 210.365 2.251 10 0 BEAEMP C[NH2+]C[C@H](c1ccccc1)n1cc[nH+]c1C ZINC000052576234 173377716 /nfs/dbraw/zinc/37/77/16/173377716.db2.gz XWZZRUGVWBFPQD-CYBMUJFWSA-N 2 1 215.300 2.000 10 0 BEAEMP C[NH2+]C[C@H]1CC[N@@H+]([C@@H](C)c2ccc(C)o2)C1 ZINC000053031951 173381466 /nfs/dbraw/zinc/38/14/66/173381466.db2.gz KMVKCQPUNKXPNI-NWDGAFQWSA-N 2 1 222.332 2.190 10 0 BEAEMP C[NH2+]C[C@H]1CC[N@H+]([C@@H](C)c2ccc(C)o2)C1 ZINC000053031951 173381467 /nfs/dbraw/zinc/38/14/67/173381467.db2.gz KMVKCQPUNKXPNI-NWDGAFQWSA-N 2 1 222.332 2.190 10 0 BEAEMP C[NH2+]Cc1cc(C[N@@H+](C)[C@@H](C)C(C)(C)C)on1 ZINC000052504410 173386940 /nfs/dbraw/zinc/38/69/40/173386940.db2.gz KLPWEIAMPJJNBQ-JTQLQIEISA-N 2 1 239.363 2.260 10 0 BEAEMP C[NH2+]Cc1ccoc1C[N@H+]1CCCC[C@@H]1C ZINC000052378640 173391875 /nfs/dbraw/zinc/39/18/75/173391875.db2.gz WAWSXHAWCWMEEB-NSHDSACASA-N 2 1 222.332 2.373 10 0 BEAEMP COCC[N@@H+](CC(C)C)[C@@H]1C[C@@H](C)CC[C@H]1[NH3+] ZINC000042368732 174287181 /nfs/dbraw/zinc/28/71/81/174287181.db2.gz VUTXUBNYPNFXCQ-BFHYXJOUSA-N 2 1 242.407 2.107 10 0 BEAEMP COCC[N@@H+](CCCC[NH2+]C1CC1)CC(C)C ZINC000052508374 174290219 /nfs/dbraw/zinc/29/02/19/174290219.db2.gz HFUMNBLFEQRKKT-UHFFFAOYSA-N 2 1 242.407 2.123 10 0 BEAEMP COCC[N@@H+](CCCCCC[NH3+])[C@H](C)C1CC1 ZINC000042689386 174291088 /nfs/dbraw/zinc/29/10/88/174291088.db2.gz GLEFVKPDGYQGKB-CYBMUJFWSA-N 2 1 242.407 2.252 10 0 BEAEMP COCC[N@@H+](C[C@H](C)C[NH2+]C(C)(C)C)C1CC1 ZINC000052542391 174298022 /nfs/dbraw/zinc/29/80/22/174298022.db2.gz YWTRNRCAURVQGP-GFCCVEGCSA-N 2 1 242.407 2.121 10 0 BEAEMP Cc1[nH+]ccn1CC[NH2+]CC1(C(C)C)CC1 ZINC000232667775 487628886 /nfs/dbraw/zinc/62/88/86/487628886.db2.gz AQYOVXRLXZERSE-UHFFFAOYSA-N 2 1 221.348 2.217 10 0 BEAEMP COc1cccc(C[N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c1 ZINC000042427410 175259621 /nfs/dbraw/zinc/25/96/21/175259621.db2.gz ZMPJNYHXFVCQHX-TZMCWYRMSA-N 2 1 248.370 2.254 10 0 BEAEMP COc1ccccc1C[C@](C)(C[NH3+])[NH+]1CCCC1 ZINC000037734849 175333988 /nfs/dbraw/zinc/33/39/88/175333988.db2.gz BYGLAMPJOYMKKL-OAHLLOKOSA-N 2 1 248.370 2.051 10 0 BEAEMP COc1ccccc1[C@@H](C)[NH+]1CCC([NH3+])CC1 ZINC000020521567 175344218 /nfs/dbraw/zinc/34/42/18/175344218.db2.gz LHFQZJUYORBTPC-LLVKDONJSA-N 2 1 234.343 2.179 10 0 BEAEMP C[C@@H](Cc1ccco1)[N@@H+]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000062772254 175774630 /nfs/dbraw/zinc/77/46/30/175774630.db2.gz MQWWTHIJRCVEDQ-AEGPPILISA-N 2 1 248.370 2.427 10 0 BEAEMP C[C@@H](Cc1ccco1)[N@H+]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000062772254 175774632 /nfs/dbraw/zinc/77/46/32/175774632.db2.gz MQWWTHIJRCVEDQ-AEGPPILISA-N 2 1 248.370 2.427 10 0 BEAEMP C[C@@H]1CC(C)(C)C[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000334854426 176051094 /nfs/dbraw/zinc/05/10/94/176051094.db2.gz MXRGYIRBIBGOLL-VXGBXAGGSA-N 2 1 210.365 2.106 10 0 BEAEMP C[C@@H]1CCC[N@@H+](Cc2cccnc2C[NH3+])CC1 ZINC000104347494 176101936 /nfs/dbraw/zinc/10/19/36/176101936.db2.gz YYRVMEFURZKICT-GFCCVEGCSA-N 2 1 233.359 2.162 10 0 BEAEMP C[C@@H]1CCC[N@H+]1CCCOc1cccc(C[NH3+])c1 ZINC000037910101 176107954 /nfs/dbraw/zinc/10/79/54/176107954.db2.gz OXERMBLINZYUPH-CYBMUJFWSA-N 2 1 248.370 2.399 10 0 BEAEMP C[C@@H]1CCC[N@H+]1CC1(C[NH3+])CCCCC1 ZINC000051205607 176108087 /nfs/dbraw/zinc/10/80/87/176108087.db2.gz GZJIBNFVKQZHSU-GFCCVEGCSA-N 2 1 210.365 2.380 10 0 BEAEMP C[C@@H]1CCC[N@H+]1CCOc1cccc(C[NH3+])c1 ZINC000038000061 176108255 /nfs/dbraw/zinc/10/82/55/176108255.db2.gz SMLNHNFZEYHQJL-GFCCVEGCSA-N 2 1 234.343 2.008 10 0 BEAEMP C[C@@H]1CCC[C@@H]([N@@H+](C)C2CC[NH2+]CC2)C1 ZINC000042493390 176120734 /nfs/dbraw/zinc/12/07/34/176120734.db2.gz ABOAHFDVBCZSAG-DGCLKSJQSA-N 2 1 210.365 2.249 10 0 BEAEMP C[C@@H]1CC[N@@H+](Cc2cc(C[NH3+])co2)[C@H](C)C1 ZINC000052510140 176174830 /nfs/dbraw/zinc/17/48/30/176174830.db2.gz YTMORSMBLUYIDG-GHMZBOCLSA-N 2 1 222.332 2.359 10 0 BEAEMP C[C@@H]1CC[C@@H](C[NH3+])[C@H]([N@@H+](C)Cc2cccnc2)C1 ZINC000036770830 176201980 /nfs/dbraw/zinc/20/19/80/176201980.db2.gz RRQKZZHCRBCWNX-VHDGCEQUSA-N 2 1 247.386 2.277 10 0 BEAEMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1ccccc1F ZINC000042427282 176202111 /nfs/dbraw/zinc/20/21/11/176202111.db2.gz MGADHQSYXNFFFM-NEPJUHHUSA-N 2 1 236.334 2.385 10 0 BEAEMP C[C@@H]1CC[C@@H](C[NH3+])[C@H]([N@@H+](C)Cc2ccccn2)C1 ZINC000036777090 176202711 /nfs/dbraw/zinc/20/27/11/176202711.db2.gz UEMGKOSDFILOKV-VNHYZAJKSA-N 2 1 247.386 2.277 10 0 BEAEMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1CCc1ccccc1 ZINC000042427368 176224120 /nfs/dbraw/zinc/22/41/20/176224120.db2.gz SHIOOIDCYVGEGV-UKRRQHHQSA-N 2 1 232.371 2.288 10 0 BEAEMP C[C@@H]1CC[C@H]([NH3+])[C@H]([N@H+](C)CCc2ccccn2)C1 ZINC000034679441 176228468 /nfs/dbraw/zinc/22/84/68/176228468.db2.gz PWUAPXBRNYIAMH-VHDGCEQUSA-N 2 1 247.386 2.072 10 0 BEAEMP C[C@@H]1CC[C@H]([NH3+])[C@H]([N@@H+](C)CCc2ccccn2)C1 ZINC000034679441 176228469 /nfs/dbraw/zinc/22/84/69/176228469.db2.gz PWUAPXBRNYIAMH-VHDGCEQUSA-N 2 1 247.386 2.072 10 0 BEAEMP C[C@H]1[C@@H]([NH3+])C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000068592930 176305318 /nfs/dbraw/zinc/30/53/18/176305318.db2.gz NMWRIHNNQCIKCJ-BZPMIXESSA-N 2 1 218.344 2.102 10 0 BEAEMP C[C@H]1[C@@H]([NH3+])C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000068592930 176305320 /nfs/dbraw/zinc/30/53/20/176305320.db2.gz NMWRIHNNQCIKCJ-BZPMIXESSA-N 2 1 218.344 2.102 10 0 BEAEMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH+](C)C ZINC000073654497 176306667 /nfs/dbraw/zinc/30/66/67/176306667.db2.gz KAKCSWWQYPXOFQ-HIFRSBDPSA-N 2 1 232.371 2.459 10 0 BEAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH+](C)C ZINC000073654497 176306669 /nfs/dbraw/zinc/30/66/69/176306669.db2.gz KAKCSWWQYPXOFQ-HIFRSBDPSA-N 2 1 232.371 2.459 10 0 BEAEMP C[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@@H]1[NH3+] ZINC000068593022 176362500 /nfs/dbraw/zinc/36/25/00/176362500.db2.gz JZDOXTQRTHHGOG-BZPMIXESSA-N 2 1 218.344 2.244 10 0 BEAEMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1[NH3+] ZINC000068593022 176362502 /nfs/dbraw/zinc/36/25/02/176362502.db2.gz JZDOXTQRTHHGOG-BZPMIXESSA-N 2 1 218.344 2.244 10 0 BEAEMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCc1ccsc1 ZINC000049713599 176371606 /nfs/dbraw/zinc/37/16/06/176371606.db2.gz NXYDQHHFOQCQHP-PWSUYJOCSA-N 2 1 224.373 2.102 10 0 BEAEMP C[C@H]1CCCC[N@H+]1Cc1ccc(C(N)=[NH2+])cc1F ZINC000019480605 177076113 /nfs/dbraw/zinc/07/61/13/177076113.db2.gz HFGQBOPDJPMFRX-JTQLQIEISA-N 2 1 249.333 2.484 10 0 BEAEMP C[C@H]1CCCC[C@]1(C[NH3+])[N@H+](C)Cc1ccncc1 ZINC000036775729 177090785 /nfs/dbraw/zinc/09/07/85/177090785.db2.gz ZZDBJKTZMIKCAJ-DZGCQCFKSA-N 2 1 247.386 2.421 10 0 BEAEMP C[C@H]1CCCC[C@]1(C[NH3+])[N@@H+](C)Cc1ccncc1 ZINC000036775729 177090786 /nfs/dbraw/zinc/09/07/86/177090786.db2.gz ZZDBJKTZMIKCAJ-DZGCQCFKSA-N 2 1 247.386 2.421 10 0 BEAEMP C[C@H]1CCC[N@@H+](CC2CCC([NH3+])CC2)C1 ZINC000037482378 177097070 /nfs/dbraw/zinc/09/70/70/177097070.db2.gz CYCMNDPORZCZRL-HIFPTAJRSA-N 2 1 210.365 2.236 10 0 BEAEMP C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1cc(C[NH3+])co1 ZINC000052373393 177100513 /nfs/dbraw/zinc/10/05/13/177100513.db2.gz MNVKJJMTJIJLCW-WDEREUQCSA-N 2 1 222.332 2.359 10 0 BEAEMP C[C@H]1CCC[N@@H+](Cc2ccccc2C(N)=[NH2+])C1 ZINC000019482601 177102597 /nfs/dbraw/zinc/10/25/97/177102597.db2.gz PGAUOVSCCGOQKZ-NSHDSACASA-N 2 1 231.343 2.203 10 0 BEAEMP C[C@H]1[C@H]([NH2+]C2CC[NH+](C)CC2)CCC[C@@H]1C ZINC000019963158 177122923 /nfs/dbraw/zinc/12/29/23/177122923.db2.gz OCXYJURIFZNPON-OUCADQQQSA-N 2 1 224.392 2.495 10 0 BEAEMP C[C@@H]1[C@@H](C)CCC[C@@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000019963160 177136565 /nfs/dbraw/zinc/13/65/65/177136565.db2.gz OCXYJURIFZNPON-SCRDCRAPSA-N 2 1 224.392 2.495 10 0 BEAEMP C[C@H]1CC[N@@H+](CC2(C[NH3+])CCCCC2)C1 ZINC000051249963 177159024 /nfs/dbraw/zinc/15/90/24/177159024.db2.gz DOZWUAMBRFMSNE-LBPRGKRZSA-N 2 1 210.365 2.237 10 0 BEAEMP C[C@@H]1CC[N@H+](CCc2cccnc2)CC[C@H](C)[NH2+]1 ZINC000049666860 177162093 /nfs/dbraw/zinc/16/20/93/177162093.db2.gz YLZNTTHRWOLEFY-OKILXGFUSA-N 2 1 247.386 2.087 10 0 BEAEMP C[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1ccoc1C[NH3+] ZINC000052510019 177167075 /nfs/dbraw/zinc/16/70/75/177167075.db2.gz BYRAVZDZCLJHLC-WDEREUQCSA-N 2 1 222.332 2.359 10 0 BEAEMP C[C@@H]1C[C@@H](C)CC[N@H+]1Cc1ccoc1C[NH3+] ZINC000052510019 177167076 /nfs/dbraw/zinc/16/70/76/177167076.db2.gz BYRAVZDZCLJHLC-WDEREUQCSA-N 2 1 222.332 2.359 10 0 BEAEMP C[C@@H]1C[C@@H](C)CC[N@H+]1Cc1occc1C[NH3+] ZINC000052509995 177168807 /nfs/dbraw/zinc/16/88/07/177168807.db2.gz LYNDXDOLHBKPAN-WDEREUQCSA-N 2 1 222.332 2.359 10 0 BEAEMP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1cccc(F)c1 ZINC000044412933 177201039 /nfs/dbraw/zinc/20/10/39/177201039.db2.gz XIPMFJXMWYKXRY-WCQYABFASA-N 2 1 236.334 2.385 10 0 BEAEMP C[C@H]1C[N@H+](C2(C)CCCCC2)CC[C@@H]1[NH3+] ZINC000045046028 177240776 /nfs/dbraw/zinc/24/07/76/177240776.db2.gz IENSCRYGFMSYRS-RYUDHWBXSA-N 2 1 210.365 2.378 10 0 BEAEMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH+](C)C ZINC000073654501 177264476 /nfs/dbraw/zinc/26/44/76/177264476.db2.gz KAKCSWWQYPXOFQ-ZFWWWQNUSA-N 2 1 232.371 2.459 10 0 BEAEMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH+](C)C ZINC000073654501 177264478 /nfs/dbraw/zinc/26/44/78/177264478.db2.gz KAKCSWWQYPXOFQ-ZFWWWQNUSA-N 2 1 232.371 2.459 10 0 BEAEMP C[C@H]1C[NH2+]CC[N@@H+](CCCc2ccccc2)C1 ZINC000049662215 177282516 /nfs/dbraw/zinc/28/25/16/177282516.db2.gz TVIDWWTYUFPIQP-AWEZNQCLSA-N 2 1 232.371 2.161 10 0 BEAEMP C[C@@H](c1ccncc1)[N@@H+]1C[C@H](C)C[NH2+]C[C@H](C)C1 ZINC000049666710 177285850 /nfs/dbraw/zinc/28/58/50/177285850.db2.gz SDDNYLIZGCKNPZ-MJBXVCDLSA-N 2 1 247.386 2.320 10 0 BEAEMP C[C@@H]1C[C@H](C)C[N@H+](CC2(C[NH3+])CCCC2)C1 ZINC000051206885 177313543 /nfs/dbraw/zinc/31/35/43/177313543.db2.gz PTTVWLKUNQEDRG-BETUJISGSA-N 2 1 224.392 2.483 10 0 BEAEMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C(N)=[NH2+])cc2)C1 ZINC000019508102 177314980 /nfs/dbraw/zinc/31/49/80/177314980.db2.gz JIIBARCNVLBQFN-TXEJJXNPSA-N 2 1 245.370 2.449 10 0 BEAEMP C[C@@H]1C[C@H](C)C[N@H+](Cc2cccc(C(N)=[NH2+])c2)C1 ZINC000019437739 177315520 /nfs/dbraw/zinc/31/55/20/177315520.db2.gz QLGJFWDQAYYTID-TXEJJXNPSA-N 2 1 245.370 2.449 10 0 BEAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)C[C@H]1[NH3+] ZINC000068592727 177326974 /nfs/dbraw/zinc/32/69/74/177326974.db2.gz NJDHZADSNKQAJW-MBNYWOFBSA-N 2 1 218.344 2.244 10 0 BEAEMP C[C@H]1C[C@@H]([NH+](C)CCOC(C)(C)C)CC[N@@H+]1C ZINC000123661505 177327339 /nfs/dbraw/zinc/32/73/39/177327339.db2.gz ZRDTXMRCKUHXIB-STQMWFEESA-N 2 1 242.407 2.216 10 0 BEAEMP C[C@H]1C[C@@H]([NH+](C)CCOC(C)(C)C)CC[N@H+]1C ZINC000123661505 177327341 /nfs/dbraw/zinc/32/73/41/177327341.db2.gz ZRDTXMRCKUHXIB-STQMWFEESA-N 2 1 242.407 2.216 10 0 BEAEMP C[C@H]1C[C@@H]([N@H+](C)CCOC(C)(C)C)CC[NH+]1C ZINC000123661505 177327344 /nfs/dbraw/zinc/32/73/44/177327344.db2.gz ZRDTXMRCKUHXIB-STQMWFEESA-N 2 1 242.407 2.216 10 0 BEAEMP C[C@H]1C[C@@H]([N@@H+](C)CCOC(C)(C)C)CC[NH+]1C ZINC000123661505 177327346 /nfs/dbraw/zinc/32/73/46/177327346.db2.gz ZRDTXMRCKUHXIB-STQMWFEESA-N 2 1 242.407 2.216 10 0 BEAEMP C[C@H]1C[C@@H]([NH2+]CCc2ccsc2)CC[N@H+]1C ZINC000122954343 177332585 /nfs/dbraw/zinc/33/25/85/177332585.db2.gz TYJWKBLICMHHOE-AAEUAGOBSA-N 2 1 238.400 2.363 10 0 BEAEMP C[C@H]1C[C@H]1C[N@@H+](C)Cc1ccc(F)cc1C[NH3+] ZINC000104417758 177379087 /nfs/dbraw/zinc/37/90/87/177379087.db2.gz QZRGMMZHJWNMSG-GWCFXTLKSA-N 2 1 236.334 2.372 10 0 BEAEMP Cc1[nH]c2ccccc2c1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000050245475 177514782 /nfs/dbraw/zinc/51/47/82/177514782.db2.gz DCNUYUVYONCGTN-LBPRGKRZSA-N 2 1 243.354 2.257 10 0 BEAEMP C[C@@H]1CC[C@H]([N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)C1 ZINC000309049212 229311459 /nfs/dbraw/zinc/31/14/59/229311459.db2.gz ONMOOMJVCIEUJZ-FVCCEPFGSA-N 2 1 210.365 2.092 10 0 BEAEMP CC[C@H]([NH2+][C@@H]1CCC[NH2+][C@@H]1C)C1CCC1 ZINC000396687430 323652451 /nfs/dbraw/zinc/65/24/51/323652451.db2.gz YXPZYEATHKVIPP-KGYLQXTDSA-N 2 1 210.365 2.295 10 0 BEAEMP COC[C@H](C)C[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000131682431 325177008 /nfs/dbraw/zinc/17/70/08/325177008.db2.gz NGGHXHZUPPIFAV-ZIAGYGMSSA-N 2 1 242.407 2.123 10 0 BEAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](C[C@@H]3CC[C@@H]4C[C@@H]4C3)C[C@@H]12 ZINC000403658579 488131557 /nfs/dbraw/zinc/13/15/57/488131557.db2.gz SKHFAKUZTWFXGN-PLJUSGQGSA-N 2 1 234.387 2.092 10 0 BEAEMP CC(C)(CC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1)C1CC1 ZINC000406020569 487494385 /nfs/dbraw/zinc/49/43/85/487494385.db2.gz DKRSTCGEYFGTAR-FPMFFAJLSA-N 2 1 236.403 2.482 10 0 BEAEMP C[C@H]1C[N@@H+](CCC(C)(C)C2CC2)C[C@H]1[NH3+] ZINC000405955619 487497582 /nfs/dbraw/zinc/49/75/82/487497582.db2.gz KGCOENBVLGRLOC-CMPLNLGQSA-N 2 1 210.365 2.092 10 0 BEAEMP C[C@H]1CCC[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000123910058 491121167 /nfs/dbraw/zinc/12/11/67/491121167.db2.gz KAPBVEGJVGKBKW-LBPRGKRZSA-N 2 1 230.355 2.317 10 0 BEAEMP c1ccc(C[N@H+]2C[C@H]3C[C@@H](C2)C3[NH2+]C2CC2)cc1 ZINC000307653503 491134128 /nfs/dbraw/zinc/13/41/28/491134128.db2.gz LINHOEYITJZCRO-MZBDJJRSSA-N 2 1 242.366 2.259 10 0 BEAEMP c1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)C3[NH2+]C2CC2)cc1 ZINC000307653503 491134129 /nfs/dbraw/zinc/13/41/29/491134129.db2.gz LINHOEYITJZCRO-MZBDJJRSSA-N 2 1 242.366 2.259 10 0 BEAEMP CCCC[N@H+]1CCC[C@]12C[NH2+]C[C@H](C)C2 ZINC000757126541 582501306 /nfs/dbraw/zinc/50/13/06/582501306.db2.gz GCLUMCHJSSWNID-OLZOCXBDSA-N 2 1 210.365 2.251 10 0 BEAEMP CCC1(CC)OC2(CC[NH2+]CC2)[NH2+]CC1(C)C ZINC000757147662 582531539 /nfs/dbraw/zinc/53/15/39/582531539.db2.gz SNZDSAHRAUMOFE-UHFFFAOYSA-N 2 1 240.391 2.271 10 0 BEAEMP C[C@H]([NH2+]Cc1ccc(F)cc1F)[C@@H]1CC[NH2+]C1 ZINC000400357280 533918706 /nfs/dbraw/zinc/91/87/06/533918706.db2.gz OUUFWOHNMJFTQP-VHSXEESVSA-N 2 1 240.297 2.052 10 0 BEAEMP CCCC[N@H+]1CC[C@H]([NH2+]C2CC2)C[C@H]1C ZINC000252475091 520597018 /nfs/dbraw/zinc/59/70/18/520597018.db2.gz SMBBDDCAEVIFFW-YPMHNXCESA-N 2 1 210.365 2.391 10 0 BEAEMP C[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)[C@H]1[NH3+] ZINC000238860550 524513742 /nfs/dbraw/zinc/51/37/42/524513742.db2.gz ZWBZAXCNTIOTLB-DYEKYZERSA-N 2 1 218.344 2.244 10 0 BEAEMP C[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)[C@H]1[NH3+] ZINC000238860550 524513746 /nfs/dbraw/zinc/51/37/46/524513746.db2.gz ZWBZAXCNTIOTLB-DYEKYZERSA-N 2 1 218.344 2.244 10 0 BEAEMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH+](C)C ZINC000242543455 525008223 /nfs/dbraw/zinc/00/82/23/525008223.db2.gz KAKCSWWQYPXOFQ-UKRRQHHQSA-N 2 1 232.371 2.459 10 0 BEAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH+](C)C ZINC000242543455 525008236 /nfs/dbraw/zinc/00/82/36/525008236.db2.gz KAKCSWWQYPXOFQ-UKRRQHHQSA-N 2 1 232.371 2.459 10 0 BEAEMP C[C@@H]1[C@@H]([NH3+])[C@@H](C)[C@H](C)C[N@@H+]1Cc1ccccc1 ZINC000238854021 525663585 /nfs/dbraw/zinc/66/35/85/525663585.db2.gz MCYADVOUXKSBRH-COMQUAJESA-N 2 1 232.371 2.490 10 0 BEAEMP C[C@@H]1[C@@H]([NH3+])[C@@H](C)[C@H](C)C[N@H+]1Cc1ccccc1 ZINC000238854021 525663593 /nfs/dbraw/zinc/66/35/93/525663593.db2.gz MCYADVOUXKSBRH-COMQUAJESA-N 2 1 232.371 2.490 10 0 BEAEMP CCC[N@H+]1CC[C@H]([NH+](CC)CC)[C@@H](C)C1 ZINC000226858327 534958445 /nfs/dbraw/zinc/95/84/45/534958445.db2.gz XFKDNNXXXRQXHS-STQMWFEESA-N 2 1 212.381 2.449 10 0 BEAEMP Cc1ccc([C@H]2C[C@H]([NH3+])CC[N@@H+]2C)cc1 ZINC000074204368 582497234 /nfs/dbraw/zinc/49/72/34/582497234.db2.gz YVHHPBHDNOEETG-CHWSQXEVSA-N 2 1 204.317 2.089 10 0 BEAEMP CCCC[N@H+]1CCC[C@@]12C[NH2+]C[C@H](C)C2 ZINC000757126536 582501494 /nfs/dbraw/zinc/50/14/94/582501494.db2.gz GCLUMCHJSSWNID-CHWSQXEVSA-N 2 1 210.365 2.251 10 0 BEAEMP C[C@@H]1C[NH2+]C[C@]2(CCC[N@H+]2CCC2CC2)C1 ZINC000757128204 582503374 /nfs/dbraw/zinc/50/33/74/582503374.db2.gz JMVFACMNFOHGFJ-JSGCOSHPSA-N 2 1 222.376 2.251 10 0 BEAEMP CCOCCC[N@H+]1CCC[C@]12CCC[NH2+][C@@H]2C ZINC000757123990 586426051 /nfs/dbraw/zinc/42/60/51/586426051.db2.gz BELULRICDQELPM-KGLIPLIRSA-N 2 1 240.391 2.020 10 0 BEAEMP C[C@@H](C1CCC1)[N@H+]1CCCC12CC[NH2+]CC2 ZINC000757134951 586427068 /nfs/dbraw/zinc/42/70/68/586427068.db2.gz XMVSXJASBRFZMI-LBPRGKRZSA-N 2 1 222.376 2.393 10 0 BEAEMP C[C@@H]1[NH2+][C@H](c2cccc3cc[nH]c32)CC[C@H]1[NH3+] ZINC000757218273 586441570 /nfs/dbraw/zinc/44/15/70/586441570.db2.gz UUIAZCQENYZUNX-BIMULSAOSA-N 2 1 229.327 2.308 10 0 BEAEMP C[C@@H]1C[C@@H]([NH3+])C[NH2+][C@@H]1c1cccc2cc[nH]c21 ZINC000757218284 586441921 /nfs/dbraw/zinc/44/19/21/586441921.db2.gz UVPNDTQWTUYJTK-XWIASGKRSA-N 2 1 229.327 2.166 10 0 BEAEMP C[NH2+]C[C@@H]1CC[N@H+]([C@H]2C[C@H]2c2ccccc2)C1 ZINC000250770552 635494929 /nfs/dbraw/zinc/49/49/29/635494929.db2.gz UTUQLICAIZRQDS-QEJZJMRPSA-N 2 1 230.355 2.084 10 0 BEAEMP C[C@H](Cc1ccccc1Cl)[NH2+][C@@H]1CC[NH2+]C1 ZINC000086726780 631471647 /nfs/dbraw/zinc/47/16/47/631471647.db2.gz SZDLGWSWJSWCRM-ZYHUDNBSSA-N 2 1 238.762 2.223 10 0 BEAEMP C[C@H]([NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)c1cccs1 ZINC000328417118 633764325 /nfs/dbraw/zinc/76/43/25/633764325.db2.gz IPZSRTOWWMBTJY-UCZLSJFXSA-N 2 1 248.395 2.395 10 0 BEAEMP COc1cccc(C[N@H+](C)CCC[NH2+]C2CC2)c1 ZINC000042442192 637251414 /nfs/dbraw/zinc/25/14/14/637251414.db2.gz OMXWEWXDTXGZTC-UHFFFAOYSA-N 2 1 248.370 2.269 10 0 BEAEMP COc1cccc(C[N@@H+](C)CCC[NH2+]C2CC2)c1 ZINC000042442192 637251417 /nfs/dbraw/zinc/25/14/17/637251417.db2.gz OMXWEWXDTXGZTC-UHFFFAOYSA-N 2 1 248.370 2.269 10 0 BEAEMP CCCCCC[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000134208649 711491478 /nfs/dbraw/zinc/49/14/78/711491478.db2.gz LXBYDYCJZDIIMM-CHWSQXEVSA-N 2 1 212.381 2.483 10 0 BEAEMP CC(C)CC[N@@H+](C[C@@H]1C[NH2+]C[C@H]1C)C1CC1 ZINC000113411915 641316410 /nfs/dbraw/zinc/31/64/10/641316410.db2.gz SRHLKEACLMJGDD-OLZOCXBDSA-N 2 1 224.392 2.352 10 0 BEAEMP C[N@@H+](CCCCCCC[NH3+])C[C@@H]1CCCO1 ZINC000042466550 641551130 /nfs/dbraw/zinc/55/11/30/641551130.db2.gz YSFQAWKFTHNHOW-ZDUSSCGKSA-N 2 1 228.380 2.006 10 0 BEAEMP CC(C)[C@H](C)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000319400485 641604175 /nfs/dbraw/zinc/60/41/75/641604175.db2.gz MBPWGJACSGWZFW-LBPRGKRZSA-N 2 1 210.365 2.106 10 0 BEAEMP CC[C@H](C)[N@H+]1CCC[C@@]12C[NH2+]C[C@@H](C)C2 ZINC000757132755 643257903 /nfs/dbraw/zinc/25/79/03/643257903.db2.gz RRODXZYTRSHGBL-RWMBFGLXSA-N 2 1 210.365 2.249 10 0 BEAEMP C[C@H](C1CCC1)[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000757135980 643277633 /nfs/dbraw/zinc/27/76/33/643277633.db2.gz XACUXOUIISFKRV-YPMHNXCESA-N 2 1 208.349 2.003 10 0 BEAEMP C[C@@H]1CC[N@@H+](CCC[NH2+]C2CC2)[C@H](C)C1 ZINC000051746334 643325664 /nfs/dbraw/zinc/32/56/64/643325664.db2.gz KHIKIQKNWPXPSX-VXGBXAGGSA-N 2 1 210.365 2.249 10 0 BEAEMP CC(C)OCC[N@H+](C)C1(C[NH3+])CCCCC1 ZINC000050088056 643590557 /nfs/dbraw/zinc/59/05/57/643590557.db2.gz YLMROABYSMDAPP-UHFFFAOYSA-N 2 1 228.380 2.005 10 0 BEAEMP CC(C)OCC[N@@H+](C)C1(C[NH3+])CCCCC1 ZINC000050088056 643590568 /nfs/dbraw/zinc/59/05/68/643590568.db2.gz YLMROABYSMDAPP-UHFFFAOYSA-N 2 1 228.380 2.005 10 0 BEAEMP C[C@H](C[N@H+]1CC2CC1(C[NH3+])C2)C(C)(C)C ZINC000711184779 712288327 /nfs/dbraw/zinc/28/83/27/712288327.db2.gz RDTGCTZAKNKXCZ-XSRFYTQQSA-N 2 1 210.365 2.092 10 0 BEAEMP CCC[C@@H](C)C[NH2+]C[C@H]1CC[N@@H+](CC)C1 ZINC000037484262 712650693 /nfs/dbraw/zinc/65/06/93/712650693.db2.gz VUNBDXXBGGGNBL-CHWSQXEVSA-N 2 1 212.381 2.354 10 0 BEAEMP Cc1cnc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)c(C)c1 ZINC000724084991 710736245 /nfs/dbraw/zinc/73/62/45/710736245.db2.gz GSWBKRIFIQWGCF-ZIAGYGMSSA-N 2 1 247.386 2.176 10 0 BEAEMP C[C@@H]1C[N@@H+](CCC(C)(C)C)CC[C@@H]1C[NH3+] ZINC000133084078 710967455 /nfs/dbraw/zinc/96/74/55/710967455.db2.gz MNOXUMAHZZXGNV-VXGBXAGGSA-N 2 1 212.381 2.339 10 0 BEAEMP Cc1cnc(C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)c(C)c1 ZINC000724071875 711559120 /nfs/dbraw/zinc/55/91/20/711559120.db2.gz FBPYDDUBKYUGII-ZIAGYGMSSA-N 2 1 245.370 2.058 10 0 BEAEMP CC(C)[C@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000709855609 712229737 /nfs/dbraw/zinc/22/97/37/712229737.db2.gz RMBZKCPFGUCQMB-IVZWLZJFSA-N 2 1 238.297 2.100 10 0 BEAEMP CO[C@@H]1C[N@@H+](C[C@@H](C)C(C)(C)C)[C@](C)(C[NH3+])C1 ZINC000710765678 712256537 /nfs/dbraw/zinc/25/65/37/712256537.db2.gz SCUGPKOVDFPJBL-DYEKYZERSA-N 2 1 242.407 2.107 10 0 BEAEMP C=C/C=C\CC[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000713735593 712470826 /nfs/dbraw/zinc/47/08/26/712470826.db2.gz PVWRQKWSDKOBDA-DSYXLKISSA-N 2 1 208.349 2.193 10 0 BEAEMP CCC1([NH3+])CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000714756197 712498008 /nfs/dbraw/zinc/49/80/08/712498008.db2.gz BCISUPQFWPDPJP-LBPRGKRZSA-N 2 1 233.359 2.346 10 0 BEAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CC[C@@H]3C[C@H]3C3CC3)C[C@@H]12 ZINC000714918446 712499770 /nfs/dbraw/zinc/49/97/70/712499770.db2.gz CXNHTQZAIQPZMN-GZBLMMOJSA-N 2 1 234.387 2.092 10 0 BEAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC[C@@H]3C[C@H]3C3CC3)C[C@H]12 ZINC000714847563 712501824 /nfs/dbraw/zinc/50/18/24/712501824.db2.gz CXNHTQZAIQPZMN-NIFZNCRKSA-N 2 1 234.387 2.092 10 0 BEAEMP C[N@@H+](CCC[NH2+]C1CC1)Cc1ccccc1 ZINC000037478497 712648306 /nfs/dbraw/zinc/64/83/06/712648306.db2.gz XUXAOKKYWJRTCR-UHFFFAOYSA-N 2 1 218.344 2.261 10 0 BEAEMP C[N@@H+](CCCC(C)(F)F)[C@H]1CCC[NH2+]CC1 ZINC000718570163 712774985 /nfs/dbraw/zinc/77/49/85/712774985.db2.gz IUZUKDAEDCCHIE-NSHDSACASA-N 2 1 234.334 2.496 10 0 BEAEMP C[C@H](C[N@H+]1CCC[C@H]2[NH2+]CC[C@@H]21)C(C)(C)C ZINC000720932641 712880178 /nfs/dbraw/zinc/88/01/78/712880178.db2.gz WPTAARIXFWXDNM-UPJWGTAASA-N 2 1 224.392 2.495 10 0 BEAEMP C[N@H+]1CCC[C@H](C[NH2+]CCCC(F)(F)F)C1 ZINC000123591965 961362343 /nfs/dbraw/zinc/36/23/43/961362343.db2.gz KDWUBBSIAJCQIP-SNVBAGLBSA-N 2 1 238.297 2.260 10 0 BEAEMP CC(C)[N@H+]1CC[C@@H]([NH3+])C12CCC(C)CC2 ZINC000685954159 538899081 /nfs/dbraw/zinc/89/90/81/538899081.db2.gz LNZDWRJOCUOREM-OTTFEQOBSA-N 2 1 210.365 2.377 10 0 BEAEMP CC(C)[N@H+]1CC[C@@H]([NH3+])C12CCC(F)(F)CC2 ZINC000685953003 538896316 /nfs/dbraw/zinc/89/63/16/538896316.db2.gz FHOVGWHXAYXIOA-SNVBAGLBSA-N 2 1 232.318 2.376 10 0 BEAEMP CC[N@H+]1CC[C@H]([NH3+])C12C[C@@H](C)C[C@H](C)C2 ZINC000685953105 538897150 /nfs/dbraw/zinc/89/71/50/538897150.db2.gz GBUWERBLNYSNPA-SRVKXCTJSA-N 2 1 210.365 2.234 10 0 BEAEMP CC(C)c1cccc([C@H]2C[NH2+]C[C@]2(C)[NH3+])c1 ZINC000685965364 538911703 /nfs/dbraw/zinc/91/17/03/538911703.db2.gz BDRAOLJIMOXIGA-KGLIPLIRSA-N 2 1 218.344 2.214 10 0 BEAEMP CC(C)c1ccc([C@H]2C[NH2+]C[C@]2(C)[NH3+])cc1 ZINC000685965886 538912457 /nfs/dbraw/zinc/91/24/57/538912457.db2.gz XXUKHTJOCHAUOP-KGLIPLIRSA-N 2 1 218.344 2.214 10 0 BEAEMP CCC(CC)(C[NH3+])C[N@@H+](CCOC)CC(C)C ZINC000051251277 168323022 /nfs/dbraw/zinc/32/30/22/168323022.db2.gz ZYVZZLPWFZGJQV-UHFFFAOYSA-N 2 1 244.423 2.356 10 0 BEAEMP CCC(CC)(C[NH2+]C)C[N@@H+](C)C1CCOCC1 ZINC000051218289 168325141 /nfs/dbraw/zinc/32/51/41/168325141.db2.gz AGKHSWNGGYKVRM-UHFFFAOYSA-N 2 1 242.407 2.123 10 0 BEAEMP CCC(CC)(C[NH2+]C)C[N@H+]1CCCO[C@@H](C)C1 ZINC000061934232 168325515 /nfs/dbraw/zinc/32/55/15/168325515.db2.gz MMLJKOXVEYPYSH-ZDUSSCGKSA-N 2 1 242.407 2.123 10 0 BEAEMP CCC[C@@H]1C[C@H]1[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000378712576 346812480 /nfs/dbraw/zinc/81/24/80/346812480.db2.gz VDUPWUSEVQNAQH-YIYPIFLZSA-N 2 1 224.392 2.495 10 0 BEAEMP Cc1cc(C[NH2+]C[C@@H]2CC[N@H+](C)C2)c(C)s1 ZINC000049686694 178021869 /nfs/dbraw/zinc/02/18/69/178021869.db2.gz XIDDBEJZAZIJHQ-LBPRGKRZSA-N 2 1 238.400 2.406 10 0 BEAEMP CCC1([N@H+]2CCC[C@H](C)C2)CC[NH2+]CC1 ZINC000536954526 398198518 /nfs/dbraw/zinc/19/85/18/398198518.db2.gz NUDQZARQWZVUMF-LBPRGKRZSA-N 2 1 210.365 2.251 10 0 BEAEMP Cc1cn2c([nH+]1)CC[C@@H](Nc1cc[nH+]c(C)c1)C2 ZINC000302772400 178183430 /nfs/dbraw/zinc/18/34/30/178183430.db2.gz NLGGAXFHOHTQQM-CYBMUJFWSA-N 2 1 242.326 2.322 10 0 BEAEMP CCC(CC)C[N@@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040749295 168353826 /nfs/dbraw/zinc/35/38/26/168353826.db2.gz JCPPAAWYFVHPFN-YHWZYXNKSA-N 2 1 210.365 2.377 10 0 BEAEMP C[NH2+]C[C@H]1CC[N@@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000381596800 398265974 /nfs/dbraw/zinc/26/59/74/398265974.db2.gz FPLNFIPFJYBLPA-NEPJUHHUSA-N 2 1 246.345 2.353 10 0 BEAEMP C[C@@]1(C[NH3+])CC[N@@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000381690693 398269588 /nfs/dbraw/zinc/26/95/88/398269588.db2.gz NKWPOQMYGBDPDQ-NEPJUHHUSA-N 2 1 246.345 2.483 10 0 BEAEMP C[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C[NH3+])C1 ZINC000038812869 342894468 /nfs/dbraw/zinc/89/44/68/342894468.db2.gz MRPBFWSFSJAPRS-JSGCOSHPSA-N 2 1 218.344 2.246 10 0 BEAEMP C[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C[NH3+])C1 ZINC000038812869 342894470 /nfs/dbraw/zinc/89/44/70/342894470.db2.gz MRPBFWSFSJAPRS-JSGCOSHPSA-N 2 1 218.344 2.246 10 0 BEAEMP CC(C)n1cc[nH+]c1[C@H]1CC[C@H]([NH3+])CC1 ZINC000584883080 343085922 /nfs/dbraw/zinc/08/59/22/343085922.db2.gz GKKLQDBIJLOCAE-XYPYZODXSA-N 2 1 207.321 2.449 10 0 BEAEMP C[NH2+]CCCC[N@@H+](C)Cc1ccccc1 ZINC000037477887 343144122 /nfs/dbraw/zinc/14/41/22/343144122.db2.gz YAHITYRZVJYQLP-UHFFFAOYSA-N 2 1 206.333 2.118 10 0 BEAEMP C[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](CN)C1 ZINC000166632585 344947948 /nfs/dbraw/zinc/94/79/48/344947948.db2.gz MRPBFWSFSJAPRS-TZMCWYRMSA-N 2 1 218.344 2.246 10 0 BEAEMP C[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](CN)C1 ZINC000166632585 344947951 /nfs/dbraw/zinc/94/79/51/344947951.db2.gz MRPBFWSFSJAPRS-TZMCWYRMSA-N 2 1 218.344 2.246 10 0 BEAEMP C[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C[NH3+])C1 ZINC000166632585 344947954 /nfs/dbraw/zinc/94/79/54/344947954.db2.gz MRPBFWSFSJAPRS-TZMCWYRMSA-N 2 1 218.344 2.246 10 0 BEAEMP C[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C[NH3+])C1 ZINC000166632585 344947957 /nfs/dbraw/zinc/94/79/57/344947957.db2.gz MRPBFWSFSJAPRS-TZMCWYRMSA-N 2 1 218.344 2.246 10 0 BEAEMP C[C@@H]1C[N@@H+](C/C=C\c2ccccc2)C[C@@H]1C[NH3+] ZINC000634998230 345198116 /nfs/dbraw/zinc/19/81/16/345198116.db2.gz CITPPGOSINXVLR-DBVFPWQWSA-N 2 1 230.355 2.226 10 0 BEAEMP C[C@H]1C[N@@H+](CC(C)(C)c2ccccc2)C[C@@H]1C[NH3+] ZINC000634998955 345198935 /nfs/dbraw/zinc/19/89/35/345198935.db2.gz NMMOAAJGRCWMJB-KBPBESRZSA-N 2 1 246.398 2.491 10 0 BEAEMP C[C@@H]1C[N@@H+](CC(C)(C)c2ccccc2)C[C@@H]1C[NH3+] ZINC000634998956 345199487 /nfs/dbraw/zinc/19/94/87/345199487.db2.gz NMMOAAJGRCWMJB-KGLIPLIRSA-N 2 1 246.398 2.491 10 0 BEAEMP Cc1ccsc1C[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000634999743 345200804 /nfs/dbraw/zinc/20/08/04/345200804.db2.gz YNWZGCQEXRIFHS-QWRGUYRKSA-N 2 1 224.373 2.083 10 0 BEAEMP Cc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)o1 ZINC000635010952 345212931 /nfs/dbraw/zinc/21/29/31/345212931.db2.gz WTIOIFBRYAAMCN-VXGBXAGGSA-N 2 1 222.332 2.066 10 0 BEAEMP Cc1cccc([C@H](C)C[NH2+][C@@H]2CC[NH2+]C2)c1 ZINC000215652085 345742347 /nfs/dbraw/zinc/74/23/47/345742347.db2.gz MXELIPCCEYLUOI-TZMCWYRMSA-N 2 1 218.344 2.050 10 0 BEAEMP Cc1cccc(C[N@H+](C)[C@@H](C)CC[NH3+])c1 ZINC000042435694 179070587 /nfs/dbraw/zinc/07/05/87/179070587.db2.gz MNKQHHIXVUUWBW-LBPRGKRZSA-N 2 1 206.333 2.164 10 0 BEAEMP CCc1cccc([C@H]2C[C@H]([NH3+])CC[N@H+]2C)c1 ZINC000675055016 537981797 /nfs/dbraw/zinc/98/17/97/537981797.db2.gz PMLRJMBOBFNYEG-ZIAGYGMSSA-N 2 1 218.344 2.343 10 0 BEAEMP Cc1cccc(N(C)Cc2ccc(C[NH3+])cc2)[nH+]1 ZINC000037757939 179117431 /nfs/dbraw/zinc/11/74/31/179117431.db2.gz YZUVVBIZHUCYFP-UHFFFAOYSA-N 2 1 241.338 2.485 10 0 BEAEMP Cc1cccc(NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000104192423 179145606 /nfs/dbraw/zinc/14/56/06/179145606.db2.gz FVGYSXAEOYZNGH-UHFFFAOYSA-N 2 1 249.402 2.290 10 0 BEAEMP Cc1cccc(NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000104192423 179145609 /nfs/dbraw/zinc/14/56/09/179145609.db2.gz FVGYSXAEOYZNGH-UHFFFAOYSA-N 2 1 249.402 2.290 10 0 BEAEMP C[N@H+]1CC[C@@H]([NH3+])[C@@H](Cc2ccc(Cl)cc2)C1 ZINC000250614109 362812772 /nfs/dbraw/zinc/81/27/72/362812772.db2.gz NMVIYJIRSMGZDN-WCQYABFASA-N 2 1 238.762 2.162 10 0 BEAEMP Cc1ccccc1C[N@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000062911521 179269886 /nfs/dbraw/zinc/26/98/86/179269886.db2.gz TXYBUXJYOSNXJB-OAHLLOKOSA-N 2 1 232.371 2.426 10 0 BEAEMP Cc1ccccc1C[N@@H+]1CC[NH2+]CC[C@H]1C ZINC000062609132 179273440 /nfs/dbraw/zinc/27/34/40/179273440.db2.gz VTYJGUZRDCWZLM-CYBMUJFWSA-N 2 1 218.344 2.179 10 0 BEAEMP CC(C)C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000171599993 535066302 /nfs/dbraw/zinc/06/63/02/535066302.db2.gz BHIYFKXXVZXVSV-UHFFFAOYSA-N 2 1 235.375 2.331 10 0 BEAEMP Cc1ccccc1[C@@H](C)[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000041027774 179318196 /nfs/dbraw/zinc/31/81/96/179318196.db2.gz MXQPEBRPOJXIHA-OLZOCXBDSA-N 2 1 218.344 2.479 10 0 BEAEMP Cc1ccccc1[C@@H](C)[N@H+]1CCC[C@H]([NH3+])C1 ZINC000041027774 179318197 /nfs/dbraw/zinc/31/81/97/179318197.db2.gz MXQPEBRPOJXIHA-OLZOCXBDSA-N 2 1 218.344 2.479 10 0 BEAEMP C[N@@H+](CCCCC[NH3+])Cc1ccccc1 ZINC000004226784 362931743 /nfs/dbraw/zinc/93/17/43/362931743.db2.gz PPIDOZCBSCCLAU-UHFFFAOYSA-N 2 1 206.333 2.247 10 0 BEAEMP C[C@]1(c2ccccc2)C[C@H]2C[C@@H]([NH3+])CC[N@H+]2C1 ZINC000256067621 349376273 /nfs/dbraw/zinc/37/62/73/349376273.db2.gz ZLFMATBIAZWSDB-ZNMIVQPWSA-N 2 1 230.355 2.140 10 0 BEAEMP CC(C)C[C@H]([NH3+])C[NH2+]Cc1cccs1 ZINC000040397566 191001518 /nfs/dbraw/zinc/00/15/18/191001518.db2.gz DXHKHZDEPZBIJT-JTQLQIEISA-N 2 1 212.362 2.211 10 0 BEAEMP Cc1nc([C@@H](C)NC[C@H]2CC[N@@H+](C)C2)cs1 ZINC000037484836 180037441 /nfs/dbraw/zinc/03/74/41/180037441.db2.gz PYBXFKUWBXCRPY-MWLCHTKSSA-N 2 1 239.388 2.054 10 0 BEAEMP CC(C)[C@H](C)[NH2+]C[C@@H]1CCn2cc[nH+]c2C1 ZINC000309676650 191065254 /nfs/dbraw/zinc/06/52/54/191065254.db2.gz LXRYRLNODVBXEC-NWDGAFQWSA-N 2 1 221.348 2.080 10 0 BEAEMP Cc1[nH+]ccn1[C@H](C[NH3+])c1ccc(Cl)cc1 ZINC000042947337 180272591 /nfs/dbraw/zinc/27/25/91/180272591.db2.gz JRIPKQKPRWIJDL-GFCCVEGCSA-N 2 1 235.718 2.393 10 0 BEAEMP Cc1[nH+]ccn1CCOc1ccc([C@@H](C)[NH3+])cc1 ZINC000049329342 180262346 /nfs/dbraw/zinc/26/23/46/180262346.db2.gz QOHLTPSSOXSALQ-LLVKDONJSA-N 2 1 245.326 2.290 10 0 BEAEMP Cc1[nH+]ccn1CCOc1cccc([C@@H](C)[NH3+])c1 ZINC000049329356 180262480 /nfs/dbraw/zinc/26/24/80/180262480.db2.gz HUNJSPPQAHAQTP-LLVKDONJSA-N 2 1 245.326 2.290 10 0 BEAEMP Cc1[nH+]ccn1[C@@H](c1cccc(F)c1)[C@@H](C)[NH3+] ZINC000042973153 180270874 /nfs/dbraw/zinc/27/08/74/180270874.db2.gz MQCRFLSXJNETHD-NOZJJQNGSA-N 2 1 233.290 2.267 10 0 BEAEMP Cc1[nH+]ccn1[C@H](c1ccc(F)cc1)[C@H](C)[NH3+] ZINC000042915856 180271980 /nfs/dbraw/zinc/27/19/80/180271980.db2.gz MLJBYISACZGJDJ-ZANVPECISA-N 2 1 233.290 2.267 10 0 BEAEMP Cc1[nH+]ccn1[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000023069055 180272138 /nfs/dbraw/zinc/27/21/38/180272138.db2.gz KORPKIZVVPVRJG-VXGBXAGGSA-N 2 1 207.321 2.414 10 0 BEAEMP Cc1[nH+]cn(CC[C@H]2CCCC[NH2+]2)c1C ZINC000051927090 180288358 /nfs/dbraw/zinc/28/83/58/180288358.db2.gz IFNDBKBVIOLAOR-GFCCVEGCSA-N 2 1 207.321 2.032 10 0 BEAEMP Cc1[nH+]cn([C@@H]2COc3ccccc3[C@H]2[NH3+])c1C ZINC000051926485 180288701 /nfs/dbraw/zinc/28/87/01/180288701.db2.gz OWPDHQGHSRHIOS-TZMCWYRMSA-N 2 1 243.310 2.133 10 0 BEAEMP Cc1[nH+]cn([C@H]2COc3ccccc3[C@H]2[NH3+])c1C ZINC000051926486 180288943 /nfs/dbraw/zinc/28/89/43/180288943.db2.gz OWPDHQGHSRHIOS-GXTWGEPZSA-N 2 1 243.310 2.133 10 0 BEAEMP Cc1[nH+]cn([C@@H](C[NH3+])c2ccsc2)c1C ZINC000051925753 180289183 /nfs/dbraw/zinc/28/91/83/180289183.db2.gz RHPUDDKWOGQJED-NSHDSACASA-N 2 1 221.329 2.110 10 0 BEAEMP Cc1[nH+]cn([C@H]2CCCCC[C@H]2[NH3+])c1C ZINC000051926506 180289700 /nfs/dbraw/zinc/28/97/00/180289700.db2.gz VXNNSWQIHMITJY-NEPJUHHUSA-N 2 1 207.321 2.332 10 0 BEAEMP c1coc([C@@H]2CCC[N@@H+]2CCn2ccnc2)c1 ZINC000163038195 350495560 /nfs/dbraw/zinc/49/55/60/350495560.db2.gz FUGPEITYKTUQNL-LBPRGKRZSA-N 2 1 231.299 2.313 10 0 BEAEMP c1coc([C@H]2CCC[N@@H+]2CCn2ccnc2)c1 ZINC000163038274 350496125 /nfs/dbraw/zinc/49/61/25/350496125.db2.gz FUGPEITYKTUQNL-GFCCVEGCSA-N 2 1 231.299 2.313 10 0 BEAEMP CC(C)C[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H]1C[C@H]1C ZINC000336650159 350575215 /nfs/dbraw/zinc/57/52/15/350575215.db2.gz DPEWTJHYRJYMND-MGPQQGTHSA-N 2 1 224.392 2.352 10 0 BEAEMP CC(C)C[N@H+]1CCC[C@@H]1C[NH2+]C[C@H]1C[C@H]1C ZINC000336650159 350575218 /nfs/dbraw/zinc/57/52/18/350575218.db2.gz DPEWTJHYRJYMND-MGPQQGTHSA-N 2 1 224.392 2.352 10 0 BEAEMP CC[N@@H+]1CCC[C@H](c2ccc[nH+]c2N)CC1 ZINC000616626945 351106791 /nfs/dbraw/zinc/10/67/91/351106791.db2.gz GRXDKLMTQWOCRO-NSHDSACASA-N 2 1 219.332 2.253 10 0 BEAEMP CC[N@H+]1CCC[C@H](c2ccc[nH+]c2N)CC1 ZINC000616626945 351106796 /nfs/dbraw/zinc/10/67/96/351106796.db2.gz GRXDKLMTQWOCRO-NSHDSACASA-N 2 1 219.332 2.253 10 0 BEAEMP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000306824527 351132179 /nfs/dbraw/zinc/13/21/79/351132179.db2.gz USAALUUCCKLXMC-HUUCEWRRSA-N 2 1 230.355 2.070 10 0 BEAEMP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000306824527 351132181 /nfs/dbraw/zinc/13/21/81/351132181.db2.gz USAALUUCCKLXMC-HUUCEWRRSA-N 2 1 230.355 2.070 10 0 BEAEMP C[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000306824527 351132185 /nfs/dbraw/zinc/13/21/85/351132185.db2.gz USAALUUCCKLXMC-HUUCEWRRSA-N 2 1 230.355 2.070 10 0 BEAEMP C[C@H]1/C(=C/C[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000307131364 351496002 /nfs/dbraw/zinc/49/60/02/351496002.db2.gz ZZRZBVFDSSWGIK-FUEWVNAISA-N 2 1 216.328 2.166 10 0 BEAEMP CC(C)(C)c1ccc([C@H]2C[NH2+]C[C@@]2(C)[NH3+])cc1 ZINC000725268219 538100368 /nfs/dbraw/zinc/10/03/68/538100368.db2.gz PDBZWBKHHSWGAZ-UKRRQHHQSA-N 2 1 232.371 2.388 10 0 BEAEMP CC(C)(C)c1ccc([C@@H]2C[NH2+]C[C@]2(C)[NH3+])cc1 ZINC000725268220 538100380 /nfs/dbraw/zinc/10/03/80/538100380.db2.gz PDBZWBKHHSWGAZ-ZFWWWQNUSA-N 2 1 232.371 2.388 10 0 BEAEMP CC(C)C[NH2+]CC[N@H+](C)C1CCCCC1 ZINC000052419269 535168908 /nfs/dbraw/zinc/16/89/08/535168908.db2.gz OHBVKPXNGQYIDT-UHFFFAOYSA-N 2 1 212.381 2.497 10 0 BEAEMP CC(C)C[NH2+]CC[N@@H+](C)C1CCCCC1 ZINC000052419269 535168913 /nfs/dbraw/zinc/16/89/13/535168913.db2.gz OHBVKPXNGQYIDT-UHFFFAOYSA-N 2 1 212.381 2.497 10 0 BEAEMP CC(C)C[N@@H+](C)C1CCC2(C[C@H]2[NH3+])CC1 ZINC000725270772 538102578 /nfs/dbraw/zinc/10/25/78/538102578.db2.gz SHYHTMUFBYEJRJ-OTTFEQOBSA-N 2 1 210.365 2.234 10 0 BEAEMP CC[C@H](C)C[NH2+]CC[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000725271574 538103500 /nfs/dbraw/zinc/10/35/00/538103500.db2.gz HTNBNWPJAAOCNT-MELADBBJSA-N 2 1 224.392 2.354 10 0 BEAEMP CC[C@H](C)C[NH2+]CC[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000725271574 538103502 /nfs/dbraw/zinc/10/35/02/538103502.db2.gz HTNBNWPJAAOCNT-MELADBBJSA-N 2 1 224.392 2.354 10 0 BEAEMP Cc1cccc2c1C=C(C[C@@H]([NH3+])C[NH3+])CC2 ZINC000140572111 353124648 /nfs/dbraw/zinc/12/46/48/353124648.db2.gz VOXVIFBXCZLKNB-CYBMUJFWSA-N 2 1 216.328 2.001 10 0 BEAEMP CC(C)[N@@H+](CCC(N)=[NH2+])Cc1ccccc1 ZINC000019513919 188108019 /nfs/dbraw/zinc/10/80/19/188108019.db2.gz NCKMCZMXIHMUBQ-UHFFFAOYSA-N 2 1 219.332 2.223 10 0 BEAEMP CCc1[nH+]ccn1-c1ccc(C[NH2+]C)cc1 ZINC000042420045 188119539 /nfs/dbraw/zinc/11/95/39/188119539.db2.gz XMYPFQWWNCDNLE-UHFFFAOYSA-N 2 1 215.300 2.154 10 0 BEAEMP CC(C)[N@@H+](C)CCn1ccc2c1CCC[C@@H]2[NH3+] ZINC000054133895 188127354 /nfs/dbraw/zinc/12/73/54/188127354.db2.gz RGWAVAJKVUGFGJ-ZDUSSCGKSA-N 2 1 235.375 2.164 10 0 BEAEMP CC(C)[N@H+](CC1CC1)[C@@H]1CCCCNC1 ZINC000054135469 188176606 /nfs/dbraw/zinc/17/66/06/188176606.db2.gz DKJDPFGWKMORTN-CYBMUJFWSA-N 2 1 210.365 2.249 10 0 BEAEMP NC(=[NH2+])CCCC[N@H+]1CCc2ccccc2C1 ZINC000049579661 181187121 /nfs/dbraw/zinc/18/71/21/181187121.db2.gz NKGOJIABYIIOFZ-UHFFFAOYSA-N 2 1 231.343 2.151 10 0 BEAEMP Cc1cc([C@@H]2C[C@@H]([NH3+])CC[N@H+]2C)ccc1F ZINC000083307805 538467025 /nfs/dbraw/zinc/46/70/25/538467025.db2.gz LERJWVPZCZSJGP-AAEUAGOBSA-N 2 1 222.307 2.228 10 0 BEAEMP Cc1cc([C@@H]2C[C@@H]([NH3+])CC[N@@H+]2C)ccc1F ZINC000083307805 538467028 /nfs/dbraw/zinc/46/70/28/538467028.db2.gz LERJWVPZCZSJGP-AAEUAGOBSA-N 2 1 222.307 2.228 10 0 BEAEMP CC[N@@H+]1CC[C@H]([NH3+])C[C@@H]1c1ccc(F)cc1 ZINC000675055732 538476511 /nfs/dbraw/zinc/47/65/11/538476511.db2.gz XCRZSIVFQRADFW-QWHCGFSZSA-N 2 1 222.307 2.310 10 0 BEAEMP CC[N@H+]1CC[C@H]([NH3+])C[C@@H]1c1ccc(F)cc1 ZINC000675055732 538476514 /nfs/dbraw/zinc/47/65/14/538476514.db2.gz XCRZSIVFQRADFW-QWHCGFSZSA-N 2 1 222.307 2.310 10 0 BEAEMP [NH3+]C[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000675061133 538487246 /nfs/dbraw/zinc/48/72/46/538487246.db2.gz YHPAGVSVNBAPRL-SOUVJXGZSA-N 2 1 230.355 2.103 10 0 BEAEMP C[C@@H]1C[C@H](C)C[N@@H+]([C@@H]2CCC[C@@H](C[NH3+])C2)C1 ZINC000257778257 538755069 /nfs/dbraw/zinc/75/50/69/538755069.db2.gz NKSXNHXXILHMCP-XJFOESAGSA-N 2 1 224.392 2.482 10 0 BEAEMP C[C@@H]1C[NH2+]C[C@H](C)[C@H]1[N@H+]1CCCC[C@H]1C ZINC000685951051 538894853 /nfs/dbraw/zinc/89/48/53/538894853.db2.gz MIQVNLQGAQUFAL-XQHKEYJVSA-N 2 1 210.365 2.105 10 0 BEAEMP Cc1c[nH+]ccc1N1CCC[N@H+](C2CC2)CC1 ZINC000192544633 357843639 /nfs/dbraw/zinc/84/36/39/357843639.db2.gz SFWNXKCYVUHTOY-UHFFFAOYSA-N 2 1 231.343 2.065 10 0 BEAEMP CC[C@@H]1CC[C@@H](CC[N@@H+](C)CC)[NH+](C)C1 ZINC000584627574 358296962 /nfs/dbraw/zinc/29/69/62/358296962.db2.gz XWUGWNNMONIIBW-OLZOCXBDSA-N 2 1 212.381 2.449 10 0 BEAEMP CC[C@@H]1CC[C@@H](CC[NH+](C)CC)[N@H+](C)C1 ZINC000584627574 358296966 /nfs/dbraw/zinc/29/69/66/358296966.db2.gz XWUGWNNMONIIBW-OLZOCXBDSA-N 2 1 212.381 2.449 10 0 BEAEMP CC[C@@H]1CC[C@@H](CC[NH+](C)CC)[N@@H+](C)C1 ZINC000584627574 358296971 /nfs/dbraw/zinc/29/69/71/358296971.db2.gz XWUGWNNMONIIBW-OLZOCXBDSA-N 2 1 212.381 2.449 10 0 BEAEMP CCC[C@H](C)C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000044534179 358390032 /nfs/dbraw/zinc/39/00/32/358390032.db2.gz CMIZHRJPQDOQCX-STQMWFEESA-N 2 1 212.381 2.354 10 0 BEAEMP C[C@@H]1c2ccsc2CC[N@@H+]1CCC[NH3+] ZINC000042740264 358529683 /nfs/dbraw/zinc/52/96/83/358529683.db2.gz CEBKBHQLLPJXIW-SECBINFHSA-N 2 1 210.346 2.016 10 0 BEAEMP C1C[N@@H+]2CCCC[C@H]2[C@@H]1[NH2+][C@@H]1CCCSC1 ZINC000061576228 358934937 /nfs/dbraw/zinc/93/49/37/358934937.db2.gz KANUHZYSSMSOHQ-UPJWGTAASA-N 2 1 240.416 2.098 10 0 BEAEMP C1C[N@H+]2CCCC[C@H]2[C@@H]1[NH2+][C@@H]1CCCSC1 ZINC000061576228 358934940 /nfs/dbraw/zinc/93/49/40/358934940.db2.gz KANUHZYSSMSOHQ-UPJWGTAASA-N 2 1 240.416 2.098 10 0 BEAEMP CC[C@@H]1C[N@H+](C/C(C)=C/Cl)CC[C@H]1[NH3+] ZINC000300400909 358989861 /nfs/dbraw/zinc/98/98/61/358989861.db2.gz DXTSYTWHGGURPP-WHTZOINASA-N 2 1 216.756 2.188 10 0 BEAEMP CC[C@@H]1C[N@@H+](C/C(C)=C/Cl)CC[C@H]1[NH3+] ZINC000300400909 358989862 /nfs/dbraw/zinc/98/98/62/358989862.db2.gz DXTSYTWHGGURPP-WHTZOINASA-N 2 1 216.756 2.188 10 0 BEAEMP C[N@H+]1CCC[C@H]2C[NH+](CC(C)(C)C)CC[C@H]21 ZINC000246445186 359089706 /nfs/dbraw/zinc/08/97/06/359089706.db2.gz NMUUSSWUGRSSTO-QWHCGFSZSA-N 2 1 224.392 2.449 10 0 BEAEMP C[NH+]1CCC[C@H]2C[N@H+](CC(C)(C)C)CC[C@H]21 ZINC000246445186 359089711 /nfs/dbraw/zinc/08/97/11/359089711.db2.gz NMUUSSWUGRSSTO-QWHCGFSZSA-N 2 1 224.392 2.449 10 0 BEAEMP C[NH+]1CCC[C@H]2C[N@@H+](CC(C)(C)C)CC[C@H]21 ZINC000246445186 359089715 /nfs/dbraw/zinc/08/97/15/359089715.db2.gz NMUUSSWUGRSSTO-QWHCGFSZSA-N 2 1 224.392 2.449 10 0 BEAEMP C[C@@H](Cc1ccccc1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000257360556 359342035 /nfs/dbraw/zinc/34/20/35/359342035.db2.gz FTIJVWUYXLEMTG-ZFWWWQNUSA-N 2 1 232.371 2.288 10 0 BEAEMP CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000090175165 360062321 /nfs/dbraw/zinc/06/23/21/360062321.db2.gz VDUPWUSEVQNAQH-DGAVXFQQSA-N 2 1 224.392 2.495 10 0 BEAEMP CC(=[NH2+])N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000306571221 360458147 /nfs/dbraw/zinc/45/81/47/360458147.db2.gz GVHHBRRVHYGCAV-DOMZBBRYSA-N 2 1 245.370 2.484 10 0 BEAEMP CCc1ccc([C@H]2C[C@H]([NH3+])CC[N@H+]2C)cc1 ZINC000074081395 541312550 /nfs/dbraw/zinc/31/25/50/541312550.db2.gz SWQJKRNHSDZRRR-ZIAGYGMSSA-N 2 1 218.344 2.343 10 0 BEAEMP [NH3+]CC1([NH2+]Cc2ccccc2)CCCC1 ZINC000075605220 181360001 /nfs/dbraw/zinc/36/00/01/181360001.db2.gz ATSPLZSVDDOQEE-UHFFFAOYSA-N 2 1 204.317 2.048 10 0 BEAEMP [NH3+]CC1CC2(C1)CC[N@@H+](Cc1ccccc1)C2 ZINC000095077516 181363849 /nfs/dbraw/zinc/36/38/49/181363849.db2.gz WONINLWJGOCBFL-UHFFFAOYSA-N 2 1 230.355 2.247 10 0 BEAEMP [NH3+]CCC[N@@H+](Cc1cccnc1)C1CCCC1 ZINC000034960478 181379918 /nfs/dbraw/zinc/37/99/18/181379918.db2.gz FPGXUPJCXJBWTA-UHFFFAOYSA-N 2 1 233.359 2.175 10 0 BEAEMP CC1CCC(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000385385927 367824879 /nfs/dbraw/zinc/82/48/79/367824879.db2.gz QGFCMGLVJKALEH-PQAZSJQKSA-N 2 1 222.376 2.106 10 0 BEAEMP CC1CCC(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000385385927 367824880 /nfs/dbraw/zinc/82/48/80/367824880.db2.gz QGFCMGLVJKALEH-PQAZSJQKSA-N 2 1 222.376 2.106 10 0 BEAEMP C[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@H]1[NH3+] ZINC000101417851 368383599 /nfs/dbraw/zinc/38/35/99/368383599.db2.gz JZDOXTQRTHHGOG-YRGRVCCFSA-N 2 1 218.344 2.244 10 0 BEAEMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@H]1[NH3+] ZINC000101417851 368383604 /nfs/dbraw/zinc/38/36/04/368383604.db2.gz JZDOXTQRTHHGOG-YRGRVCCFSA-N 2 1 218.344 2.244 10 0 BEAEMP Cc1ccc(F)cc1C[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631837376 369094395 /nfs/dbraw/zinc/09/43/95/369094395.db2.gz BADIHTYRQLVLSP-AAEUAGOBSA-N 2 1 236.334 2.161 10 0 BEAEMP CC(C)([NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000004204176 372168194 /nfs/dbraw/zinc/16/81/94/372168194.db2.gz VKMDDONHDBJSAT-CYBMUJFWSA-N 2 1 218.344 2.246 10 0 BEAEMP Cc1ccccc1C[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631842689 372641487 /nfs/dbraw/zinc/64/14/87/372641487.db2.gz DNOHWCIEPPAUDF-JSGCOSHPSA-N 2 1 218.344 2.022 10 0 BEAEMP C[C@H]1C[N@@H+](Cc2cccc(Cl)c2)C[C@@H]1C[NH3+] ZINC000631844062 372643189 /nfs/dbraw/zinc/64/31/89/372643189.db2.gz UYGQQEXXWVPTRX-JQWIXIFHSA-N 2 1 238.762 2.367 10 0 BEAEMP CCC[C@](C)([NH3+])C[NH2+]Cc1ccccc1 ZINC000040409848 373241309 /nfs/dbraw/zinc/24/13/09/373241309.db2.gz LLKFQUGOKPIDRT-ZDUSSCGKSA-N 2 1 206.333 2.294 10 0 BEAEMP C[C@@H]1CCC[C@H](CN)[N@@H+]1Cc1ccccc1 ZINC000069721354 373647760 /nfs/dbraw/zinc/64/77/60/373647760.db2.gz AZKQWCPTAGSIIP-TZMCWYRMSA-N 2 1 218.344 2.388 10 0 BEAEMP C[C@@H]1CCC[C@H](C[NH3+])[N@@H+]1Cc1ccccc1 ZINC000069721354 373647776 /nfs/dbraw/zinc/64/77/76/373647776.db2.gz AZKQWCPTAGSIIP-TZMCWYRMSA-N 2 1 218.344 2.388 10 0 BEAEMP C[C@@H]1CCC[C@H](C[NH3+])[N@H+]1Cc1ccccc1 ZINC000069721354 373647784 /nfs/dbraw/zinc/64/77/84/373647784.db2.gz AZKQWCPTAGSIIP-TZMCWYRMSA-N 2 1 218.344 2.388 10 0 BEAEMP c1cc2n(c1)[C@@H]1CCCC[C@@H]1[NH2+]C21CC[NH2+]CC1 ZINC000144315309 374284220 /nfs/dbraw/zinc/28/42/20/374284220.db2.gz VIIBZNSRDLMKHQ-QWHCGFSZSA-N 2 1 245.370 2.154 10 0 BEAEMP CCC[N@H+]1CC[C@H]([NH2+]CC(C)C)C[C@@H]1C ZINC000073655942 169209003 /nfs/dbraw/zinc/20/90/03/169209003.db2.gz XQLAIQKDMNUQBO-STQMWFEESA-N 2 1 212.381 2.495 10 0 BEAEMP CCC[N@H+]1CC[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000073655914 169209129 /nfs/dbraw/zinc/20/91/29/169209129.db2.gz GZNAUWNOUKBLSM-STQMWFEESA-N 2 1 210.365 2.345 10 0 BEAEMP CCC[NH2+]C1CC[NH+]([C@@H](C)[C@H]2CCCO2)CC1 ZINC000035735965 169255913 /nfs/dbraw/zinc/25/59/13/169255913.db2.gz GPQKCPPKVJHLAN-GXTWGEPZSA-N 2 1 240.391 2.018 10 0 BEAEMP c1ccc(C[N@@H+]2CC[NH2+]CCC23CC3)cc1 ZINC000097758390 183399219 /nfs/dbraw/zinc/39/92/19/183399219.db2.gz HNUHLDASOVBDEM-UHFFFAOYSA-N 2 1 216.328 2.015 10 0 BEAEMP c1ccc(C[N@H+]2CC[NH2+]CCC23CC3)cc1 ZINC000097758390 183399220 /nfs/dbraw/zinc/39/92/20/183399220.db2.gz HNUHLDASOVBDEM-UHFFFAOYSA-N 2 1 216.328 2.015 10 0 BEAEMP CCC[NH2+][C@@H]1CC[N@H+](C2CCOCC2)[C@H](C)C1 ZINC000049711434 169282321 /nfs/dbraw/zinc/28/23/21/169282321.db2.gz YWXVNLIRQVIMCJ-CHWSQXEVSA-N 2 1 240.391 2.018 10 0 BEAEMP CCCO[C@@H]1CCC[N@@H+]([C@@H]2CCCC[C@@H]2[NH3+])C1 ZINC000042421904 169312396 /nfs/dbraw/zinc/31/23/96/169312396.db2.gz FKTDTYVEWWPDFK-HZSPNIEDSA-N 2 1 240.391 2.147 10 0 BEAEMP CCCO[C@@H]1CCC[N@H+]([C@@H]2CCCC[C@@H]2[NH3+])C1 ZINC000042421904 169312398 /nfs/dbraw/zinc/31/23/98/169312398.db2.gz FKTDTYVEWWPDFK-HZSPNIEDSA-N 2 1 240.391 2.147 10 0 BEAEMP CCCO[C@H]1CCC[N@H+](CCC[NH2+]C2CC2)C1 ZINC000042424596 169312545 /nfs/dbraw/zinc/31/25/45/169312545.db2.gz OSIDSLGOTNQZDW-AWEZNQCLSA-N 2 1 240.391 2.020 10 0 BEAEMP CCCO[C@H]1CCC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000042424596 169312548 /nfs/dbraw/zinc/31/25/48/169312548.db2.gz OSIDSLGOTNQZDW-AWEZNQCLSA-N 2 1 240.391 2.020 10 0 BEAEMP CCC[NH2+][C@H]1CC[N@@H+](CC(C)C)C[C@@H]1C ZINC000049709014 169291450 /nfs/dbraw/zinc/29/14/50/169291450.db2.gz JLZDNMLZVHZDLZ-STQMWFEESA-N 2 1 212.381 2.352 10 0 BEAEMP Cc1cc[nH+]c(N[C@H](C)CCCC[NH3+])c1 ZINC000308833969 384335709 /nfs/dbraw/zinc/33/57/09/384335709.db2.gz KLZBGAUJVYGMIJ-LLVKDONJSA-N 2 1 207.321 2.319 10 0 BEAEMP CC(C)[N@H+]1CCC2(C1)CCC(C[NH3+])CC2 ZINC000095088225 384359952 /nfs/dbraw/zinc/35/99/52/384359952.db2.gz BKTNGQSSXPVXID-UHFFFAOYSA-N 2 1 210.365 2.236 10 0 BEAEMP CC(C)[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH3+] ZINC000076647145 384698368 /nfs/dbraw/zinc/69/83/68/384698368.db2.gz GMILKAIXHXFOEF-KGLIPLIRSA-N 2 1 218.344 2.102 10 0 BEAEMP CC(C)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH3+] ZINC000076647145 384698374 /nfs/dbraw/zinc/69/83/74/384698374.db2.gz GMILKAIXHXFOEF-KGLIPLIRSA-N 2 1 218.344 2.102 10 0 BEAEMP CCCC[C@H](C)[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000310018628 384787365 /nfs/dbraw/zinc/78/73/65/384787365.db2.gz MBRBERACOFPLOY-RYUDHWBXSA-N 2 1 221.348 2.366 10 0 BEAEMP c1c2ccccc2oc1C[NH2+]C[C@H]1CC[NH2+]C1 ZINC000398290152 384891052 /nfs/dbraw/zinc/89/10/52/384891052.db2.gz LCPPTCMDIWYSDN-NSHDSACASA-N 2 1 230.311 2.132 10 0 BEAEMP CC(C)C[C@H](N)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000020073489 385411696 /nfs/dbraw/zinc/41/16/96/385411696.db2.gz PFEXFQONOYGOKR-XQQFMLRXSA-N 2 1 212.381 2.338 10 0 BEAEMP CC(C)C[C@H]([NH3+])CN1C[C@H](C)C[C@H](C)C1 ZINC000020073489 385411697 /nfs/dbraw/zinc/41/16/97/385411697.db2.gz PFEXFQONOYGOKR-XQQFMLRXSA-N 2 1 212.381 2.338 10 0 BEAEMP c1cn2c([nH+]1)CC[C@@H](C[NH2+]C[C@H]1CC=CCC1)C2 ZINC000275507407 385452202 /nfs/dbraw/zinc/45/22/02/385452202.db2.gz KCESEVGRFPUTBG-KBPBESRZSA-N 2 1 245.370 2.391 10 0 BEAEMP CC(C)(C)C[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000309404888 385571488 /nfs/dbraw/zinc/57/14/88/385571488.db2.gz WXZGOFVPIGDIQU-LLVKDONJSA-N 2 1 221.348 2.081 10 0 BEAEMP CC[C@@H](C)C[NH2+]C[C@@H](C)[NH+](CC)CC ZINC000133521273 386311992 /nfs/dbraw/zinc/31/19/92/386311992.db2.gz WGTJHKIPXMENRT-VXGBXAGGSA-N 2 1 200.370 2.352 10 0 BEAEMP CCC[C@H]1C[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000336644571 386594072 /nfs/dbraw/zinc/59/40/72/386594072.db2.gz CHOWTIBLUQBHTM-FZMZJTMJSA-N 2 1 222.376 2.391 10 0 BEAEMP C[C@@]1(C[N@H+]2CC[C@H](c3ccccc3)C2)CC[NH2+]C1 ZINC000062912330 386531964 /nfs/dbraw/zinc/53/19/64/386531964.db2.gz MNRPAPMXGASSBW-JKSUJKDBSA-N 2 1 244.382 2.476 10 0 BEAEMP C[N@@H+](CC1CCCCC1)C[C@]1(C)CC[NH2+]C1 ZINC000062911742 386532616 /nfs/dbraw/zinc/53/26/16/386532616.db2.gz VANHTBOUHLOTGK-CQSZACIVSA-N 2 1 224.392 2.498 10 0 BEAEMP CC[C@H]1CCC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000062911258 386654763 /nfs/dbraw/zinc/65/47/63/386654763.db2.gz JQYHFVFSXOIBRJ-QWHCGFSZSA-N 2 1 210.365 2.108 10 0 BEAEMP CC[C@H]([NH2+][C@@H]1CCC[NH2+][C@H]1C)C1CCC1 ZINC000396687431 387482957 /nfs/dbraw/zinc/48/29/57/387482957.db2.gz YXPZYEATHKVIPP-WCFLWFBJSA-N 2 1 210.365 2.295 10 0 BEAEMP C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)C1C[NH2+]C1 ZINC000422731686 387640720 /nfs/dbraw/zinc/64/07/20/387640720.db2.gz OAGSXVRVOOXANM-DTWKUNHWSA-N 2 1 240.297 2.223 10 0 BEAEMP CC[C@@]1([NH3+])CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000575562206 387700926 /nfs/dbraw/zinc/70/09/26/387700926.db2.gz ZHXPTTZXIIJRLF-TZMCWYRMSA-N 2 1 218.344 2.388 10 0 BEAEMP CC[C@@]1([NH3+])CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000575562206 387700928 /nfs/dbraw/zinc/70/09/28/387700928.db2.gz ZHXPTTZXIIJRLF-TZMCWYRMSA-N 2 1 218.344 2.388 10 0 BEAEMP C[C@H]1[N@H+](Cc2ccccc2)CC[C@]1([NH3+])C1CC1 ZINC000575568790 387730318 /nfs/dbraw/zinc/73/03/18/387730318.db2.gz OGUWHMQSYNAZPZ-IUODEOHRSA-N 2 1 230.355 2.388 10 0 BEAEMP C[C@H]1[N@@H+](Cc2ccccc2)CC[C@]1([NH3+])C1CC1 ZINC000575568790 387730323 /nfs/dbraw/zinc/73/03/23/387730323.db2.gz OGUWHMQSYNAZPZ-IUODEOHRSA-N 2 1 230.355 2.388 10 0 BEAEMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1(C)CC1 ZINC000130218763 387779454 /nfs/dbraw/zinc/77/94/54/387779454.db2.gz XFXDIWCKFYAMSY-YNEHKIRRSA-N 2 1 222.376 2.391 10 0 BEAEMP C[C@@H](c1cccc(F)c1)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000193607300 387857583 /nfs/dbraw/zinc/85/75/83/387857583.db2.gz NANBYOXSXHPZJR-FPMFFAJLSA-N 2 1 248.345 2.380 10 0 BEAEMP C[C@@H](c1cccc(F)c1)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193607300 387857587 /nfs/dbraw/zinc/85/75/87/387857587.db2.gz NANBYOXSXHPZJR-FPMFFAJLSA-N 2 1 248.345 2.380 10 0 BEAEMP C[C@@H](c1cccc(F)c1)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193607300 387857591 /nfs/dbraw/zinc/85/75/91/387857591.db2.gz NANBYOXSXHPZJR-FPMFFAJLSA-N 2 1 248.345 2.380 10 0 BEAEMP C[C@@H](c1cccc(F)c1)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193607300 387857594 /nfs/dbraw/zinc/85/75/94/387857594.db2.gz NANBYOXSXHPZJR-FPMFFAJLSA-N 2 1 248.345 2.380 10 0 BEAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)[C@@H](C)[C@@H]1[NH3+] ZINC000238850683 387936089 /nfs/dbraw/zinc/93/60/89/387936089.db2.gz CNGGMQNYSIBNDV-RGCMKSIDSA-N 2 1 232.371 2.490 10 0 BEAEMP C[N@@H+](CC1CC(C)(C)C1)[C@@H]1CCC[NH2+]CC1 ZINC000530216678 388630647 /nfs/dbraw/zinc/63/06/47/388630647.db2.gz BUMSZMKIEFXEQN-CYBMUJFWSA-N 2 1 224.392 2.497 10 0 BEAEMP C[C@@H]([NH2+]Cc1cc(F)ccc1F)[C@H]1CC[NH2+]C1 ZINC000400353149 533440574 /nfs/dbraw/zinc/44/05/74/533440574.db2.gz NNVFIACMRNNBEM-ZJUUUORDSA-N 2 1 240.297 2.052 10 0 BEAEMP CC[C@H]1CCC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000219857288 134292316 /nfs/dbraw/zinc/29/23/16/134292316.db2.gz JQYHFVFSXOIBRJ-STQMWFEESA-N 2 1 210.365 2.108 10 0 BEAEMP C[C@@H](CCC[NH3+])Nc1cc[nH+]cc1Cl ZINC000087362263 135126649 /nfs/dbraw/zinc/12/66/49/135126649.db2.gz AWTXASVBTRKYCR-QMMMGPOBSA-N 2 1 213.712 2.274 10 0 BEAEMP [NH3+][C@H]1CCC[N@H+](C[C@H]2CCCC(F)(F)C2)C1 ZINC000261533086 135164158 /nfs/dbraw/zinc/16/41/58/135164158.db2.gz KALUORYYDAPINQ-QWRGUYRKSA-N 2 1 232.318 2.235 10 0 BEAEMP [NH3+][C@H]1CCC[N@@H+](C[C@H]2CCCC(F)(F)C2)C1 ZINC000261533086 135164160 /nfs/dbraw/zinc/16/41/60/135164160.db2.gz KALUORYYDAPINQ-QWRGUYRKSA-N 2 1 232.318 2.235 10 0 BEAEMP [NH3+]C[C@@H]1CCC[N@@H+]1C[C@@H]1CCCC(F)(F)C1 ZINC000261533072 135164293 /nfs/dbraw/zinc/16/42/93/135164293.db2.gz FSBRYYUMRHERDW-MNOVXSKESA-N 2 1 232.318 2.235 10 0 BEAEMP [NH3+]C[C@@H]1CCC[N@H+]1C[C@@H]1CCCC(F)(F)C1 ZINC000261533072 135164294 /nfs/dbraw/zinc/16/42/94/135164294.db2.gz FSBRYYUMRHERDW-MNOVXSKESA-N 2 1 232.318 2.235 10 0 BEAEMP C[C@@H]1C[N@H+](C[C@@H]2CCCC(F)(F)C2)C[C@@H]1[NH3+] ZINC000261533101 135164362 /nfs/dbraw/zinc/16/43/62/135164362.db2.gz PXHODGAAXOXNAI-MXWKQRLJSA-N 2 1 232.318 2.091 10 0 BEAEMP C[C@@H]1C[N@@H+](C[C@@H]2CCCC(F)(F)C2)C[C@@H]1[NH3+] ZINC000261533101 135164364 /nfs/dbraw/zinc/16/43/64/135164364.db2.gz PXHODGAAXOXNAI-MXWKQRLJSA-N 2 1 232.318 2.091 10 0 BEAEMP C[C@@H]1CCN(c2cc[nH+]cc2Cl)[C@H](C[NH3+])C1 ZINC000261534452 135166864 /nfs/dbraw/zinc/16/68/64/135166864.db2.gz QJNKEXDNRSXBMN-ZJUUUORDSA-N 2 1 239.750 2.299 10 0 BEAEMP C[NH2+]C[C@H]1CCC[N@@H+]1C[C@H]1CCCC(F)(F)C1 ZINC000261538212 135175170 /nfs/dbraw/zinc/17/51/70/135175170.db2.gz SHSNVGWNJXGSBF-NWDGAFQWSA-N 2 1 246.345 2.496 10 0 BEAEMP C[NH2+]C[C@H]1CCC[N@H+]1C[C@H]1CCCC(F)(F)C1 ZINC000261538212 135175171 /nfs/dbraw/zinc/17/51/71/135175171.db2.gz SHSNVGWNJXGSBF-NWDGAFQWSA-N 2 1 246.345 2.496 10 0 BEAEMP C[C@H]([NH3+])[C@H]1CC[N@@H+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC000261538302 135175327 /nfs/dbraw/zinc/17/53/27/135175327.db2.gz XHEVUKUFKDFWSI-TUAOUCFPSA-N 2 1 246.345 2.481 10 0 BEAEMP C[C@@H]1C[N@@H+](C[C@@H]2CCCC(F)(F)C2)CC[C@@H]1[NH3+] ZINC000261538123 135175434 /nfs/dbraw/zinc/17/54/34/135175434.db2.gz DVEGQXYBGFGWDQ-UTUOFQBUSA-N 2 1 246.345 2.481 10 0 BEAEMP CC[N@@H+](C[C@]1(C)CC[NH2+]C1)[C@H](C)C(C)C ZINC000261550798 135188937 /nfs/dbraw/zinc/18/89/37/135188937.db2.gz PRXVBVOADQYXIK-CHWSQXEVSA-N 2 1 212.381 2.352 10 0 BEAEMP CC[N@@H+](C[C@@]1(C)CC[NH2+]C1)[C@@H](C)C(C)C ZINC000261550803 135190438 /nfs/dbraw/zinc/19/04/38/135190438.db2.gz PRXVBVOADQYXIK-STQMWFEESA-N 2 1 212.381 2.352 10 0 BEAEMP C[C@H](c1cccnc1)[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261567048 135209728 /nfs/dbraw/zinc/20/97/28/135209728.db2.gz ZLBSUPRUOSSGTN-YPMHNXCESA-N 2 1 233.359 2.202 10 0 BEAEMP C[C@H](c1cccnc1)[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261567048 135209729 /nfs/dbraw/zinc/20/97/29/135209729.db2.gz ZLBSUPRUOSSGTN-YPMHNXCESA-N 2 1 233.359 2.202 10 0 BEAEMP CCC(CC)(CC)C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000261575481 135216814 /nfs/dbraw/zinc/21/68/14/135216814.db2.gz JUEUJWBRPMLVNJ-LBPRGKRZSA-N 2 1 212.381 2.483 10 0 BEAEMP CC(C)[NH2+]CCCC[N@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000043427996 167102836 /nfs/dbraw/zinc/10/28/36/167102836.db2.gz QGFFJJQDFVWZAI-KBPBESRZSA-N 2 1 240.391 2.018 10 0 BEAEMP Clc1c[nH+]ccc1NC[C@@H]1CCCC[NH2+]1 ZINC000086839746 487562343 /nfs/dbraw/zinc/56/23/43/487562343.db2.gz PHMCCOVEYZFTMF-VIFPVBQESA-N 2 1 225.723 2.289 10 0 BEAEMP CC(C)OCCC[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123670429 167209701 /nfs/dbraw/zinc/20/97/01/167209701.db2.gz FQWFLOFUINGXCW-ZIAGYGMSSA-N 2 1 242.407 2.216 10 0 BEAEMP CC(C)OCCC[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123670429 167209703 /nfs/dbraw/zinc/20/97/03/167209703.db2.gz FQWFLOFUINGXCW-ZIAGYGMSSA-N 2 1 242.407 2.216 10 0 BEAEMP CC(C)OCCC[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123670429 167209705 /nfs/dbraw/zinc/20/97/05/167209705.db2.gz FQWFLOFUINGXCW-ZIAGYGMSSA-N 2 1 242.407 2.216 10 0 BEAEMP CC(C)OCCC[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123670429 167209706 /nfs/dbraw/zinc/20/97/06/167209706.db2.gz FQWFLOFUINGXCW-ZIAGYGMSSA-N 2 1 242.407 2.216 10 0 BEAEMP CC[NH+](CC)CCC[NH2+]CCC[NH+](CC)CC ZINC000005649794 169773702 /nfs/dbraw/zinc/77/37/02/169773702.db2.gz MUFLLFPHQQDPIW-UHFFFAOYSA-N 3 1 243.439 2.040 10 0 BEAEMP CC(C)C[NH2+]CCCC[N@H+]1CCOC(C)(C)C1 ZINC000052481724 167002694 /nfs/dbraw/zinc/00/26/94/167002694.db2.gz AQBDUGVIVUQFQB-UHFFFAOYSA-N 2 1 242.407 2.123 10 0 BEAEMP CC(C)C[NH2+]C[C@H](C)C[N@H+](C)Cc1ccncc1 ZINC000052480905 167006820 /nfs/dbraw/zinc/00/68/20/167006820.db2.gz ZNBIRGAVWSMEAO-AWEZNQCLSA-N 2 1 249.402 2.395 10 0 BEAEMP CC(C)C[NH2+]C[C@H](C)C[N@@H+](C)Cc1ccncc1 ZINC000052480905 167006823 /nfs/dbraw/zinc/00/68/23/167006823.db2.gz ZNBIRGAVWSMEAO-AWEZNQCLSA-N 2 1 249.402 2.395 10 0 BEAEMP CC(C)C[NH2+][C@H]1CCC[N@@H+](C(C)(C)C)C1 ZINC000073653477 167014651 /nfs/dbraw/zinc/01/46/51/167014651.db2.gz HGBYUTGBCJBIAV-LBPRGKRZSA-N 2 1 212.381 2.495 10 0 BEAEMP CC(C)C[NH2+][C@H]1CCC[N@H+](C(C)(C)C)C1 ZINC000073653477 167014652 /nfs/dbraw/zinc/01/46/52/167014652.db2.gz HGBYUTGBCJBIAV-LBPRGKRZSA-N 2 1 212.381 2.495 10 0 BEAEMP CC(C)[NH2+]CCCC[N@@H+](C)C[C@@H]1CCCOC1 ZINC000104189218 167101432 /nfs/dbraw/zinc/10/14/32/167101432.db2.gz PNSDEWJHWPGZKV-AWEZNQCLSA-N 2 1 242.407 2.123 10 0 BEAEMP CC(C)[NH2+]CCCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000061935665 167102007 /nfs/dbraw/zinc/10/20/07/167102007.db2.gz KXTHYHAZWSOLGB-AWEZNQCLSA-N 2 1 242.407 2.266 10 0 BEAEMP CC(C)[NH2+]CCCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000052380735 167102975 /nfs/dbraw/zinc/10/29/75/167102975.db2.gz XICPORMWPNJHJG-OKILXGFUSA-N 2 1 242.407 2.264 10 0 BEAEMP CC(C)[NH2+]CC[N@@H+]1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000309637121 167106274 /nfs/dbraw/zinc/10/62/74/167106274.db2.gz SYNKHLGBIOLEFL-KGLIPLIRSA-N 2 1 224.392 2.497 10 0 BEAEMP CC(C)[NH2+]CC[N@H+]1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000309637121 167106279 /nfs/dbraw/zinc/10/62/79/167106279.db2.gz SYNKHLGBIOLEFL-KGLIPLIRSA-N 2 1 224.392 2.497 10 0 BEAEMP CC(C)[NH2+]C[C@H]1CC[N@H+]([C@@H]2CC2(C)C)C1 ZINC000053034386 167115407 /nfs/dbraw/zinc/11/54/07/167115407.db2.gz BBNHGTGWDNNCDL-VXGBXAGGSA-N 2 1 210.365 2.105 10 0 BEAEMP CC(C)[C@@H](C[NH2+]C1Cc2ccccc2C1)[NH+](C)C ZINC000035658051 167398414 /nfs/dbraw/zinc/39/84/14/167398414.db2.gz JRRJMPGUKPBKND-MRXNPFEDSA-N 2 1 246.398 2.330 10 0 BEAEMP Cn1c2ccccc2[nH+]c1NCC1([NH3+])CCCC1 ZINC000656610659 411308911 /nfs/dbraw/zinc/30/89/11/411308911.db2.gz MHPURIHNZMLFHE-UHFFFAOYSA-N 2 1 244.342 2.257 10 0 BEAEMP CCCC[C@@H](C[NH3+])Nc1cc(CC)[nH+]c(C)n1 ZINC000130525018 411357814 /nfs/dbraw/zinc/35/78/14/411357814.db2.gz MFMIFCXXFSIMTG-LBPRGKRZSA-N 2 1 236.363 2.277 10 0 BEAEMP CC[C@@H]1CN(c2cc[nH+]cc2Cl)CC[C@@H]1[NH3+] ZINC000122989052 411437266 /nfs/dbraw/zinc/43/72/66/411437266.db2.gz ZXAYPIRHSRDFIW-KOLCDFICSA-N 2 1 239.750 2.299 10 0 BEAEMP CC[N@H+]1CC[C@H](CNC(=[NH2+])C2CCCCC2)C1 ZINC000062990958 170015283 /nfs/dbraw/zinc/01/52/83/170015283.db2.gz BAFSDPMGYFGZQN-GFCCVEGCSA-N 2 1 237.391 2.475 10 0 BEAEMP CC[N@@H+]1CC[C@H](CNc2cc(C)cc[nH+]2)C1 ZINC000043561495 170017080 /nfs/dbraw/zinc/01/70/80/170017080.db2.gz KLKNHGJWPFRQSP-GFCCVEGCSA-N 2 1 219.332 2.144 10 0 BEAEMP CC[N@H+]1CC[C@H](CNc2cc(C)cc[nH+]2)C1 ZINC000043561495 170017081 /nfs/dbraw/zinc/01/70/81/170017081.db2.gz KLKNHGJWPFRQSP-GFCCVEGCSA-N 2 1 219.332 2.144 10 0 BEAEMP CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C(C)(C)C ZINC000054627058 170109787 /nfs/dbraw/zinc/10/97/87/170109787.db2.gz NITMSZAKTSHYSX-YOGCLGLASA-N 2 1 210.365 2.390 10 0 BEAEMP CC[NH2+]CCCCC[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000052543571 170111679 /nfs/dbraw/zinc/11/16/79/170111679.db2.gz TUCAILRSXKUBFT-ZDUSSCGKSA-N 2 1 242.407 2.266 10 0 BEAEMP CC[NH2+]CCCCC[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000052543572 170112065 /nfs/dbraw/zinc/11/20/65/170112065.db2.gz TUCAILRSXKUBFT-CYBMUJFWSA-N 2 1 242.407 2.266 10 0 BEAEMP CC[NH2+]CCC[C@@H](C)[N@@H+](C)Cc1ccncc1 ZINC000052480980 170112780 /nfs/dbraw/zinc/11/27/80/170112780.db2.gz OVNPALFRGOAMNO-CYBMUJFWSA-N 2 1 235.375 2.292 10 0 BEAEMP CC[NH2+]Cc1cccc(C[N@@H+]2CCOC[C@H]2C)c1 ZINC000052475774 170128685 /nfs/dbraw/zinc/12/86/85/170128685.db2.gz FISRQKKVXRBPDS-CYBMUJFWSA-N 2 1 248.370 2.017 10 0 BEAEMP CC[NH2+]Cc1cccc(C[N@H+]2CCOC[C@H]2C)c1 ZINC000052475774 170128687 /nfs/dbraw/zinc/12/86/87/170128687.db2.gz FISRQKKVXRBPDS-CYBMUJFWSA-N 2 1 248.370 2.017 10 0 BEAEMP CC[NH2+][C@H]1CC[N@@H+](CC2CCCC2)C[C@@H]1C ZINC000049710669 170166709 /nfs/dbraw/zinc/16/67/09/170166709.db2.gz GEOYLNODKLZZGP-JSGCOSHPSA-N 2 1 224.392 2.497 10 0 BEAEMP CCOCCC[NH2+]CC[N@H+](CC(C)C)C1CC1 ZINC000053429279 170380536 /nfs/dbraw/zinc/38/05/36/170380536.db2.gz SISGYCVMWYYOCO-UHFFFAOYSA-N 2 1 242.407 2.123 10 0 BEAEMP CCOCCC[NH2+]CC[N@@H+](CC(C)C)C1CC1 ZINC000053429279 170380537 /nfs/dbraw/zinc/38/05/37/170380537.db2.gz SISGYCVMWYYOCO-UHFFFAOYSA-N 2 1 242.407 2.123 10 0 BEAEMP CCOCCC[NH2+]CC[N@@H+]1CCC[C@@H](C)CC1 ZINC000104346315 170380637 /nfs/dbraw/zinc/38/06/37/170380637.db2.gz COGGJFJMSZPYBB-CQSZACIVSA-N 2 1 242.407 2.125 10 0 BEAEMP CCOCCC[NH2+]CC[N@H+]1CCC[C@@H](C)CC1 ZINC000104346315 170380639 /nfs/dbraw/zinc/38/06/39/170380639.db2.gz COGGJFJMSZPYBB-CQSZACIVSA-N 2 1 242.407 2.125 10 0 BEAEMP CCOCC[N@@H+](CC)C[C@H]1CCCC[C@@H]1[NH2+]C ZINC000104192043 170394691 /nfs/dbraw/zinc/39/46/91/170394691.db2.gz JVOAQMPVTZAWJQ-KGLIPLIRSA-N 2 1 242.407 2.123 10 0 BEAEMP CCOCC[N@@H+](CC)[C@H](C)CC[NH2+]CC(C)C ZINC000104188757 170395610 /nfs/dbraw/zinc/39/56/10/170395610.db2.gz WHHUYCBDQIAOML-CQSZACIVSA-N 2 1 244.423 2.369 10 0 BEAEMP CC[C@@H]([NH2+]C[C@@H](C)[NH+](CC)CC)C1CC1 ZINC000127663205 170898966 /nfs/dbraw/zinc/89/89/66/170898966.db2.gz COGKCRGXSMALCU-DGCLKSJQSA-N 2 1 212.381 2.495 10 0 BEAEMP CC[C@@H]1CC[N@H+](Cc2ccccn2)CCC[NH2+]1 ZINC000049666504 171012784 /nfs/dbraw/zinc/01/27/84/171012784.db2.gz RTLSYSXLWAOHOV-CYBMUJFWSA-N 2 1 233.359 2.046 10 0 BEAEMP CC[C@@H]1CC[N@@H+](Cc2ccccn2)CCC[NH2+]1 ZINC000049666504 171012786 /nfs/dbraw/zinc/01/27/86/171012786.db2.gz RTLSYSXLWAOHOV-CYBMUJFWSA-N 2 1 233.359 2.046 10 0 BEAEMP CC(C)=CCC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000662267118 412058563 /nfs/dbraw/zinc/05/85/63/412058563.db2.gz SDZVVDJHDWFSIV-AVGNSLFASA-N 2 1 208.349 2.012 10 0 BEAEMP CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1cccc(C[NH3+])c1 ZINC000036128089 171113589 /nfs/dbraw/zinc/11/35/89/171113589.db2.gz IZPNOQXRZSJTGH-IUODEOHRSA-N 2 1 248.370 2.145 10 0 BEAEMP CC[C@@H]1[C@@H]([NH3+])CCC[N@@H+]1Cc1ccccc1 ZINC000082367975 171157703 /nfs/dbraw/zinc/15/77/03/171157703.db2.gz QYIOHZIVSUBXIY-UONOGXRCSA-N 2 1 218.344 2.388 10 0 BEAEMP CC[C@@H]1[C@@H]([NH3+])CCC[N@H+]1Cc1ccccc1 ZINC000082367975 171157706 /nfs/dbraw/zinc/15/77/06/171157706.db2.gz QYIOHZIVSUBXIY-UONOGXRCSA-N 2 1 218.344 2.388 10 0 BEAEMP CC[C@H](C)[N@@H+](CCOC)CC1([NH3+])CCCCC1 ZINC000042593251 171315121 /nfs/dbraw/zinc/31/51/21/171315121.db2.gz KCICKODOYBQDQI-ZDUSSCGKSA-N 2 1 242.407 2.395 10 0 BEAEMP CC[C@H]1CCC[N@H+]1Cc1ccc(C(N)=[NH2+])cc1 ZINC000037914059 171620881 /nfs/dbraw/zinc/62/08/81/171620881.db2.gz FNTFJYGIMWNREM-ZDUSSCGKSA-N 2 1 231.343 2.345 10 0 BEAEMP CCc1[nH+]ccn1C[C@@H]([NH3+])c1ccccc1 ZINC000042419742 172024478 /nfs/dbraw/zinc/02/44/78/172024478.db2.gz FXBVTRZAUBZWNE-GFCCVEGCSA-N 2 1 215.300 2.146 10 0 BEAEMP CCc1[nH+]ccn1CC[NH2+]C(C1CC1)C1CC1 ZINC000053541282 172025212 /nfs/dbraw/zinc/02/52/12/172025212.db2.gz JIRMATDQXNJMGP-UHFFFAOYSA-N 2 1 233.359 2.224 10 0 BEAEMP CCc1[nH+]ccn1[C@@H](C[NH3+])c1sccc1C ZINC000043249258 172028867 /nfs/dbraw/zinc/02/88/67/172028867.db2.gz YVNOXANEXAADIJ-JTQLQIEISA-N 2 1 235.356 2.364 10 0 BEAEMP CCc1[nH+]ccn1[C@@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000042902893 172029321 /nfs/dbraw/zinc/02/93/21/172029321.db2.gz RJHZDVUOYQXAOI-BXUZGUMPSA-N 2 1 229.327 2.382 10 0 BEAEMP CCc1[nH+]ccn1[C@H](c1cccs1)[C@@H](C)[NH3+] ZINC000043107476 172029466 /nfs/dbraw/zinc/02/94/66/172029466.db2.gz ZSBGBWXDDSALRC-SKDRFNHKSA-N 2 1 235.356 2.444 10 0 BEAEMP C[N@@H+]1CCC[C@H](C[NH3+])[C@H]1c1cccc(F)c1 ZINC000082363307 173041952 /nfs/dbraw/zinc/04/19/52/173041952.db2.gz KXIWIWMASMGMSD-DGCLKSJQSA-N 2 1 222.307 2.167 10 0 BEAEMP C[N@H+]1CCC[C@H](C[NH3+])[C@H]1c1cccc(F)c1 ZINC000082363307 173041954 /nfs/dbraw/zinc/04/19/54/173041954.db2.gz KXIWIWMASMGMSD-DGCLKSJQSA-N 2 1 222.307 2.167 10 0 BEAEMP C[N@H+]1CCC[C@H](C[NH2+]C2(C)CCCC2)C1 ZINC000054243540 173042034 /nfs/dbraw/zinc/04/20/34/173042034.db2.gz MZUKKEXMKBFVCU-GFCCVEGCSA-N 2 1 210.365 2.251 10 0 BEAEMP C[N@@H+]1CC[C@@H](C[NH3+])[C@@H]1c1cccc(Cl)c1 ZINC000068592620 173113316 /nfs/dbraw/zinc/11/33/16/173113316.db2.gz ZIENPKRHFNGHTN-JQWIXIFHSA-N 2 1 224.735 2.292 10 0 BEAEMP C[N@H+]1CC[C@@H](C[NH3+])[C@@H]1c1cccc(Cl)c1 ZINC000068592620 173113318 /nfs/dbraw/zinc/11/33/18/173113318.db2.gz ZIENPKRHFNGHTN-JQWIXIFHSA-N 2 1 224.735 2.292 10 0 BEAEMP C[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(Cl)s2)C1 ZINC000037484773 173115744 /nfs/dbraw/zinc/11/57/44/173115744.db2.gz PQPSGOKKSTUZJN-VIFPVBQESA-N 2 1 244.791 2.443 10 0 BEAEMP C[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(Cl)s2)C1 ZINC000037484773 173115747 /nfs/dbraw/zinc/11/57/47/173115747.db2.gz PQPSGOKKSTUZJN-VIFPVBQESA-N 2 1 244.791 2.443 10 0 BEAEMP C[N@H+]1CC[C@H](C[NH2+]Cc2cccc(Cl)c2)C1 ZINC000037484680 173146553 /nfs/dbraw/zinc/14/65/53/173146553.db2.gz FZSXLTDQEVQDQN-GFCCVEGCSA-N 2 1 238.762 2.381 10 0 BEAEMP C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C(C)(C)C ZINC000054601569 173324553 /nfs/dbraw/zinc/32/45/53/173324553.db2.gz BLDAOAPMVNZDRW-YOGCLGLASA-N 2 1 210.365 2.390 10 0 BEAEMP C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C(C)(C)C ZINC000054601569 173324555 /nfs/dbraw/zinc/32/45/55/173324555.db2.gz BLDAOAPMVNZDRW-YOGCLGLASA-N 2 1 210.365 2.390 10 0 BEAEMP C[NH2+]CCCCC[N@H+]1CCOc2ccccc2C1 ZINC000063013751 173345543 /nfs/dbraw/zinc/34/55/43/173345543.db2.gz PUXJVZKDAGXPDV-UHFFFAOYSA-N 2 1 248.370 2.271 10 0 BEAEMP C[NH2+]C[C@@H]1CC[N@H+]([C@@H]2CCc3ccccc3C2)C1 ZINC000053034946 173370304 /nfs/dbraw/zinc/37/03/04/173370304.db2.gz WSQPYFXMOIBRBU-XJKSGUPXSA-N 2 1 244.382 2.085 10 0 BEAEMP C[NH2+]Cc1cc(C[N@H+]2CCC[C@@H]2C)oc1C ZINC000052375708 173387443 /nfs/dbraw/zinc/38/74/43/173387443.db2.gz MIYFJIDKYNITLS-JTQLQIEISA-N 2 1 222.332 2.292 10 0 BEAEMP COCCC[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000037901224 174246995 /nfs/dbraw/zinc/24/69/95/174246995.db2.gz LHVKTLMNYLHONL-UHFFFAOYSA-N 2 1 242.407 2.267 10 0 BEAEMP COCC[N@@H+](C1CC1)[C@@]1(C[NH3+])CCC[C@@H](C)C1 ZINC000042517876 174285279 /nfs/dbraw/zinc/28/52/79/174285279.db2.gz VSRJVFGSANNGDK-OCCSQVGLSA-N 2 1 240.391 2.005 10 0 BEAEMP COCC[N@H+](CC(C)C)[C@H](C)C[NH2+]CC(C)C ZINC000052508409 174286963 /nfs/dbraw/zinc/28/69/63/174286963.db2.gz ARTLFXKDMOLXOC-CQSZACIVSA-N 2 1 244.423 2.225 10 0 BEAEMP COCC[N@@H+](CC(C)C)[C@H](C)C[NH2+]CC(C)C ZINC000052508409 174286965 /nfs/dbraw/zinc/28/69/65/174286965.db2.gz ARTLFXKDMOLXOC-CQSZACIVSA-N 2 1 244.423 2.225 10 0 BEAEMP COCC[N@@H+](CC(C)C)[C@@H]1C[C@@H](C)CC[C@@H]1[NH3+] ZINC000042368726 174287815 /nfs/dbraw/zinc/28/78/15/174287815.db2.gz VUTXUBNYPNFXCQ-MELADBBJSA-N 2 1 242.407 2.107 10 0 BEAEMP COCC[N@@H+](CC1([NH3+])CCCC1)[C@H](C)C1CC1 ZINC000042689302 174288302 /nfs/dbraw/zinc/28/83/02/174288302.db2.gz VRVQTBAYMABEAX-GFCCVEGCSA-N 2 1 240.391 2.005 10 0 BEAEMP COCC[N@@H+](CCC[NH2+]CC(C)C)CC(C)C ZINC000052508487 174291469 /nfs/dbraw/zinc/29/14/69/174291469.db2.gz XFLOTTHNGHNNAD-UHFFFAOYSA-N 2 1 244.423 2.227 10 0 BEAEMP COCC[N@@H+](C[C@@H]([NH3+])CC(C)C)[C@@H](C)C1CC1 ZINC000042689389 174297208 /nfs/dbraw/zinc/29/72/08/174297208.db2.gz CDBXANRFZGCQCD-JSGCOSHPSA-N 2 1 242.407 2.107 10 0 BEAEMP C[C@@H](c1ccco1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044527635 176033201 /nfs/dbraw/zinc/03/32/01/176033201.db2.gz QIXMJKHXVYDBKK-WDEREUQCSA-N 2 1 208.305 2.011 10 0 BEAEMP C[C@@H](c1cccs1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000100256841 176033847 /nfs/dbraw/zinc/03/38/47/176033847.db2.gz MIHDNGGEPCMZHF-QWRGUYRKSA-N 2 1 224.373 2.480 10 0 BEAEMP C[C@@H]1CCCC[N@H+]1CCC[C@@H]1CCC[NH2+]1 ZINC000052764266 176070242 /nfs/dbraw/zinc/07/02/42/176070242.db2.gz MEBMBLCNLWDAQX-OLZOCXBDSA-N 2 1 210.365 2.393 10 0 BEAEMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C(N)=[NH2+] ZINC000019437763 176073565 /nfs/dbraw/zinc/07/35/65/176073565.db2.gz OGVXRKCJKAZMHG-LLVKDONJSA-N 2 1 231.343 2.345 10 0 BEAEMP C[C@@H]1CCCC[C@@]1(C[NH3+])[N@H+](C)Cc1ccncc1 ZINC000036775726 176083245 /nfs/dbraw/zinc/08/32/45/176083245.db2.gz ZZDBJKTZMIKCAJ-HIFRSBDPSA-N 2 1 247.386 2.421 10 0 BEAEMP C[C@@H]1CCCC[C@@]1(C[NH3+])[N@@H+](C)Cc1ccncc1 ZINC000036775726 176083247 /nfs/dbraw/zinc/08/32/47/176083247.db2.gz ZZDBJKTZMIKCAJ-HIFRSBDPSA-N 2 1 247.386 2.421 10 0 BEAEMP C[C@@H]1CCC[N@@H+](Cc2cccc(C(N)=[NH2+])c2)C1 ZINC000019479778 176101722 /nfs/dbraw/zinc/10/17/22/176101722.db2.gz JCGWXAHNHDWHOL-LLVKDONJSA-N 2 1 231.343 2.203 10 0 BEAEMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH3+])o2)[C@@H]1C ZINC000052373314 176102228 /nfs/dbraw/zinc/10/22/28/176102228.db2.gz OMEXHCWLITZGBI-GHMZBOCLSA-N 2 1 222.332 2.359 10 0 BEAEMP C[C@@H]1CCC[N@H+]1CCCOc1ccc(C[NH3+])cc1 ZINC000037910085 176107915 /nfs/dbraw/zinc/10/79/15/176107915.db2.gz VGYIBIWODOFPLB-CYBMUJFWSA-N 2 1 248.370 2.399 10 0 BEAEMP C[C@@H]1CC[N@H+](C2CCCCC2)CCC[NH2+]1 ZINC000049665012 176167314 /nfs/dbraw/zinc/16/73/14/176167314.db2.gz JUKNHGAMDLEYGO-GFCCVEGCSA-N 2 1 210.365 2.393 10 0 BEAEMP C[C@@H]1CC[N@@H+](CCOC2CCCC2)CCC[NH2+]1 ZINC000111763015 176170550 /nfs/dbraw/zinc/17/05/50/176170550.db2.gz RVRWYYPNTDCZFL-CYBMUJFWSA-N 2 1 240.391 2.020 10 0 BEAEMP C[C@@H]1CC[N@@H+](Cc2occc2C[NH2+]C2CC2)C1 ZINC000052484376 176178890 /nfs/dbraw/zinc/17/88/90/176178890.db2.gz MTWCQXHSZYEZQZ-LLVKDONJSA-N 2 1 234.343 2.373 10 0 BEAEMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1CC1CCCC1 ZINC000042427487 176223970 /nfs/dbraw/zinc/22/39/70/176223970.db2.gz PPPDKNRTKUJMCH-DGCLKSJQSA-N 2 1 210.365 2.236 10 0 BEAEMP C[C@@H]1CC[C@H]([NH3+])[C@@H](C)[N@@H+]1Cc1ccccc1 ZINC000169616765 176228711 /nfs/dbraw/zinc/22/87/11/176228711.db2.gz ULXWOSFIBHNQLH-BZPMIXESSA-N 2 1 218.344 2.387 10 0 BEAEMP C[C@@H]1CC[C@H]([NH3+])[C@@H](C)[N@H+]1Cc1ccccc1 ZINC000169616765 176228713 /nfs/dbraw/zinc/22/87/13/176228713.db2.gz ULXWOSFIBHNQLH-BZPMIXESSA-N 2 1 218.344 2.387 10 0 BEAEMP C[C@@H]1C[NH2+]CCC[N@@H+](CCc2ccccc2)C1 ZINC000049664779 176323871 /nfs/dbraw/zinc/32/38/71/176323871.db2.gz CGPAJNUBNKCANU-CQSZACIVSA-N 2 1 232.371 2.161 10 0 BEAEMP C[C@H](c1cccc(O)c1)[N@H+](C)CCC[NH+](C)C ZINC000168105114 177036272 /nfs/dbraw/zinc/03/62/72/177036272.db2.gz NHOPJOFSAYRHPZ-GFCCVEGCSA-N 2 1 236.359 2.337 10 0 BEAEMP C[C@H](c1cccc(O)c1)[N@@H+](C)CCC[NH+](C)C ZINC000168105114 177036274 /nfs/dbraw/zinc/03/62/74/177036274.db2.gz NHOPJOFSAYRHPZ-GFCCVEGCSA-N 2 1 236.359 2.337 10 0 BEAEMP C[C@H]1CCCC[N@H+]1CCC[NH2+]C1CCC1 ZINC000044480013 177075020 /nfs/dbraw/zinc/07/50/20/177075020.db2.gz FROZWIGFEPQNPG-LBPRGKRZSA-N 2 1 210.365 2.393 10 0 BEAEMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH3+])o1 ZINC000052378728 177077812 /nfs/dbraw/zinc/07/78/12/177077812.db2.gz DWMHOKLAUNIGJR-JTQLQIEISA-N 2 1 208.305 2.113 10 0 BEAEMP C[C@@H]1[C@@H](C)CCC[N@@H+]1C1CCC([NH3+])CC1 ZINC000055144676 177096619 /nfs/dbraw/zinc/09/66/19/177096619.db2.gz LVZBVVSRPGNKFV-ZFDZMSFRSA-N 2 1 210.365 2.377 10 0 BEAEMP C[C@H]1CCC[N@H+]1Cc1ccc(C[NH3+])cc1 ZINC000037910044 177111051 /nfs/dbraw/zinc/11/10/51/177111051.db2.gz KFZSYVRGFMGCJC-NSHDSACASA-N 2 1 204.317 2.130 10 0 BEAEMP C[C@H]1CCC[N@H+]1[C@@H](CN)c1cccs1 ZINC000037910260 177111969 /nfs/dbraw/zinc/11/19/69/177111969.db2.gz XROIELXLESQYES-UWVGGRQHSA-N 2 1 210.346 2.232 10 0 BEAEMP C[C@H]1CCCN1[C@@H](C[NH3+])c1cccs1 ZINC000037910260 177111970 /nfs/dbraw/zinc/11/19/70/177111970.db2.gz XROIELXLESQYES-UWVGGRQHSA-N 2 1 210.346 2.232 10 0 BEAEMP C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1cccnc1C(N)=[NH2+] ZINC000061657858 177117351 /nfs/dbraw/zinc/11/73/51/177117351.db2.gz CXIWKWIZBDVULW-PHIMTYICSA-N 2 1 246.358 2.129 10 0 BEAEMP C[C@@H]1CC[N@@H+](C2CCCC2)CC[C@H](C)[NH2+]1 ZINC000049664894 177157435 /nfs/dbraw/zinc/15/74/35/177157435.db2.gz CEESMZWRVLGDIL-TXEJJXNPSA-N 2 1 210.365 2.391 10 0 BEAEMP C[C@H]1CC[N@@H+](CC[C@H]([NH3+])c2ccccc2)C1 ZINC000040725284 177160666 /nfs/dbraw/zinc/16/06/66/177160666.db2.gz UCOACPUCKCYKAV-JSGCOSHPSA-N 2 1 218.344 2.418 10 0 BEAEMP C[C@H]1CC[N@@H+](C[C@@H](C[NH3+])c2ccccc2)C1 ZINC000040717077 177162397 /nfs/dbraw/zinc/16/23/97/177162397.db2.gz HBRZEMCNMJPMIL-GXTWGEPZSA-N 2 1 218.344 2.071 10 0 BEAEMP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1ccsc1 ZINC000042427466 177200552 /nfs/dbraw/zinc/20/05/52/177200552.db2.gz DPFOMVJJLYPKFN-WDEREUQCSA-N 2 1 224.373 2.307 10 0 BEAEMP C[C@H]1C[N@H+](CC[C@@H]2CCCC[NH+]2C)CCS1 ZINC000336467905 177253855 /nfs/dbraw/zinc/25/38/55/177253855.db2.gz UKGXMDKELSLFON-STQMWFEESA-N 2 1 242.432 2.298 10 0 BEAEMP C[C@H]1C[N@@H+](CC[C@@H]2CCCC[NH+]2C)CCS1 ZINC000336467905 177253857 /nfs/dbraw/zinc/25/38/57/177253857.db2.gz UKGXMDKELSLFON-STQMWFEESA-N 2 1 242.432 2.298 10 0 BEAEMP C[C@H]1C[NH+](CC[C@@H]2CCCC[N@@H+]2C)CCS1 ZINC000336467905 177253859 /nfs/dbraw/zinc/25/38/59/177253859.db2.gz UKGXMDKELSLFON-STQMWFEESA-N 2 1 242.432 2.298 10 0 BEAEMP C[C@H]1C[NH+](CC[C@@H]2CCCC[N@H+]2C)CCS1 ZINC000336467905 177253861 /nfs/dbraw/zinc/25/38/61/177253861.db2.gz UKGXMDKELSLFON-STQMWFEESA-N 2 1 242.432 2.298 10 0 BEAEMP C[C@@H](CCC[NH2+]C1CC1)[N@H+]1CCCO[C@@H](C)C1 ZINC000061935650 177274156 /nfs/dbraw/zinc/27/41/56/177274156.db2.gz GKCRVXGIXHVESL-STQMWFEESA-N 2 1 240.391 2.018 10 0 BEAEMP C[C@@H](CCC[NH2+]C1CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000052380695 177274365 /nfs/dbraw/zinc/27/43/65/177274365.db2.gz HRDHGAZRFYAJFG-RWMBFGLXSA-N 2 1 240.391 2.016 10 0 BEAEMP C[C@H]1C[NH2+]CCC[N@@H+](CC2CCCC2)C1 ZINC000049666021 177281203 /nfs/dbraw/zinc/28/12/03/177281203.db2.gz RBUMIXUHBORKJA-LBPRGKRZSA-N 2 1 210.365 2.108 10 0 BEAEMP C[C@@H]1C[C@H](C)[C@@H]([NH3+])C[N@H+]1Cc1ccccc1 ZINC000068593026 177319079 /nfs/dbraw/zinc/31/90/79/177319079.db2.gz JZDOXTQRTHHGOG-SCRDCRAPSA-N 2 1 218.344 2.244 10 0 BEAEMP C[C@@H]1C[C@H](C)[C@@H]([NH3+])C[N@@H+]1Cc1ccccc1 ZINC000068593026 177319080 /nfs/dbraw/zinc/31/90/80/177319080.db2.gz JZDOXTQRTHHGOG-SCRDCRAPSA-N 2 1 218.344 2.244 10 0 BEAEMP C[C@H]1C[C@H]([NH+](C)CCc2ccccn2)CC[N@@H+]1C ZINC000123143782 177364657 /nfs/dbraw/zinc/36/46/57/177364657.db2.gz PPMXLCSVSASEKN-DZGCQCFKSA-N 2 1 247.386 2.039 10 0 BEAEMP C[C@H]1C[C@H]([NH+](C)CCc2ccccn2)CC[N@H+]1C ZINC000123143782 177364658 /nfs/dbraw/zinc/36/46/58/177364658.db2.gz PPMXLCSVSASEKN-DZGCQCFKSA-N 2 1 247.386 2.039 10 0 BEAEMP C[C@H]1C[C@H]([N@H+](C)CCc2ccccn2)CC[NH+]1C ZINC000123143782 177364659 /nfs/dbraw/zinc/36/46/59/177364659.db2.gz PPMXLCSVSASEKN-DZGCQCFKSA-N 2 1 247.386 2.039 10 0 BEAEMP C[C@H]1C[C@H]([N@@H+](C)CCc2ccccn2)CC[NH+]1C ZINC000123143782 177364660 /nfs/dbraw/zinc/36/46/60/177364660.db2.gz PPMXLCSVSASEKN-DZGCQCFKSA-N 2 1 247.386 2.039 10 0 BEAEMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCc1cccc(F)c1 ZINC000049711361 177364832 /nfs/dbraw/zinc/36/48/32/177364832.db2.gz XGKLTGZLTJZDDX-SMDDNHRTSA-N 2 1 236.334 2.180 10 0 BEAEMP C[C@@H]1CCC[C@@H]1[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000309052360 229314625 /nfs/dbraw/zinc/31/46/25/229314625.db2.gz QLDSRBZBLIBIDG-FVCCEPFGSA-N 2 1 210.365 2.092 10 0 BEAEMP C[N@@H+](C[C@@H]1CCCCC1(F)F)C1CC([NH3+])C1 ZINC000384997066 487759347 /nfs/dbraw/zinc/75/93/47/487759347.db2.gz LLRZGPFYRMDRKZ-WHXUTIOJSA-N 2 1 232.318 2.233 10 0 BEAEMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]([NH3+])[C@H]1C ZINC000238854306 525010395 /nfs/dbraw/zinc/01/03/95/525010395.db2.gz NMWRIHNNQCIKCJ-DYEKYZERSA-N 2 1 218.344 2.102 10 0 BEAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]([NH3+])[C@H]1C ZINC000238854306 525010406 /nfs/dbraw/zinc/01/04/06/525010406.db2.gz NMWRIHNNQCIKCJ-DYEKYZERSA-N 2 1 218.344 2.102 10 0 BEAEMP C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000396709924 487531917 /nfs/dbraw/zinc/53/19/17/487531917.db2.gz OXJMJALYXUSVLY-VOAKCMCISA-N 2 1 210.365 2.295 10 0 BEAEMP C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000396709916 487532129 /nfs/dbraw/zinc/53/21/29/487532129.db2.gz OXJMJALYXUSVLY-FVCCEPFGSA-N 2 1 210.365 2.295 10 0 BEAEMP CC[C@H](CC(F)F)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000662266586 487503906 /nfs/dbraw/zinc/50/39/06/487503906.db2.gz NIONPDIVYPISIM-KXNHARMFSA-N 2 1 246.345 2.337 10 0 BEAEMP C[C@@H]1CCC[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000123909803 491121158 /nfs/dbraw/zinc/12/11/58/491121158.db2.gz KAPBVEGJVGKBKW-GFCCVEGCSA-N 2 1 230.355 2.317 10 0 BEAEMP CC(C)C[N@H+]1CCC[C@]12CC[C@H](C)[NH2+]C2 ZINC000757124092 582499234 /nfs/dbraw/zinc/49/92/34/582499234.db2.gz BUOKJDINPYODGE-QWHCGFSZSA-N 2 1 210.365 2.249 10 0 BEAEMP C[C@H](C1CCC1)[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC000757126659 582501608 /nfs/dbraw/zinc/50/16/08/582501608.db2.gz GGLPYBCRSVCGPH-OCCSQVGLSA-N 2 1 222.376 2.393 10 0 BEAEMP Fc1cc(Cl)ccc1C[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000398385466 518195922 /nfs/dbraw/zinc/19/59/22/518195922.db2.gz WMFHLYNKRBMYOW-SECBINFHSA-N 2 1 242.725 2.178 10 0 BEAEMP CCC[N@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000238856334 519848363 /nfs/dbraw/zinc/84/83/63/519848363.db2.gz VQBZYKSDBIFFKV-STQMWFEESA-N 2 1 210.365 2.251 10 0 BEAEMP C[C@@H]1[C@H](C)C[N@H+](Cc2ccccc2)[C@H](C)[C@H]1[NH3+] ZINC000238854020 525681057 /nfs/dbraw/zinc/68/10/57/525681057.db2.gz MCYADVOUXKSBRH-BHPKHCPMSA-N 2 1 232.371 2.490 10 0 BEAEMP C[C@@H]1[C@H](C)C[N@@H+](Cc2ccccc2)[C@H](C)[C@H]1[NH3+] ZINC000238854020 525681065 /nfs/dbraw/zinc/68/10/65/525681065.db2.gz MCYADVOUXKSBRH-BHPKHCPMSA-N 2 1 232.371 2.490 10 0 BEAEMP CCC[C@H](CC)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000309030791 528091532 /nfs/dbraw/zinc/09/15/32/528091532.db2.gz BKMHUSNNYKKORA-FRRDWIJNSA-N 2 1 212.381 2.482 10 0 BEAEMP C[C@]1([NH3+])C[NH2+]C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000725262839 538089334 /nfs/dbraw/zinc/08/93/34/538089334.db2.gz YGOWQTOGQJSRMH-MNOVXSKESA-N 2 1 244.260 2.110 10 0 BEAEMP CC(C)C[N@H+]1CCC[C@]12CCC[NH2+][C@@H]2C ZINC000757124302 582499545 /nfs/dbraw/zinc/49/95/45/582499545.db2.gz CFOLKHFBJXSDBV-OLZOCXBDSA-N 2 1 210.365 2.249 10 0 BEAEMP CCOCCC[N@@H+]1CCC[C@@]12CC[C@@H](C)[NH2+]C2 ZINC000757125321 582500263 /nfs/dbraw/zinc/50/02/63/582500263.db2.gz DJJZTJPTLJMUDT-KGLIPLIRSA-N 2 1 240.391 2.020 10 0 BEAEMP CCOCCC[N@H+]1CCC[C@@]12CC[C@@H](C)[NH2+]C2 ZINC000757125321 582500267 /nfs/dbraw/zinc/50/02/67/582500267.db2.gz DJJZTJPTLJMUDT-KGLIPLIRSA-N 2 1 240.391 2.020 10 0 BEAEMP C[C@H](C1CCC1)[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC000757126662 582501158 /nfs/dbraw/zinc/50/11/58/582501158.db2.gz GGLPYBCRSVCGPH-TZMCWYRMSA-N 2 1 222.376 2.393 10 0 BEAEMP C[C@H](C1CC1)[N@H+]1CCC[C@@]12CC[C@@H](C)[NH2+]C2 ZINC000757126374 582501384 /nfs/dbraw/zinc/50/13/84/582501384.db2.gz FLJVLYOOVHKRJL-BZPMIXESSA-N 2 1 222.376 2.391 10 0 BEAEMP COCC[C@H](C)[N@H+]1CCC[C@]12CC[C@H](C)[NH2+]C2 ZINC000757129535 582504222 /nfs/dbraw/zinc/50/42/22/582504222.db2.gz LVPKSLOZKOSVLV-MELADBBJSA-N 2 1 240.391 2.018 10 0 BEAEMP C[C@H]1C[C@H](C)OC2(CC(C)(C)[NH2+]C(C)(C)C2)[NH2+]1 ZINC000757144979 582526399 /nfs/dbraw/zinc/52/63/99/582526399.db2.gz HMTXQMSQAKHVJY-QWRGUYRKSA-N 2 1 240.391 2.410 10 0 BEAEMP Cc1ccc(C)c([C@H]2C[C@H]([NH3+])CC[N@@H+]2C)c1 ZINC000211432202 583441988 /nfs/dbraw/zinc/44/19/88/583441988.db2.gz ITKFKCMRZDXVOC-TZMCWYRMSA-N 2 1 218.344 2.397 10 0 BEAEMP CCOCCC[N@H+]1CCC[C@]12CCC[NH2+][C@H]2C ZINC000757123983 586425973 /nfs/dbraw/zinc/42/59/73/586425973.db2.gz BELULRICDQELPM-KBPBESRZSA-N 2 1 240.391 2.020 10 0 BEAEMP C[C@H]1CC[C@@]2(CCC[N@H+]2CC2CC2)C[NH2+]1 ZINC000757129704 586426195 /nfs/dbraw/zinc/42/61/95/586426195.db2.gz MUVWJIRIDRPGMR-AAEUAGOBSA-N 2 1 208.349 2.003 10 0 BEAEMP C[C@@H](C[N@@H+]1CC[C@@H]1C[NH3+])C1CCCCC1 ZINC000757146434 586428717 /nfs/dbraw/zinc/42/87/17/586428717.db2.gz QMVSFERFCUOUOF-WCQYABFASA-N 2 1 210.365 2.236 10 0 BEAEMP C[C@@H](C[N@H+]1CC[C@@H]1C[NH3+])C1CCCCC1 ZINC000757146434 586428719 /nfs/dbraw/zinc/42/87/19/586428719.db2.gz QMVSFERFCUOUOF-WCQYABFASA-N 2 1 210.365 2.236 10 0 BEAEMP CC1(c2ccc([C@@H]3CC[NH2+]C[C@@H]3[NH3+])cc2)CC1 ZINC000757213012 586439679 /nfs/dbraw/zinc/43/96/79/586439679.db2.gz KRUKZVWMEUXDGR-KBPBESRZSA-N 2 1 230.355 2.142 10 0 BEAEMP [NH3+]C[C@@H]1C[C@@H](c2cscc2C(F)F)CC[NH2+]1 ZINC000757234382 586443400 /nfs/dbraw/zinc/44/34/00/586443400.db2.gz KMIGZLYMDDDCPL-YUMQZZPRSA-N 2 1 246.326 2.480 10 0 BEAEMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000111273483 637097339 /nfs/dbraw/zinc/09/73/39/637097339.db2.gz PKWWZGNWRHWLPC-KBMXLJTQSA-N 2 1 244.382 2.331 10 0 BEAEMP C[N@@H+](C[C@@H]1CCCCO1)C1(C[NH3+])CCCCC1 ZINC000042463791 637263629 /nfs/dbraw/zinc/26/36/29/637263629.db2.gz CJTDMYGUMIABKY-ZDUSSCGKSA-N 2 1 240.391 2.149 10 0 BEAEMP CC[C@@H]1C[C@H]1C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000723079601 711499632 /nfs/dbraw/zinc/49/96/32/711499632.db2.gz NQGJVXGMOAWURN-FRRDWIJNSA-N 2 1 210.365 2.106 10 0 BEAEMP Cc1nc(C[N@H+](C)CCCCCC[NH3+])cs1 ZINC000044609929 641605364 /nfs/dbraw/zinc/60/53/64/641605364.db2.gz HGQQUTUKBNCZAH-UHFFFAOYSA-N 2 1 241.404 2.402 10 0 BEAEMP Cc1nc(C[N@@H+](C)CCCCCC[NH3+])cs1 ZINC000044609929 641605368 /nfs/dbraw/zinc/60/53/68/641605368.db2.gz HGQQUTUKBNCZAH-UHFFFAOYSA-N 2 1 241.404 2.402 10 0 BEAEMP C[C@@H]1CCOC2(CC(C)(C)[NH2+]C(C)(C)C2)[NH2+]1 ZINC000757149590 643335956 /nfs/dbraw/zinc/33/59/56/643335956.db2.gz PPVQTWOTNOUAIH-SNVBAGLBSA-N 2 1 226.364 2.022 10 0 BEAEMP C[NH2+]C[C@@H]1CC[N@H+]([C@@H]2C[C@H]2c2ccccc2)C1 ZINC000250770550 644779380 /nfs/dbraw/zinc/77/93/80/644779380.db2.gz UTUQLICAIZRQDS-AEGPPILISA-N 2 1 230.355 2.084 10 0 BEAEMP C[C@@H]1C[C@@H](c2cccc3cc[nH]c32)[NH2+]C[C@H]1[NH3+] ZINC000757214070 644864401 /nfs/dbraw/zinc/86/44/01/644864401.db2.gz MFSVBNSPLIDWHG-WQAKAFBOSA-N 2 1 229.327 2.166 10 0 BEAEMP Cc1cnc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)c(C)c1 ZINC000724084989 710736457 /nfs/dbraw/zinc/73/64/57/710736457.db2.gz GSWBKRIFIQWGCF-UONOGXRCSA-N 2 1 247.386 2.176 10 0 BEAEMP Cc1cc(C)nc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)c1 ZINC000723845285 711538843 /nfs/dbraw/zinc/53/88/43/711538843.db2.gz GUMBKNKSYWBIDT-OAHLLOKOSA-N 2 1 247.386 2.272 10 0 BEAEMP Cc1cc(C)nc(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)c1 ZINC000723845285 711538845 /nfs/dbraw/zinc/53/88/45/711538845.db2.gz GUMBKNKSYWBIDT-OAHLLOKOSA-N 2 1 247.386 2.272 10 0 BEAEMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCCc2ccccc2C1 ZINC000111273585 711803250 /nfs/dbraw/zinc/80/32/50/711803250.db2.gz XIBHCVOESWLMEB-CJNGLKHVSA-N 2 1 244.382 2.290 10 0 BEAEMP CC(C)[C@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000709867370 712230051 /nfs/dbraw/zinc/23/00/51/712230051.db2.gz JCTKZZCBSQGKTR-STQMWFEESA-N 2 1 210.365 2.106 10 0 BEAEMP CCc1cc(NCC[C@@H]2C[NH2+]C[C@H]2C)nc(C)[nH+]1 ZINC000721028543 712887497 /nfs/dbraw/zinc/88/74/97/712887497.db2.gz QJBGXDPTAQEJPJ-ZYHUDNBSSA-N 2 1 248.374 2.005 10 0 BEAEMP CC(C)CC[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000134997746 1168255753 /nfs/dbraw/zinc/25/57/53/1168255753.db2.gz FWRJRPMHJNMMRM-UHFFFAOYSA-N 2 1 221.348 2.283 10 0 BEAEMP c1cc(N[C@H]2CC[N@H+]3CCCC[C@H]23)cc[nH+]1 ZINC000049568931 1171705623 /nfs/dbraw/zinc/70/56/23/1171705623.db2.gz OEWYGVRZCRTKIU-QWHCGFSZSA-N 2 1 217.316 2.120 10 0 BEAEMP CC[N@H+]1CC[C@H]([NH3+])[C@]12C[C@H](C)CC[C@@H]2C ZINC000685954100 538898813 /nfs/dbraw/zinc/89/88/13/538898813.db2.gz LASOZELEFIPBGQ-MROQNXINSA-N 2 1 210.365 2.234 10 0 BEAEMP CC(C)[N@H+]1CC[C@@H]([NH3+])[C@]12CCC[C@@H](C)C2 ZINC000685953117 538897605 /nfs/dbraw/zinc/89/76/05/538897605.db2.gz GEOJHZJSLOOTFB-JHJVBQTASA-N 2 1 210.365 2.377 10 0 BEAEMP CCCc1cccc([C@H]2C[NH2+]C[C@]2(C)[NH3+])c1 ZINC000685965610 538912277 /nfs/dbraw/zinc/91/22/77/538912277.db2.gz LDPYQMUJUQIXJD-KGLIPLIRSA-N 2 1 218.344 2.043 10 0 BEAEMP CCC(CC)(C[NH2+]C)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000051209749 168325189 /nfs/dbraw/zinc/32/51/89/168325189.db2.gz GFSRYYSLOCBPTD-CHWSQXEVSA-N 2 1 242.407 2.121 10 0 BEAEMP CCC(CC)(C[NH2+]C)C[N@H+]1CCCO[C@H](C)C1 ZINC000061934231 168325372 /nfs/dbraw/zinc/32/53/72/168325372.db2.gz MMLJKOXVEYPYSH-CYBMUJFWSA-N 2 1 242.407 2.123 10 0 BEAEMP Cc1cc(N[C@]2(C[NH3+])CCC[C@@H](C)C2)nc(C)[nH+]1 ZINC000104303454 178192009 /nfs/dbraw/zinc/19/20/09/178192009.db2.gz WGDAOKKFEVXHHK-QMTHXVAHSA-N 2 1 248.374 2.413 10 0 BEAEMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1C[C@H]1CCCCC1(F)F ZINC000381590219 398253949 /nfs/dbraw/zinc/25/39/49/398253949.db2.gz DIRSECRDHRRGFI-IJLUTSLNSA-N 2 1 246.345 2.481 10 0 BEAEMP C[C@]1(C[NH3+])CC[N@@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000381690696 398269534 /nfs/dbraw/zinc/26/95/34/398269534.db2.gz NKWPOQMYGBDPDQ-VXGBXAGGSA-N 2 1 246.345 2.483 10 0 BEAEMP C[NH2+]C[C@H]1CCC[N@@H+]1C[C@@H]1CCCCC1(F)F ZINC000381666544 398268879 /nfs/dbraw/zinc/26/88/79/398268879.db2.gz KNVFGDRCQYPAKX-NWDGAFQWSA-N 2 1 246.345 2.496 10 0 BEAEMP C[NH2+]C[C@H]1CCC[N@H+]1C[C@@H]1CCCCC1(F)F ZINC000381666544 398268883 /nfs/dbraw/zinc/26/88/83/398268883.db2.gz KNVFGDRCQYPAKX-NWDGAFQWSA-N 2 1 246.345 2.496 10 0 BEAEMP C[C@@H]([NH3+])C[C@H](C)Nc1[nH+]c2ccccc2n1C ZINC000320978637 342748275 /nfs/dbraw/zinc/74/82/75/342748275.db2.gz XJSVNWWTSHDEPH-ZJUUUORDSA-N 2 1 232.331 2.111 10 0 BEAEMP C[C@@H](c1ccccc1)[N@H+]1C[C@H](N)C2(CC2)C1 ZINC000145314803 342760839 /nfs/dbraw/zinc/76/08/39/342760839.db2.gz LQXLEBQQOBROTO-AAEUAGOBSA-N 2 1 216.328 2.171 10 0 BEAEMP C[C@@H]1CCC[N@@H+](CCC[NH2+]C2CC2)[C@@H]1C ZINC000050566553 539011091 /nfs/dbraw/zinc/01/10/91/539011091.db2.gz OXFMRIAUDDFZDK-VXGBXAGGSA-N 2 1 210.365 2.249 10 0 BEAEMP CC(C)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000038000166 398335644 /nfs/dbraw/zinc/33/56/44/398335644.db2.gz XHWZSUKNMZALAZ-STQMWFEESA-N 2 1 210.365 2.106 10 0 BEAEMP C[C@@H]1CCC[N@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000211943670 343017162 /nfs/dbraw/zinc/01/71/62/343017162.db2.gz SKFLXHAZRNMENM-GFCCVEGCSA-N 2 1 230.355 2.317 10 0 BEAEMP [NH3+][C@H]1CCCC[C@H]1Nc1[nH]c2ccccc2[nH+]1 ZINC000038050678 343367912 /nfs/dbraw/zinc/36/79/12/343367912.db2.gz QOFLSJOPNUNVRI-VHSXEESVSA-N 2 1 230.315 2.245 10 0 BEAEMP C[C@@H]1[C@H]2C[N@@H+](C)C[C@H]2C[NH+]1Cc1ccccc1 ZINC000409431596 343823842 /nfs/dbraw/zinc/82/38/42/343823842.db2.gz RJPWPILRMFONAL-VHDGCEQUSA-N 2 1 230.355 2.069 10 0 BEAEMP C[C@@H]1[C@H]2C[NH+](C)C[C@H]2C[N@@H+]1Cc1ccccc1 ZINC000409431596 343823845 /nfs/dbraw/zinc/82/38/45/343823845.db2.gz RJPWPILRMFONAL-VHDGCEQUSA-N 2 1 230.355 2.069 10 0 BEAEMP C[C@@H]1[C@H]2C[NH+](C)C[C@H]2C[N@H+]1Cc1ccccc1 ZINC000409431596 343823848 /nfs/dbraw/zinc/82/38/48/343823848.db2.gz RJPWPILRMFONAL-VHDGCEQUSA-N 2 1 230.355 2.069 10 0 BEAEMP CC[C@H](C)C[NH2+]C[C@H](C)[NH+](CC)CC ZINC000133521869 344319231 /nfs/dbraw/zinc/31/92/31/344319231.db2.gz WGTJHKIPXMENRT-RYUDHWBXSA-N 2 1 200.370 2.352 10 0 BEAEMP C[NH2+]Cc1ccc(C[N@H+]2CCC[C@H](OC)C2)cc1 ZINC000117575466 344747619 /nfs/dbraw/zinc/74/76/19/344747619.db2.gz JNAGYJJPVVQTEO-HNNXBMFYSA-N 2 1 248.370 2.017 10 0 BEAEMP Cn1cc[nH+]c1CC1CC[NH+](CC2CC2)CC1 ZINC000156211638 345139094 /nfs/dbraw/zinc/13/90/94/345139094.db2.gz DSQNUCBARZGMJY-UHFFFAOYSA-N 2 1 233.359 2.085 10 0 BEAEMP Cc1cc(F)ccc1C[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000634999664 345200018 /nfs/dbraw/zinc/20/00/18/345200018.db2.gz XOCUEKZOXISMEW-AAEUAGOBSA-N 2 1 236.334 2.161 10 0 BEAEMP Cc1ccc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)o1 ZINC000635010949 345212780 /nfs/dbraw/zinc/21/27/80/345212780.db2.gz WTIOIFBRYAAMCN-NEPJUHHUSA-N 2 1 222.332 2.066 10 0 BEAEMP [NH3+]CCCOc1cccc(C[N@@H+]2CC=CCC2)c1 ZINC000034224153 345819491 /nfs/dbraw/zinc/81/94/91/345819491.db2.gz KZHFWNYETNRKCY-UHFFFAOYSA-N 2 1 246.354 2.176 10 0 BEAEMP Cc1cccc(C[N@H+](C)C[C@@]2(C)CC[NH2+]C2)c1 ZINC000062911516 179067981 /nfs/dbraw/zinc/06/79/81/179067981.db2.gz LSKQNTSSSHNNEI-HNNXBMFYSA-N 2 1 232.371 2.426 10 0 BEAEMP Cc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH3+])cc1Cl ZINC000669379866 537981732 /nfs/dbraw/zinc/98/17/32/537981732.db2.gz HSCILINCTOPUEV-JQWIXIFHSA-N 2 1 224.735 2.053 10 0 BEAEMP Cc1ccc([C@H]2CC[NH2+]C[C@@H]2[NH3+])cc1Cl ZINC000669379867 537982825 /nfs/dbraw/zinc/98/28/25/537982825.db2.gz HSCILINCTOPUEV-PWSUYJOCSA-N 2 1 224.735 2.053 10 0 BEAEMP Cc1[nH+]ccn1[C@@H](c1cccc(C)c1)[C@@H](C)[NH3+] ZINC000042967753 179188633 /nfs/dbraw/zinc/18/86/33/179188633.db2.gz MFJMNCYZUBVVNS-BXUZGUMPSA-N 2 1 229.327 2.437 10 0 BEAEMP Cc1cccc([C@@H]2[C@@H](C[NH3+])CCC[N@@H+]2C)c1 ZINC000069796290 179191892 /nfs/dbraw/zinc/19/18/92/179191892.db2.gz ZBVPUWCLZURXGD-ZIAGYGMSSA-N 2 1 218.344 2.337 10 0 BEAEMP Cc1[nH+]ccn1[C@H](c1cccc(C)c1)[C@@H](C)[NH3+] ZINC000042967754 179203051 /nfs/dbraw/zinc/20/30/51/179203051.db2.gz MFJMNCYZUBVVNS-RISCZKNCSA-N 2 1 229.327 2.437 10 0 BEAEMP Cc1[nH+]ccn1[C@H](c1cccc(C)c1)[C@H](C)[NH3+] ZINC000042967756 179203347 /nfs/dbraw/zinc/20/33/47/179203347.db2.gz MFJMNCYZUBVVNS-FZMZJTMJSA-N 2 1 229.327 2.437 10 0 BEAEMP Cc1ccccc1C[N@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000062911522 179269290 /nfs/dbraw/zinc/26/92/90/179269290.db2.gz TXYBUXJYOSNXJB-HNNXBMFYSA-N 2 1 232.371 2.426 10 0 BEAEMP Cc1ccccc1C[N@H+]1CCC[NH2+][C@@H](C)C1 ZINC000062609093 179273387 /nfs/dbraw/zinc/27/33/87/179273387.db2.gz AJGMAEBBERGERR-ZDUSSCGKSA-N 2 1 218.344 2.179 10 0 BEAEMP Cc1ccccc1C[N@@H+]1CCC[NH2+]C[C@@H](C)C1 ZINC000049666759 179274838 /nfs/dbraw/zinc/27/48/38/179274838.db2.gz RWKCPYUNAWJFMF-CYBMUJFWSA-N 2 1 232.371 2.426 10 0 BEAEMP Cc1ccccc1OCC[C@@](C)(C[NH3+])[NH+](C)C ZINC000019667652 179312134 /nfs/dbraw/zinc/31/21/34/179312134.db2.gz NSKBECMSDMWXOH-AWEZNQCLSA-N 2 1 236.359 2.043 10 0 BEAEMP CC1CC[NH+](C[C@@H]2C[C@@H](C)C[C@@H](C)[NH2+]2)CC1 ZINC000669381536 537995118 /nfs/dbraw/zinc/99/51/18/537995118.db2.gz NKOBGUZTAKNETR-MJBXVCDLSA-N 2 1 224.392 2.495 10 0 BEAEMP CC(C)=CC[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000123305889 187388792 /nfs/dbraw/zinc/38/87/92/187388792.db2.gz DJBZASGWBJEDBN-QWHCGFSZSA-N 2 1 210.365 2.367 10 0 BEAEMP CC(C)=CC[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000123305889 187388794 /nfs/dbraw/zinc/38/87/94/187388794.db2.gz DJBZASGWBJEDBN-QWHCGFSZSA-N 2 1 210.365 2.367 10 0 BEAEMP CC(C)=CC[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123305889 187388795 /nfs/dbraw/zinc/38/87/95/187388795.db2.gz DJBZASGWBJEDBN-QWHCGFSZSA-N 2 1 210.365 2.367 10 0 BEAEMP CC(C)=CC[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123305889 187388797 /nfs/dbraw/zinc/38/87/97/187388797.db2.gz DJBZASGWBJEDBN-QWHCGFSZSA-N 2 1 210.365 2.367 10 0 BEAEMP Cc1ccc[nH+]c1N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000051041290 179395643 /nfs/dbraw/zinc/39/56/43/179395643.db2.gz SANSQQDBIASHKE-VXGBXAGGSA-N 2 1 219.332 2.190 10 0 BEAEMP Cc1[nH+]ccn1[C@@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000023067758 180272364 /nfs/dbraw/zinc/27/23/64/180272364.db2.gz JKRGFVMYJNGOCQ-GXFFZTMASA-N 2 1 215.300 2.453 10 0 BEAEMP Cc1[nH+]ccn1[C@@H](c1ccccc1F)[C@H](C)[NH3+] ZINC000043046124 180272399 /nfs/dbraw/zinc/27/23/99/180272399.db2.gz UMBZKDATENRKFE-TVQRCGJNSA-N 2 1 233.290 2.267 10 0 BEAEMP Cc1[nH+]ccn1[C@@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000042902725 180271235 /nfs/dbraw/zinc/27/12/35/180271235.db2.gz CSWBAQOTXUKFIB-ZWNOBZJWSA-N 2 1 215.300 2.128 10 0 BEAEMP Cc1[nH+]ccn1[C@@H](c1ccsc1)[C@@H](C)[NH3+] ZINC000043124116 180271669 /nfs/dbraw/zinc/27/16/69/180271669.db2.gz GNFCWGAHTBUQKH-LDYMZIIASA-N 2 1 221.329 2.190 10 0 BEAEMP Cc1[nH+]ccn1Cc1occc1C[NH2+]C(C)C ZINC000052576068 180271799 /nfs/dbraw/zinc/27/17/99/180271799.db2.gz NNZPMQJPKQGRKZ-UHFFFAOYSA-N 2 1 233.315 2.331 10 0 BEAEMP Cc1[nH+]cn(C[C@H]([NH3+])c2ccccc2)c1C ZINC000051926527 180287602 /nfs/dbraw/zinc/28/76/02/180287602.db2.gz ZDZUQKVFUIKVQT-ZDUSSCGKSA-N 2 1 215.300 2.200 10 0 BEAEMP C[C@@]1([NH3+])C[NH2+]C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000725262841 538089787 /nfs/dbraw/zinc/08/97/87/538089787.db2.gz YGOWQTOGQJSRMH-WDEREUQCSA-N 2 1 244.260 2.110 10 0 BEAEMP Cc1[nH+]cn([C@@H](C[NH3+])c2cccs2)c1C ZINC000051925853 180289443 /nfs/dbraw/zinc/28/94/43/180289443.db2.gz INAGVPMQIPVPGW-JTQLQIEISA-N 2 1 221.329 2.110 10 0 BEAEMP Cc1[nH+]cn([C@H]2Cc3ccccc3[C@@H]2[NH3+])c1C ZINC000051926450 180289689 /nfs/dbraw/zinc/28/96/89/180289689.db2.gz LDMPNTXERQRTJD-KBPBESRZSA-N 2 1 227.311 2.297 10 0 BEAEMP CC[N@H+]1CCC[C@@H](c2ccc(N)nc2)CC1 ZINC000616610456 350805561 /nfs/dbraw/zinc/80/55/61/350805561.db2.gz JYQCRPOKRNNWGJ-LLVKDONJSA-N 2 1 219.332 2.084 10 0 BEAEMP C[N@@H+](Cc1ccoc1C[NH3+])Cc1ccccc1 ZINC000052417462 350991910 /nfs/dbraw/zinc/99/19/10/350991910.db2.gz PAOXYFQZRFULOR-UHFFFAOYSA-N 2 1 230.311 2.370 10 0 BEAEMP CC[N@H+]1CCC[C@H](Nc2ccccn2)CC1 ZINC000616630102 351102019 /nfs/dbraw/zinc/10/20/19/351102019.db2.gz WBUOHZJIUUHVSW-LBPRGKRZSA-N 2 1 219.332 2.368 10 0 BEAEMP C[C@H]1C/C(=C/C[NH3+])C[N@H+]1Cc1ccccc1 ZINC000307047408 351447034 /nfs/dbraw/zinc/44/70/34/351447034.db2.gz FIEGIEYTXGRTDN-OBTCNRAFSA-N 2 1 216.328 2.166 10 0 BEAEMP C[C@]1([NH3+])C[NH2+]C[C@@H]1c1cccc(CC2CCC2)c1 ZINC000725268222 538100388 /nfs/dbraw/zinc/10/03/88/538100388.db2.gz PXVMCDZZNAUMHM-CVEARBPZSA-N 2 1 244.382 2.433 10 0 BEAEMP CC(=[NH2+])N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000307219237 351619773 /nfs/dbraw/zinc/61/97/73/351619773.db2.gz WCCMICPLNIDCQC-FZMZJTMJSA-N 2 1 231.343 2.236 10 0 BEAEMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1CCCC1(C)C ZINC000396724957 323656128 /nfs/dbraw/zinc/65/61/28/323656128.db2.gz VKNPJJZXFFWUFY-SRVKXCTJSA-N 2 1 210.365 2.295 10 0 BEAEMP C[C@H]1CCC[N@H+](C2CCC3(C[C@@H]3[NH3+])CC2)C1 ZINC000725270478 538102092 /nfs/dbraw/zinc/10/20/92/538102092.db2.gz OJXCWMMYSHDLCO-AHPWVWPOSA-N 2 1 222.376 2.378 10 0 BEAEMP C[C@H]1CCC[N@H+](C2CCC3(C[C@H]3[NH3+])CC2)C1 ZINC000725270480 538102313 /nfs/dbraw/zinc/10/23/13/538102313.db2.gz OJXCWMMYSHDLCO-RJZJGCCBSA-N 2 1 222.376 2.378 10 0 BEAEMP CC[N@@H+](C(C)C)C1CCC2(C[C@@H]2[NH3+])CC1 ZINC000725271048 538103212 /nfs/dbraw/zinc/10/32/12/538103212.db2.gz VPKOAMZXOBVURW-CPCZMJQVSA-N 2 1 210.365 2.377 10 0 BEAEMP CCCc1ccc([C@H]2CC[NH2+]C[C@H]2[NH3+])cc1 ZINC000725272760 538104067 /nfs/dbraw/zinc/10/40/67/538104067.db2.gz UXVXUJLMGUSDCS-ZIAGYGMSSA-N 2 1 218.344 2.043 10 0 BEAEMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@]1(C)C[NH3+] ZINC000307406149 352581300 /nfs/dbraw/zinc/58/13/00/352581300.db2.gz DCDLJOKASDKHAU-GXTWGEPZSA-N 2 1 218.344 2.103 10 0 BEAEMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@]1(C)C[NH3+] ZINC000307406150 352581317 /nfs/dbraw/zinc/58/13/17/352581317.db2.gz DCDLJOKASDKHAU-JSGCOSHPSA-N 2 1 218.344 2.103 10 0 BEAEMP CC(=[NH2+])N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000307520127 352633458 /nfs/dbraw/zinc/63/34/58/352633458.db2.gz PQQYOQSQTYORES-BXUZGUMPSA-N 2 1 231.343 2.236 10 0 BEAEMP CC(=[NH2+])N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000307520129 352633803 /nfs/dbraw/zinc/63/38/03/352633803.db2.gz PQQYOQSQTYORES-RISCZKNCSA-N 2 1 231.343 2.236 10 0 BEAEMP Cc1ccc(F)c([C@H]([NH3+])CC[NH3+])c1Cl ZINC000307087830 353054039 /nfs/dbraw/zinc/05/40/39/353054039.db2.gz LSEXUWQPQPILKW-MRVPVSSYSA-N 2 1 216.687 2.136 10 0 BEAEMP CCCO[C@H]1CCC[N@@H+]([C@H](C[NH3+])CC(C)C)C1 ZINC000042421495 188119779 /nfs/dbraw/zinc/11/97/79/188119779.db2.gz KBTIYLPMRFXVON-KBPBESRZSA-N 2 1 242.407 2.251 10 0 BEAEMP CCCO[C@H]1CCC[N@H+]([C@H](C[NH3+])CC(C)C)C1 ZINC000042421495 188119781 /nfs/dbraw/zinc/11/97/81/188119781.db2.gz KBTIYLPMRFXVON-KBPBESRZSA-N 2 1 242.407 2.251 10 0 BEAEMP COc1ccc(C[N@@H+](C)CCCCC(N)=[NH2+])cc1 ZINC000049579782 188125347 /nfs/dbraw/zinc/12/53/47/188125347.db2.gz AMOOLOWSAVHGCO-UHFFFAOYSA-N 2 1 249.358 2.233 10 0 BEAEMP C[NH2+][C@@H]1CC[N@@H+](CCc2cccs2)[C@H](C)C1 ZINC000049712301 188125548 /nfs/dbraw/zinc/12/55/48/188125548.db2.gz OXCONWNPOFMHIS-VXGBXAGGSA-N 2 1 238.400 2.363 10 0 BEAEMP C[N@@H+](Cc1ccccc1)[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405532274 353796606 /nfs/dbraw/zinc/79/66/06/353796606.db2.gz YMGDCRMGDSALPQ-ZIAGYGMSSA-N 2 1 230.355 2.388 10 0 BEAEMP CC[N@H+]1CC[C@H]([NH3+])C[C@H]1c1cccc(C)c1 ZINC000675055565 538475738 /nfs/dbraw/zinc/47/57/38/538475738.db2.gz VEKJNMBFSFMXOD-KBPBESRZSA-N 2 1 218.344 2.479 10 0 BEAEMP CC(C)CC[NH2+]CC[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000126581484 538534404 /nfs/dbraw/zinc/53/44/04/538534404.db2.gz QESKYQWFYFAFKQ-KBPBESRZSA-N 2 1 224.392 2.354 10 0 BEAEMP CC[C@@]1([NH3+])C[NH2+]C[C@@H]1c1cc(C)cc(C)c1 ZINC000685945922 538887578 /nfs/dbraw/zinc/88/75/78/538887578.db2.gz GECQDGFIQMNVFW-ZIAGYGMSSA-N 2 1 218.344 2.098 10 0 BEAEMP CCCC[C@H](C[NH3+])Nc1[nH]c2ccccc2[nH+]1 ZINC000130520001 358630216 /nfs/dbraw/zinc/63/02/16/358630216.db2.gz NWPKMTLKTODZTG-SNVBAGLBSA-N 2 1 232.331 2.492 10 0 BEAEMP CC[C@@H]1CCC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000219857240 134292028 /nfs/dbraw/zinc/29/20/28/134292028.db2.gz JQYHFVFSXOIBRJ-OLZOCXBDSA-N 2 1 210.365 2.108 10 0 BEAEMP C[C@H]1CC[N@@H+](Cc2cc[nH]c2)C[C@H]1n1ccnc1 ZINC000246435449 359084405 /nfs/dbraw/zinc/08/44/05/359084405.db2.gz NDKNSLMEBJESOY-GXTWGEPZSA-N 2 1 244.342 2.294 10 0 BEAEMP C[C@H](Cc1ccccc1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000257360555 359342255 /nfs/dbraw/zinc/34/22/55/359342255.db2.gz FTIJVWUYXLEMTG-HIFRSBDPSA-N 2 1 232.371 2.288 10 0 BEAEMP CC[NH2+]CCCNc1cc[nH+]cc1Cl ZINC000086839712 359541578 /nfs/dbraw/zinc/54/15/78/359541578.db2.gz CAPYHXABMWZOPA-UHFFFAOYSA-N 2 1 213.712 2.147 10 0 BEAEMP CC(=[NH2+])N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000306571224 360458056 /nfs/dbraw/zinc/45/80/56/360458056.db2.gz GVHHBRRVHYGCAV-IUODEOHRSA-N 2 1 245.370 2.484 10 0 BEAEMP Cc1ccsc1[C@H]1[C@H](C[NH3+])CC[N@@H+]1C ZINC000069796097 360557565 /nfs/dbraw/zinc/55/75/65/360557565.db2.gz TYFSIFPOEJGSAA-VHSXEESVSA-N 2 1 210.346 2.008 10 0 BEAEMP Cc1ccc(N[C@H]2CC[C@@H]([NH3+])CC2)[nH+]c1 ZINC000238523642 361139518 /nfs/dbraw/zinc/13/95/18/361139518.db2.gz KGUPPGJJMAALPA-XYPYZODXSA-N 2 1 205.305 2.072 10 0 BEAEMP CC(C)[NH2+]CCCNc1[nH+]ccc2ccccc21 ZINC000630509468 364195100 /nfs/dbraw/zinc/19/51/00/364195100.db2.gz ZFAXXAJUEWGPKD-UHFFFAOYSA-N 2 1 243.354 2.457 10 0 BEAEMP CCc1cc(N2CCCCC[C@@H]([NH3+])C2)nc(C)[nH+]1 ZINC000630548963 364246538 /nfs/dbraw/zinc/24/65/38/364246538.db2.gz LAKLQBUPQABICB-GFCCVEGCSA-N 2 1 248.374 2.055 10 0 BEAEMP [NH3+]CCCCC[N@H+]1CCC[C@H]1c1cccnc1 ZINC000049580709 181375317 /nfs/dbraw/zinc/37/53/17/181375317.db2.gz YNOPQPSCQRDKJC-AWEZNQCLSA-N 2 1 233.359 2.348 10 0 BEAEMP [NH3+]CC[N@H+](C[C@H]1CCCCO1)C1CCCCC1 ZINC000104303609 181390243 /nfs/dbraw/zinc/39/02/43/181390243.db2.gz ASJSJCQOBRIRNE-CQSZACIVSA-N 2 1 240.391 2.149 10 0 BEAEMP [NH3+]CC[N@@H+](C[C@H]1CCCCO1)C1CCCCC1 ZINC000104303609 181390245 /nfs/dbraw/zinc/39/02/45/181390245.db2.gz ASJSJCQOBRIRNE-CQSZACIVSA-N 2 1 240.391 2.149 10 0 BEAEMP C[C@H](c1cccnc1)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000382426424 367520727 /nfs/dbraw/zinc/52/07/27/367520727.db2.gz XOEOAEMAAGPFBQ-YRGRVCCFSA-N 2 1 233.359 2.059 10 0 BEAEMP CC[N@H+](Cc1ccc(C)o1)C1CC[NH2+]CC1 ZINC000037469491 169905236 /nfs/dbraw/zinc/90/52/36/169905236.db2.gz RHIXVNLSTCMOJM-UHFFFAOYSA-N 2 1 222.332 2.162 10 0 BEAEMP CC[N@@H+](Cc1ccc(C)o1)C1CC[NH2+]CC1 ZINC000037469491 169905239 /nfs/dbraw/zinc/90/52/39/169905239.db2.gz RHIXVNLSTCMOJM-UHFFFAOYSA-N 2 1 222.332 2.162 10 0 BEAEMP C[C@@H]1C[N@@H+](CCC2CCCC2)C[C@@H]1C[NH3+] ZINC000631839949 369191386 /nfs/dbraw/zinc/19/13/86/369191386.db2.gz NEVFXQZDWVQKFL-YPMHNXCESA-N 2 1 210.365 2.093 10 0 BEAEMP CC(C)(C)[C@H]([NH3+])C[NH2+]Cc1ccccc1 ZINC000162653773 371741631 /nfs/dbraw/zinc/74/16/31/371741631.db2.gz JJWWNURPAGGVFU-GFCCVEGCSA-N 2 1 206.333 2.150 10 0 BEAEMP C[C@H]1C[N@H+](Cc2ccsc2Cl)C[C@@H]1C[NH3+] ZINC000631837159 372627586 /nfs/dbraw/zinc/62/75/86/372627586.db2.gz NOTOHMCBKYUKHK-WPRPVWTQSA-N 2 1 244.791 2.428 10 0 BEAEMP C[C@H]1C[N@@H+](Cc2ccsc2Cl)C[C@@H]1C[NH3+] ZINC000631837159 372627592 /nfs/dbraw/zinc/62/75/92/372627592.db2.gz NOTOHMCBKYUKHK-WPRPVWTQSA-N 2 1 244.791 2.428 10 0 BEAEMP CC[C@H](CC(F)F)C[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631837120 372627879 /nfs/dbraw/zinc/62/78/79/372627879.db2.gz NBLOHWQOODGQFJ-AXFHLTTASA-N 2 1 234.334 2.194 10 0 BEAEMP CCC(C)(C)CC[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631837981 372629384 /nfs/dbraw/zinc/62/93/84/372629384.db2.gz YLUVTZHTSBIQDK-NEPJUHHUSA-N 2 1 212.381 2.339 10 0 BEAEMP Cc1cc(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)c(C)s1 ZINC000631838399 372630699 /nfs/dbraw/zinc/63/06/99/372630699.db2.gz NPRBZFSBAVAZSQ-RNCFNFMXSA-N 2 1 238.400 2.392 10 0 BEAEMP C[C@@H]1C[N@H+](Cc2sccc2Cl)C[C@@H]1C[NH3+] ZINC000631838239 372631586 /nfs/dbraw/zinc/63/15/86/372631586.db2.gz KXVFGOCPKIAJHS-BDAKNGLRSA-N 2 1 244.791 2.428 10 0 BEAEMP C[C@@H]1C[N@@H+](Cc2sccc2Cl)C[C@@H]1C[NH3+] ZINC000631838239 372631591 /nfs/dbraw/zinc/63/15/91/372631591.db2.gz KXVFGOCPKIAJHS-BDAKNGLRSA-N 2 1 244.791 2.428 10 0 BEAEMP Cc1cc(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)c(C)s1 ZINC000631838401 372631802 /nfs/dbraw/zinc/63/18/02/372631802.db2.gz NPRBZFSBAVAZSQ-ZANVPECISA-N 2 1 238.400 2.392 10 0 BEAEMP Cc1cccc(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000631843882 372641816 /nfs/dbraw/zinc/64/18/16/372641816.db2.gz STYARPQHRUTRHL-OCCSQVGLSA-N 2 1 218.344 2.022 10 0 BEAEMP CCC[N@@H+](CC1CC1)C[C@@]1(C)CC[NH2+]C1 ZINC000062911718 169138964 /nfs/dbraw/zinc/13/89/64/169138964.db2.gz VEGUSYSBNVIBSL-ZDUSSCGKSA-N 2 1 210.365 2.108 10 0 BEAEMP CCCN(c1cc(C)[nH+]c(C)n1)[C@H]1CCC[NH2+]C1 ZINC000104342210 169182185 /nfs/dbraw/zinc/18/21/85/169182185.db2.gz ZKSQGPKQSQVYQR-ZDUSSCGKSA-N 2 1 248.374 2.062 10 0 BEAEMP CCC[N@H+]1CC[C@H]([NH+](CC)CC)[C@H](C)C1 ZINC000073654065 169208208 /nfs/dbraw/zinc/20/82/08/169208208.db2.gz XFKDNNXXXRQXHS-OLZOCXBDSA-N 2 1 212.381 2.449 10 0 BEAEMP CCC[NH2+]CC(C)(C)C[N@@H+](CC)[C@@H](C)COC ZINC000051250776 169256143 /nfs/dbraw/zinc/25/61/43/169256143.db2.gz QRFJRFRCWSBUND-ZDUSSCGKSA-N 2 1 244.423 2.369 10 0 BEAEMP CCC[NH2+]CC[C@@H](C)[N@@H+](C)C[C@@H]1CCCCO1 ZINC000052507778 169260546 /nfs/dbraw/zinc/26/05/46/169260546.db2.gz XBOKAPDHVGVOTM-KGLIPLIRSA-N 2 1 242.407 2.266 10 0 BEAEMP CCC[NH2+]C[C@@H](C)[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000052545279 169261687 /nfs/dbraw/zinc/26/16/87/169261687.db2.gz IQSYXARSXCZJCU-OLZOCXBDSA-N 2 1 242.407 2.121 10 0 BEAEMP CCC[NH2+]C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000052545279 169261688 /nfs/dbraw/zinc/26/16/88/169261688.db2.gz IQSYXARSXCZJCU-OLZOCXBDSA-N 2 1 242.407 2.121 10 0 BEAEMP CCC[NH2+]C[C@@H]1CCCN1c1cc(C)[nH+]c(C)n1 ZINC000053693066 169262587 /nfs/dbraw/zinc/26/25/87/169262587.db2.gz CJLOITRZOIOZNE-ZDUSSCGKSA-N 2 1 248.374 2.062 10 0 BEAEMP CCC[NH2+][C@H](C)[C@H](C)[N@H+](C)C[C@@H]1CCCOC1 ZINC000104198536 169286222 /nfs/dbraw/zinc/28/62/22/169286222.db2.gz PSFWFCHPLKBDBW-RDBSUJKOSA-N 2 1 242.407 2.121 10 0 BEAEMP CCC[NH2+][C@H](C)[C@H](C)[N@@H+](C)C[C@@H]1CCCOC1 ZINC000104198536 169286223 /nfs/dbraw/zinc/28/62/23/169286223.db2.gz PSFWFCHPLKBDBW-RDBSUJKOSA-N 2 1 242.407 2.121 10 0 BEAEMP CCC[NH2+]C[C@H](C)C[N@H+](C)Cc1ccncc1 ZINC000052480897 169264009 /nfs/dbraw/zinc/26/40/09/169264009.db2.gz RQZXPEVMIHHAFK-ZDUSSCGKSA-N 2 1 235.375 2.149 10 0 BEAEMP CCC[NH2+]C[C@H](C)C[N@@H+](C)Cc1ccncc1 ZINC000052480897 169264011 /nfs/dbraw/zinc/26/40/11/169264011.db2.gz RQZXPEVMIHHAFK-ZDUSSCGKSA-N 2 1 235.375 2.149 10 0 BEAEMP CCC[NH2+]C[C@H]1CCCN1c1cc(C)[nH+]c(C)n1 ZINC000053693070 169264436 /nfs/dbraw/zinc/26/44/36/169264436.db2.gz CJLOITRZOIOZNE-CYBMUJFWSA-N 2 1 248.374 2.062 10 0 BEAEMP c1ccc(C[N@H+]2CCC23CC[NH2+]CC3)cc1 ZINC000085210677 183396642 /nfs/dbraw/zinc/39/66/42/183396642.db2.gz HVEFEAXLXBXQTO-UHFFFAOYSA-N 2 1 216.328 2.015 10 0 BEAEMP c1ccc(C[N@H+]2CCCC3(C[NH2+]C3)CC2)cc1 ZINC000082346500 183397198 /nfs/dbraw/zinc/39/71/98/183397198.db2.gz PSTCGXXXBDJQBQ-UHFFFAOYSA-N 2 1 230.355 2.262 10 0 BEAEMP CCCO[C@@H]1CCC[N@@H+]([C@@](C)(C[NH3+])C2CC2)C1 ZINC000042421160 169311468 /nfs/dbraw/zinc/31/14/68/169311468.db2.gz ZCWXMYKJROXKNU-KGLIPLIRSA-N 2 1 240.391 2.005 10 0 BEAEMP CCCO[C@@H]1CCC[N@H+]([C@@](C)(C[NH3+])C2CC2)C1 ZINC000042421160 169311470 /nfs/dbraw/zinc/31/14/70/169311470.db2.gz ZCWXMYKJROXKNU-KGLIPLIRSA-N 2 1 240.391 2.005 10 0 BEAEMP CCCO[C@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]2)C1 ZINC000042425487 169312777 /nfs/dbraw/zinc/31/27/77/169312777.db2.gz BAPMSDCUGAZLJJ-KBPBESRZSA-N 2 1 240.391 2.020 10 0 BEAEMP [NH3+][C@H]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000095077333 384353112 /nfs/dbraw/zinc/35/31/12/384353112.db2.gz AHXUSIGCLDCNNO-GJZGRUSLSA-N 2 1 230.355 2.390 10 0 BEAEMP C[C@H]([NH2+]CCC[NH3+])c1ccc(F)cc1Cl ZINC000037713796 384513284 /nfs/dbraw/zinc/51/32/84/384513284.db2.gz HMPKVEUBOSADFU-QMMMGPOBSA-N 2 1 230.714 2.479 10 0 BEAEMP CC(C)(C)CC[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000372468348 384515040 /nfs/dbraw/zinc/51/50/40/384515040.db2.gz FWPCHIAMRHIVKM-NSHDSACASA-N 2 1 221.348 2.224 10 0 BEAEMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH3+])cc1F ZINC000019872905 384549143 /nfs/dbraw/zinc/54/91/43/384549143.db2.gz OLYHKXCNZFOCTL-QMMMGPOBSA-N 2 1 219.263 2.340 10 0 BEAEMP C[C@@H]1C[C@H]([N@@H+](C)CCc2ccccn2)CCN1C ZINC000123143618 384538017 /nfs/dbraw/zinc/53/80/17/384538017.db2.gz PPMXLCSVSASEKN-UKRRQHHQSA-N 2 1 247.386 2.039 10 0 BEAEMP C[C@@H]1C[C@H](N(C)CCc2ccccn2)CC[N@@H+]1C ZINC000123143618 384538023 /nfs/dbraw/zinc/53/80/23/384538023.db2.gz PPMXLCSVSASEKN-UKRRQHHQSA-N 2 1 247.386 2.039 10 0 BEAEMP C[C@@H]1C[C@H](N(C)CCc2ccccn2)CC[N@H+]1C ZINC000123143618 384538029 /nfs/dbraw/zinc/53/80/29/384538029.db2.gz PPMXLCSVSASEKN-UKRRQHHQSA-N 2 1 247.386 2.039 10 0 BEAEMP C[C@@H]1C[C@H]([NH+](C)CCc2ccccn2)CC[N@@H+]1C ZINC000123143618 384538033 /nfs/dbraw/zinc/53/80/33/384538033.db2.gz PPMXLCSVSASEKN-UKRRQHHQSA-N 2 1 247.386 2.039 10 0 BEAEMP C[C@@H]1C[C@H]([NH+](C)CCc2ccccn2)CC[N@H+]1C ZINC000123143618 384538037 /nfs/dbraw/zinc/53/80/37/384538037.db2.gz PPMXLCSVSASEKN-UKRRQHHQSA-N 2 1 247.386 2.039 10 0 BEAEMP C[C@@H]1C[C@H]([N@H+](C)CCc2ccccn2)CC[NH+]1C ZINC000123143618 384538041 /nfs/dbraw/zinc/53/80/41/384538041.db2.gz PPMXLCSVSASEKN-UKRRQHHQSA-N 2 1 247.386 2.039 10 0 BEAEMP C[C@@H]1C[C@H]([N@@H+](C)CCc2ccccn2)CC[NH+]1C ZINC000123143618 384538044 /nfs/dbraw/zinc/53/80/44/384538044.db2.gz PPMXLCSVSASEKN-UKRRQHHQSA-N 2 1 247.386 2.039 10 0 BEAEMP CCC[C@@H]1C[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000300358045 384683036 /nfs/dbraw/zinc/68/30/36/384683036.db2.gz BAOUMAKRZSBJQF-NDBYEHHHSA-N 2 1 210.365 2.247 10 0 BEAEMP CCC[C@@H]1C[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000300358045 384683038 /nfs/dbraw/zinc/68/30/38/384683038.db2.gz BAOUMAKRZSBJQF-NDBYEHHHSA-N 2 1 210.365 2.247 10 0 BEAEMP CC[NH+](CC)C[C@@H]1C[NH2+]Cc2ccccc21 ZINC000083643675 384785397 /nfs/dbraw/zinc/78/53/97/384785397.db2.gz YRDMQJZHYFBWHU-ZDUSSCGKSA-N 2 1 218.344 2.215 10 0 BEAEMP CC(C)(C)C[NH2+]C[C@@H]1CCn2cc[nH+]c2C1 ZINC000369361542 384958605 /nfs/dbraw/zinc/95/86/05/384958605.db2.gz FVPHKXDVSZUOGF-LLVKDONJSA-N 2 1 221.348 2.081 10 0 BEAEMP CC[NH+](CC)[C@H](C)C[NH2+][C@H](C)CC1CC1 ZINC000127600290 384905074 /nfs/dbraw/zinc/90/50/74/384905074.db2.gz KHCOFFRSYCWJOZ-VXGBXAGGSA-N 2 1 212.381 2.495 10 0 BEAEMP CC(C)(C)C[NH2+]C[C@H]1CCn2cc[nH+]c2C1 ZINC000369361543 384959908 /nfs/dbraw/zinc/95/99/08/384959908.db2.gz FVPHKXDVSZUOGF-NSHDSACASA-N 2 1 221.348 2.081 10 0 BEAEMP CC[C@H](C)[NH2+]C[C@H]1CCC[N@@H+]1CC(C)C ZINC000090773191 385092801 /nfs/dbraw/zinc/09/28/01/385092801.db2.gz STRITDZSTAFZSU-QWHCGFSZSA-N 2 1 212.381 2.495 10 0 BEAEMP CC[C@H](C)[NH2+]C[C@H]1CCC[N@H+]1CC(C)C ZINC000090773191 385092809 /nfs/dbraw/zinc/09/28/09/385092809.db2.gz STRITDZSTAFZSU-QWHCGFSZSA-N 2 1 212.381 2.495 10 0 BEAEMP C[C@@H]1C[C@H]([NH3+])[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000169616759 385415589 /nfs/dbraw/zinc/41/55/89/385415589.db2.gz MPGWATXLKGPBOP-BZPMIXESSA-N 2 1 218.344 2.244 10 0 BEAEMP C[C@@H]1C[C@H]([NH3+])[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000169616759 385415594 /nfs/dbraw/zinc/41/55/94/385415594.db2.gz MPGWATXLKGPBOP-BZPMIXESSA-N 2 1 218.344 2.244 10 0 BEAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](C[C@@H]3CCC(F)(F)C3)C[C@@H]12 ZINC000310379385 386181253 /nfs/dbraw/zinc/18/12/53/386181253.db2.gz GOOYSOJBRVWXMT-DDHJBXDOSA-N 2 1 244.329 2.091 10 0 BEAEMP C[C@H]1CC(C)(C)C[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000334854424 386905596 /nfs/dbraw/zinc/90/55/96/386905596.db2.gz MXRGYIRBIBGOLL-NWDGAFQWSA-N 2 1 210.365 2.106 10 0 BEAEMP C[C@@H]1C[N@H+]([C@@H](C2CC2)C2CCC2)C[C@@]1(C)C[NH3+] ZINC000423520339 387352681 /nfs/dbraw/zinc/35/26/81/387352681.db2.gz JWZCQNUYCGDXFR-KCPJHIHWSA-N 2 1 236.403 2.482 10 0 BEAEMP CC[C@H]([NH2+][C@H]1CCC[NH2+][C@H]1C)C1CCC1 ZINC000396687429 387481927 /nfs/dbraw/zinc/48/19/27/387481927.db2.gz YXPZYEATHKVIPP-DRZSPHRISA-N 2 1 210.365 2.295 10 0 BEAEMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CCC(C)(C)C1 ZINC000396694039 387483832 /nfs/dbraw/zinc/48/38/32/387483832.db2.gz IYBFKIZBJQQLPV-TUAOUCFPSA-N 2 1 210.365 2.295 10 0 BEAEMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)C1(C)CC1 ZINC000037140912 387560380 /nfs/dbraw/zinc/56/03/80/387560380.db2.gz CJONTAGRZSIQGN-NSHDSACASA-N 2 1 222.376 2.391 10 0 BEAEMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)C1(C)CC1 ZINC000037140913 387560438 /nfs/dbraw/zinc/56/04/38/387560438.db2.gz CJONTAGRZSIQGN-LLVKDONJSA-N 2 1 222.376 2.391 10 0 BEAEMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccco1 ZINC000422965501 387815728 /nfs/dbraw/zinc/81/57/28/387815728.db2.gz OXJFOHLXJSOMJC-WSMDXJOWSA-N 2 1 220.316 2.213 10 0 BEAEMP C[C@H]([NH2+][C@@H]1CCC[NH2+][C@@H]1C)C1CCCC1 ZINC000396646578 387928637 /nfs/dbraw/zinc/92/86/37/387928637.db2.gz CHESCNUPURHXCY-DMDPSCGWSA-N 2 1 210.365 2.295 10 0 BEAEMP CC[C@H](C1CCC1)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000322726841 388444989 /nfs/dbraw/zinc/44/49/89/388444989.db2.gz UYLXORQKYZQITI-MRVWCRGKSA-N 2 1 224.392 2.482 10 0 BEAEMP CC[NH+](CC)[C@@H](C)C[NH2+][C@@H]1CCCSC1 ZINC000134804667 388479495 /nfs/dbraw/zinc/47/94/95/388479495.db2.gz YEVMKMRHNNRAJC-NWDGAFQWSA-N 2 1 230.421 2.202 10 0 BEAEMP Cc1ccc(N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)[nH+]c1 ZINC000037918225 132345605 /nfs/dbraw/zinc/34/56/05/132345605.db2.gz CVFBIXSETVRCBM-KGLIPLIRSA-N 2 1 245.370 2.358 10 0 BEAEMP Cc1ccc[nH+]c1N1CCC[C@H](C[NH2+]C2CC2)C1 ZINC000053702143 132363157 /nfs/dbraw/zinc/36/31/57/132363157.db2.gz BSWOALUKQDLYJD-CYBMUJFWSA-N 2 1 245.370 2.358 10 0 BEAEMP CC[NH+](CC)c1ccc(N2CCC([NH3+])CC2)cc1 ZINC000057536655 132365873 /nfs/dbraw/zinc/36/58/73/132365873.db2.gz LCZIWNYVBKPHRI-UHFFFAOYSA-N 2 1 247.386 2.460 10 0 BEAEMP CC1(C)C[N@@H+](CC2CCCC2)CC[C@@H]1[NH3+] ZINC000258760620 135133852 /nfs/dbraw/zinc/13/38/52/135133852.db2.gz KQVWBBOWYKZFFG-LBPRGKRZSA-N 2 1 210.365 2.236 10 0 BEAEMP C[C@@H]1C[N@H+](C[C@H]2CCCC(F)(F)C2)C[C@@H]1[NH3+] ZINC000261533103 135163937 /nfs/dbraw/zinc/16/39/37/135163937.db2.gz PXHODGAAXOXNAI-VWYCJHECSA-N 2 1 232.318 2.091 10 0 BEAEMP C[C@@H]1C[N@@H+](C[C@H]2CCCC(F)(F)C2)C[C@@H]1[NH3+] ZINC000261533103 135163938 /nfs/dbraw/zinc/16/39/38/135163938.db2.gz PXHODGAAXOXNAI-VWYCJHECSA-N 2 1 232.318 2.091 10 0 BEAEMP C[C@@H]1C[N@H+](C[C@H]2CCCC(F)(F)C2)C[C@H]1[NH3+] ZINC000261533102 135164020 /nfs/dbraw/zinc/16/40/20/135164020.db2.gz PXHODGAAXOXNAI-OUAUKWLOSA-N 2 1 232.318 2.091 10 0 BEAEMP C[C@@H]1C[N@@H+](C[C@H]2CCCC(F)(F)C2)C[C@H]1[NH3+] ZINC000261533102 135164021 /nfs/dbraw/zinc/16/40/21/135164021.db2.gz PXHODGAAXOXNAI-OUAUKWLOSA-N 2 1 232.318 2.091 10 0 BEAEMP CC1CCC(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000261540588 135180439 /nfs/dbraw/zinc/18/04/39/135180439.db2.gz AHJDQZHRDXWWPT-PFSRBDOWSA-N 2 1 236.403 2.354 10 0 BEAEMP CC[N@@H+](C[C@]1(C)CC[NH2+]C1)[C@@H](C)C(C)C ZINC000261550801 135190293 /nfs/dbraw/zinc/19/02/93/135190293.db2.gz PRXVBVOADQYXIK-QWHCGFSZSA-N 2 1 212.381 2.352 10 0 BEAEMP CC1(C)CN(c2cc[nH+]cc2Cl)CC[C@@H]1[NH3+] ZINC000261566883 135208541 /nfs/dbraw/zinc/20/85/41/135208541.db2.gz DRRUYGRXTOGROC-NSHDSACASA-N 2 1 239.750 2.299 10 0 BEAEMP CC(C)[NH2+]CCC[C@@H](C)[N@H+]1CCOCC1(C)C ZINC000052546158 167102945 /nfs/dbraw/zinc/10/29/45/167102945.db2.gz BISSCBIWGASXJY-CYBMUJFWSA-N 2 1 242.407 2.264 10 0 BEAEMP CC(C)[NH2+]CC[N@@H+]1CC[C@@]2(CC[C@H](C)C2)C1 ZINC000309637125 167104244 /nfs/dbraw/zinc/10/42/44/167104244.db2.gz SYNKHLGBIOLEFL-UONOGXRCSA-N 2 1 224.392 2.497 10 0 BEAEMP CC(C)[NH2+]CC[N@H+]1CC[C@@]2(CC[C@H](C)C2)C1 ZINC000309637125 167104247 /nfs/dbraw/zinc/10/42/47/167104247.db2.gz SYNKHLGBIOLEFL-UONOGXRCSA-N 2 1 224.392 2.497 10 0 BEAEMP CC(C)[NH2+]C[C@@H](C(C)C)[N@@H+]1CCCO[C@@H](C)C1 ZINC000061935674 167108618 /nfs/dbraw/zinc/10/86/18/167108618.db2.gz LJCUBQUZKZCRKS-KBPBESRZSA-N 2 1 242.407 2.120 10 0 BEAEMP CC(C)[NH2+]C[C@@H](C(C)C)[N@H+]1CCCO[C@@H](C)C1 ZINC000061935674 167108619 /nfs/dbraw/zinc/10/86/19/167108619.db2.gz LJCUBQUZKZCRKS-KBPBESRZSA-N 2 1 242.407 2.120 10 0 BEAEMP c1ccc2c(c1)cccc2CC[NH2+][C@H]1CC[NH2+]C1 ZINC000258912796 322878427 /nfs/dbraw/zinc/87/84/27/322878427.db2.gz IHNDBLICMJIIGO-HNNXBMFYSA-N 2 1 240.350 2.334 10 0 BEAEMP CC(C)OCCC[NH2+]CC[NH+]1CCCCCC1 ZINC000053343852 167221080 /nfs/dbraw/zinc/22/10/80/167221080.db2.gz DMJIOURFDCYHJA-UHFFFAOYSA-N 2 1 242.407 2.267 10 0 BEAEMP C[C@H](C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1)C(C)(C)C ZINC000309270009 410690976 /nfs/dbraw/zinc/69/09/76/410690976.db2.gz CYIAPCIJSFJGBQ-MROQNXINSA-N 2 1 224.392 2.338 10 0 BEAEMP CC(C)C[N@@H+](C)CCC[NH2+]C1CCCC1 ZINC000053499079 410739022 /nfs/dbraw/zinc/73/90/22/410739022.db2.gz LMUVESWPOPDUEX-UHFFFAOYSA-N 2 1 212.381 2.497 10 0 BEAEMP CC(C)[NH2+]C1[C@@H]2CCC[C@H]1C[N@H+](C(C)C)C2 ZINC000040768952 167095844 /nfs/dbraw/zinc/09/58/44/167095844.db2.gz PYNBUAVTJIDZAM-PBWFPOADSA-N 2 1 224.392 2.493 10 0 BEAEMP CC(C)[NH2+]C1[C@@H]2CCC[C@H]1C[N@@H+](C(C)C)C2 ZINC000040768952 167095846 /nfs/dbraw/zinc/09/58/46/167095846.db2.gz PYNBUAVTJIDZAM-PBWFPOADSA-N 2 1 224.392 2.493 10 0 BEAEMP CC(C)[NH2+]CC[C@H](C)[N@@H+](C)CC1CCOCC1 ZINC000104196197 167109205 /nfs/dbraw/zinc/10/92/05/167109205.db2.gz VQTFXKQFFBRDFO-ZDUSSCGKSA-N 2 1 242.407 2.121 10 0 BEAEMP CC(C)[NH2+]CC[C@@H](C)[N@@H+](C)CCc1ccccn1 ZINC000052424006 167109865 /nfs/dbraw/zinc/10/98/65/167109865.db2.gz BUWDHQLHFDWOLG-CQSZACIVSA-N 2 1 249.402 2.333 10 0 BEAEMP CC(C)[NH2+]C[C@H](C)C[N@@H+](C)CCc1ccncc1 ZINC000052483061 167113778 /nfs/dbraw/zinc/11/37/78/167113778.db2.gz TZULRIMLFLVEKA-AWEZNQCLSA-N 2 1 249.402 2.190 10 0 BEAEMP CC(C)[NH2+]Cc1cc2c(s1)CC[N@H+](C)C2 ZINC000045206002 167116758 /nfs/dbraw/zinc/11/67/58/167116758.db2.gz IXPVULFENBYSBP-UHFFFAOYSA-N 2 1 224.373 2.234 10 0 BEAEMP CC(C)[NH2+]Cc1cc2c(s1)CC[N@@H+](C)C2 ZINC000045206002 167116759 /nfs/dbraw/zinc/11/67/59/167116759.db2.gz IXPVULFENBYSBP-UHFFFAOYSA-N 2 1 224.373 2.234 10 0 BEAEMP CC(C)[C@@H](C[NH3+])[N@H+](C)Cc1ccccc1 ZINC000019264878 167396883 /nfs/dbraw/zinc/39/68/83/167396883.db2.gz CRYOSWKNZFTJKV-CYBMUJFWSA-N 2 1 206.333 2.102 10 0 BEAEMP CC(C)[C@@H](C[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000019264878 167396886 /nfs/dbraw/zinc/39/68/86/167396886.db2.gz CRYOSWKNZFTJKV-CYBMUJFWSA-N 2 1 206.333 2.102 10 0 BEAEMP CC(C)[C@@H](C[NH2+][C@@H](C)Cc1ccco1)[NH+](C)C ZINC000062769741 167398654 /nfs/dbraw/zinc/39/86/54/167398654.db2.gz YBWKLUMNEQEUHF-GXTWGEPZSA-N 2 1 238.375 2.386 10 0 BEAEMP CC1=CC[N@@H+](CC[C@@H]2CCCC[NH2+]2)CC1 ZINC000075423272 168111492 /nfs/dbraw/zinc/11/14/92/168111492.db2.gz VYKULKSOIVGCJA-ZDUSSCGKSA-N 2 1 208.349 2.171 10 0 BEAEMP CC1CCC([N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)CC1 ZINC000049709754 168159019 /nfs/dbraw/zinc/15/90/19/168159019.db2.gz SUIGBUCAFLGZNL-CMOBGSAGSA-N 2 1 210.365 2.377 10 0 BEAEMP CC1CCC([N@@H+](C)C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000062911688 168160174 /nfs/dbraw/zinc/16/01/74/168160174.db2.gz PYDGKXIXTIBCPE-RUXDESIVSA-N 2 1 224.392 2.497 10 0 BEAEMP CCC(C)(C)[N@@H+]1C[C@H](C)C[NH2+]C[C@H](C)C1 ZINC000049665002 168287886 /nfs/dbraw/zinc/28/78/86/168287886.db2.gz SRKGHOKKZMUNGC-TXEJJXNPSA-N 2 1 212.381 2.352 10 0 BEAEMP CC[N@@H+]1CCc2nc([C@@](C)([NH3+])CC)sc2C1 ZINC000041059528 170025517 /nfs/dbraw/zinc/02/55/17/170025517.db2.gz NYYBVURATATFMQ-LBPRGKRZSA-N 2 1 239.388 2.105 10 0 BEAEMP CC[N@H+]1CCc2nc([C@@](C)([NH3+])CC)sc2C1 ZINC000041059528 170025518 /nfs/dbraw/zinc/02/55/18/170025518.db2.gz NYYBVURATATFMQ-LBPRGKRZSA-N 2 1 239.388 2.105 10 0 BEAEMP CC[NH2+]C1CC[NH+]([C@@H](C)Cc2ccco2)CC1 ZINC000042590195 170109848 /nfs/dbraw/zinc/10/98/48/170109848.db2.gz JTJCUNZDCXNYPO-LBPRGKRZSA-N 2 1 236.359 2.285 10 0 BEAEMP CC[NH2+]CC1(C[N@@H+](CC)CCOC)CCCC1 ZINC000051254647 170110612 /nfs/dbraw/zinc/11/06/12/170110612.db2.gz SDHAQGQSXGQFTC-UHFFFAOYSA-N 2 1 242.407 2.125 10 0 BEAEMP CC[NH2+]CC[C@H](C)[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000052573237 170117180 /nfs/dbraw/zinc/11/71/80/170117180.db2.gz IUWJQUIVGXGWOK-IHRRRGAJSA-N 2 1 240.391 2.018 10 0 BEAEMP CC[NH2+]CC[C@H](C)[N@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000052573237 170117181 /nfs/dbraw/zinc/11/71/81/170117181.db2.gz IUWJQUIVGXGWOK-IHRRRGAJSA-N 2 1 240.391 2.018 10 0 BEAEMP CC[NH2+]C[C@@H]1CC[C@@H](C[N@@H+](C)[C@@H](C)C(C)C)O1 ZINC000052478621 170120501 /nfs/dbraw/zinc/12/05/01/170120501.db2.gz DSVNNSLIOALTQQ-IHRRRGAJSA-N 2 1 242.407 2.120 10 0 BEAEMP CC[NH2+]C[C@@H]1CC[C@H](C[N@@H+](C)[C@@H](C)C(C)C)O1 ZINC000052478619 170120777 /nfs/dbraw/zinc/12/07/77/170120777.db2.gz DSVNNSLIOALTQQ-MELADBBJSA-N 2 1 242.407 2.120 10 0 BEAEMP CC[NH2+]C[C@H]1CCC[N@@H+](CCC(C)C)C1 ZINC000053653989 170122789 /nfs/dbraw/zinc/12/27/89/170122789.db2.gz ADSFUIOPBRBKFB-CYBMUJFWSA-N 2 1 212.381 2.354 10 0 BEAEMP CC[NH2+]Cc1cc(C[N@@H+](CC)[C@@H](C)CC)on1 ZINC000052451143 170125195 /nfs/dbraw/zinc/12/51/95/170125195.db2.gz VNDZUUIONXQBDA-NSHDSACASA-N 2 1 239.363 2.405 10 0 BEAEMP CC[NH2+]Cc1ccccc1-n1cc[nH+]c1C ZINC000034825289 170127984 /nfs/dbraw/zinc/12/79/84/170127984.db2.gz HNUVLHJPCBCOIS-UHFFFAOYSA-N 2 1 215.300 2.290 10 0 BEAEMP CC[NH2+][C@H]1CCC[C@H]1C[N@@H+](CC)CCOCC ZINC000104190895 170166497 /nfs/dbraw/zinc/16/64/97/170166497.db2.gz KWPLJDWRAPAYKO-KBPBESRZSA-N 2 1 242.407 2.123 10 0 BEAEMP CC[NH2+][C@H]1CCC[C@@H]1C[N@@H+](CC)[C@@H](C)COC ZINC000053871458 170166603 /nfs/dbraw/zinc/16/66/03/170166603.db2.gz GZCNVJYWNPIWAY-MJBXVCDLSA-N 2 1 242.407 2.121 10 0 BEAEMP CC[NH2+][C@H]1CC[N@H+](C2CCCCCC2)C1 ZINC000037242438 170166979 /nfs/dbraw/zinc/16/69/79/170166979.db2.gz ARTKKILDPRMGOC-LBPRGKRZSA-N 2 1 210.365 2.393 10 0 BEAEMP CC[NH2+][C@H]1CC[N@H+](CCc2cccnc2)[C@H](C)C1 ZINC000049712950 170167666 /nfs/dbraw/zinc/16/76/66/170167666.db2.gz GZFZELIXOQRUHR-HIFRSBDPSA-N 2 1 247.386 2.087 10 0 BEAEMP CC[NH2+][C@H]1CC[N@@H+](CCc2cccnc2)[C@H](C)C1 ZINC000049712950 170167668 /nfs/dbraw/zinc/16/76/68/170167668.db2.gz GZFZELIXOQRUHR-HIFRSBDPSA-N 2 1 247.386 2.087 10 0 BEAEMP CC[NH2+][C@H]1CC[N@H+](CCc2ccccn2)[C@H](C)C1 ZINC000049712394 170168292 /nfs/dbraw/zinc/16/82/92/170168292.db2.gz FYCDNSMGEZLRMY-HIFRSBDPSA-N 2 1 247.386 2.087 10 0 BEAEMP CC[NH2+][C@H]1CC[N@@H+](CCc2ccccn2)[C@H](C)C1 ZINC000049712394 170168293 /nfs/dbraw/zinc/16/82/93/170168293.db2.gz FYCDNSMGEZLRMY-HIFRSBDPSA-N 2 1 247.386 2.087 10 0 BEAEMP CCOCCCC[NH2+]CC[NH+]1CCCCCC1 ZINC000053343845 170369942 /nfs/dbraw/zinc/36/99/42/170369942.db2.gz FLDHDJZPDKCKIM-UHFFFAOYSA-N 2 1 242.407 2.269 10 0 BEAEMP CCOCCC[N@@H+]1CC[C@@H](CC)[NH2+][C@@H](C)CC1 ZINC000049665157 170375487 /nfs/dbraw/zinc/37/54/87/170375487.db2.gz PKRLXDJHKBOGDA-UONOGXRCSA-N 2 1 242.407 2.266 10 0 BEAEMP CC[C@@H]1CC[N@H+](Cc2cccnc2)C[C@H](C)C[NH2+]1 ZINC000049666576 171011229 /nfs/dbraw/zinc/01/12/29/171011229.db2.gz TYFSFNWGPGIEOI-UKRRQHHQSA-N 2 1 247.386 2.292 10 0 BEAEMP CC[C@@H]1CC[N@@H+](Cc2cccnc2)C[C@H](C)C[NH2+]1 ZINC000049666576 171011230 /nfs/dbraw/zinc/01/12/30/171011230.db2.gz TYFSFNWGPGIEOI-UKRRQHHQSA-N 2 1 247.386 2.292 10 0 BEAEMP CC[C@@H]1CC[N@H+](Cc2ccco2)CCC[NH2+]1 ZINC000049664320 171011649 /nfs/dbraw/zinc/01/16/49/171011649.db2.gz ZEDIZWDOLZGSOX-GFCCVEGCSA-N 2 1 222.332 2.244 10 0 BEAEMP CC[C@@H]1CC[N@@H+](Cc2ccco2)CCC[NH2+]1 ZINC000049664320 171011652 /nfs/dbraw/zinc/01/16/52/171011652.db2.gz ZEDIZWDOLZGSOX-GFCCVEGCSA-N 2 1 222.332 2.244 10 0 BEAEMP CC[C@@H]1CC[N@H+](Cc2ccco2)C[C@H](C)C[NH2+]1 ZINC000049664331 171012545 /nfs/dbraw/zinc/01/25/45/171012545.db2.gz GBJSRNCSRQWZNS-CHWSQXEVSA-N 2 1 236.359 2.490 10 0 BEAEMP CC[C@@H]1CC[N@@H+](Cc2ccco2)C[C@H](C)C[NH2+]1 ZINC000049664331 171012546 /nfs/dbraw/zinc/01/25/46/171012546.db2.gz GBJSRNCSRQWZNS-CHWSQXEVSA-N 2 1 236.359 2.490 10 0 BEAEMP CC[C@@H]1[C@H]([NH3+])CCC[N@@H+]1Cc1ccccc1 ZINC000082374890 171162651 /nfs/dbraw/zinc/16/26/51/171162651.db2.gz QYIOHZIVSUBXIY-ZIAGYGMSSA-N 2 1 218.344 2.388 10 0 BEAEMP CC[C@@H]1[C@H]([NH3+])CCC[N@H+]1Cc1ccccc1 ZINC000082374890 171162652 /nfs/dbraw/zinc/16/26/52/171162652.db2.gz QYIOHZIVSUBXIY-ZIAGYGMSSA-N 2 1 218.344 2.388 10 0 BEAEMP CC[C@H](C)[N@@H+](CCOC)CC1CCC([NH3+])CC1 ZINC000042593337 171315822 /nfs/dbraw/zinc/31/58/22/171315822.db2.gz GOXGNKIEDUMMNP-HSBZDZAISA-N 2 1 242.407 2.251 10 0 BEAEMP CC[C@H](C)[C@@H](C)[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000360014117 171367997 /nfs/dbraw/zinc/36/79/97/171367997.db2.gz ILBKASAITFPKFN-TUAOUCFPSA-N 2 1 221.348 2.222 10 0 BEAEMP CCc1[nH+]ccn1Cc1ccc(C[NH2+]C)cc1 ZINC000052593133 172026890 /nfs/dbraw/zinc/02/68/90/172026890.db2.gz QLUBKPDGDYEAFQ-UHFFFAOYSA-N 2 1 229.327 2.213 10 0 BEAEMP CCc1[nH+]ccn1Cc1ccccc1C[NH2+]C ZINC000052593215 172027169 /nfs/dbraw/zinc/02/71/69/172027169.db2.gz DQLWAWWGJBIBKD-UHFFFAOYSA-N 2 1 229.327 2.213 10 0 BEAEMP CCc1[nH+]ccn1[C@H]1CCCCC[C@H]1[NH3+] ZINC000042419732 172029471 /nfs/dbraw/zinc/02/94/71/172029471.db2.gz WCRCZJINVLDLRI-MNOVXSKESA-N 2 1 207.321 2.278 10 0 BEAEMP CCc1[nH+]ccn1[C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000042902896 172030014 /nfs/dbraw/zinc/03/00/14/172030014.db2.gz RJHZDVUOYQXAOI-RISCZKNCSA-N 2 1 229.327 2.382 10 0 BEAEMP CCn1cccc1C[NH2+]CCC[N@H+](C)C(C)C ZINC000226340179 172208076 /nfs/dbraw/zinc/20/80/76/172208076.db2.gz FDEKFMZHVNMAHL-UHFFFAOYSA-N 2 1 237.391 2.328 10 0 BEAEMP CCn1cccc1C[NH2+]CCC[N@@H+](C)C(C)C ZINC000226340179 172208077 /nfs/dbraw/zinc/20/80/77/172208077.db2.gz FDEKFMZHVNMAHL-UHFFFAOYSA-N 2 1 237.391 2.328 10 0 BEAEMP C[NH+](C)[C@H](C[NH2+][C@@H]1CCC1(C)C)C1CC1 ZINC000309034184 172535038 /nfs/dbraw/zinc/53/50/38/172535038.db2.gz HBEKXRABYDSUKS-VXGBXAGGSA-N 2 1 210.365 2.105 10 0 BEAEMP C[N@H+]1CCC[C@@H]1CCOCc1cccc(C[NH3+])c1 ZINC000052673270 173028154 /nfs/dbraw/zinc/02/81/54/173028154.db2.gz IGYKWDOPPIIVSA-OAHLLOKOSA-N 2 1 248.370 2.146 10 0 BEAEMP C[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(Cl)cc2)C1 ZINC000037484574 173114095 /nfs/dbraw/zinc/11/40/95/173114095.db2.gz IKVBNPRFNJYJAO-LBPRGKRZSA-N 2 1 238.762 2.381 10 0 BEAEMP C[N@H+]1CC[C@@H](C[NH2+]C2CC(c3ccccc3)C2)C1 ZINC000037646659 173114856 /nfs/dbraw/zinc/11/48/56/173114856.db2.gz LNOFJRSUBGOHEP-JEYLPNPQSA-N 2 1 244.382 2.474 10 0 BEAEMP C[N@H+]1CC[C@@H](Nc2cc[nH+]c3ccccc23)C1 ZINC000042548007 173125103 /nfs/dbraw/zinc/12/51/03/173125103.db2.gz ZVUWXNNABIDIHA-LLVKDONJSA-N 2 1 227.311 2.351 10 0 BEAEMP C[N@H+]1CC[C@H](C[NH2+]Cc2ccc(F)c(F)c2)C1 ZINC000037645876 173146368 /nfs/dbraw/zinc/14/63/68/173146368.db2.gz IEDLBGXIBBUQCM-LLVKDONJSA-N 2 1 240.297 2.006 10 0 BEAEMP C[NH2+]C(C)(C)C[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000061319616 173318968 /nfs/dbraw/zinc/31/89/68/173318968.db2.gz CAPGJTFJYQCBSH-CHWSQXEVSA-N 2 1 224.392 2.497 10 0 BEAEMP C[NH2+]C1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000037469343 173322848 /nfs/dbraw/zinc/32/28/48/173322848.db2.gz YOEDDAFXYKQUNT-UHFFFAOYSA-N 2 1 218.344 2.179 10 0 BEAEMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)c1cccnc1 ZINC000054628080 173323627 /nfs/dbraw/zinc/32/36/27/173323627.db2.gz ZNEIPEWPTXPPTA-JZIBPQBNSA-N 2 1 245.370 2.357 10 0 BEAEMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)c1cccnc1 ZINC000054628080 173323628 /nfs/dbraw/zinc/32/36/28/173323628.db2.gz ZNEIPEWPTXPPTA-JZIBPQBNSA-N 2 1 245.370 2.357 10 0 BEAEMP C[NH2+]C1CC[NH+]([C@H](C)CCc2ccco2)CC1 ZINC000049568567 173324291 /nfs/dbraw/zinc/32/42/91/173324291.db2.gz IDULCITTWSTMPQ-GFCCVEGCSA-N 2 1 236.359 2.285 10 0 BEAEMP C[NH2+]CC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000083008631 173358982 /nfs/dbraw/zinc/35/89/82/173358982.db2.gz POVGHOFEDXLJDF-AWEZNQCLSA-N 2 1 218.344 2.118 10 0 BEAEMP C[NH2+]CC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000077364770 173359208 /nfs/dbraw/zinc/35/92/08/173359208.db2.gz MCYUXXIWWZIUPQ-HNNXBMFYSA-N 2 1 232.371 2.161 10 0 BEAEMP C[NH2+]C[C@H]1CCC[N@H+]([C@@H](C)C2CCCC2)C1 ZINC000054082008 173379224 /nfs/dbraw/zinc/37/92/24/173379224.db2.gz SPWYLWMRRJQOBD-QWHCGFSZSA-N 2 1 224.392 2.497 10 0 BEAEMP C[NH2+]Cc1cc(C[N@H+]2CCC[C@@H]2C)c(C)o1 ZINC000052376108 173387314 /nfs/dbraw/zinc/38/73/14/173387314.db2.gz WIWVOQVIFVKACA-JTQLQIEISA-N 2 1 222.332 2.292 10 0 BEAEMP C[NH2+]Cc1ccoc1C[N@H+]1CCCC[C@H]1C ZINC000052378638 173391742 /nfs/dbraw/zinc/39/17/42/173391742.db2.gz WAWSXHAWCWMEEB-LLVKDONJSA-N 2 1 222.332 2.373 10 0 BEAEMP C[NH2+][C@H]1CC[N@@H+](CCc2cccs2)[C@H](C)C1 ZINC000049712303 173465441 /nfs/dbraw/zinc/46/54/41/173465441.db2.gz OXCONWNPOFMHIS-NEPJUHHUSA-N 2 1 238.400 2.363 10 0 BEAEMP COCC[N@@H+](C1CC1)[C@@H]1CCCCC[C@@H]1C[NH3+] ZINC000042517604 174285141 /nfs/dbraw/zinc/28/51/41/174285141.db2.gz FPNIPWUXCYLYBP-TZMCWYRMSA-N 2 1 240.391 2.005 10 0 BEAEMP COCC[N@H+](C1CC1)[C@]1(C[NH3+])CCCC[C@H]1C ZINC000042517897 174285235 /nfs/dbraw/zinc/28/52/35/174285235.db2.gz FEMBKSWMOJKWQO-OCCSQVGLSA-N 2 1 240.391 2.005 10 0 BEAEMP COCC[N@@H+](C1CC1)[C@]1(C[NH3+])CCCC[C@H]1C ZINC000042517897 174285237 /nfs/dbraw/zinc/28/52/37/174285237.db2.gz FEMBKSWMOJKWQO-OCCSQVGLSA-N 2 1 240.391 2.005 10 0 BEAEMP COCC[N@@H+](CC(C)C)[C@@H]1C[C@H](C)CC[C@H]1[NH3+] ZINC000042368729 174286942 /nfs/dbraw/zinc/28/69/42/174286942.db2.gz VUTXUBNYPNFXCQ-MGPQQGTHSA-N 2 1 242.407 2.107 10 0 BEAEMP COCC[N@@H+](CC(C)C)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000053858760 174286980 /nfs/dbraw/zinc/28/69/80/174286980.db2.gz MZGOMVLQUXGDMB-KBPBESRZSA-N 2 1 242.407 2.108 10 0 BEAEMP COCC[N@@H+](CC(C)C)CC1([NH3+])CCCCC1 ZINC000042370854 174287242 /nfs/dbraw/zinc/28/72/42/174287242.db2.gz LRWXVBWMEBANLS-UHFFFAOYSA-N 2 1 242.407 2.252 10 0 BEAEMP COCC[N@@H+](C[C@H]([NH3+])CC(C)C)[C@@H](C)C1CC1 ZINC000042689392 174298299 /nfs/dbraw/zinc/29/82/99/174298299.db2.gz CDBXANRFZGCQCD-GXTWGEPZSA-N 2 1 242.407 2.107 10 0 BEAEMP COCC[NH2+]CCCC[N@H+]1CCC[C@H](C)[C@H]1C ZINC000053499323 174332850 /nfs/dbraw/zinc/33/28/50/174332850.db2.gz LDLLLYMYGNLEHQ-UONOGXRCSA-N 2 1 242.407 2.123 10 0 BEAEMP COc1cccc(C[N@H+]2C[C@H](C[NH3+])CC[C@H]2C)c1 ZINC000042427412 175261898 /nfs/dbraw/zinc/26/18/98/175261898.db2.gz ZMPJNYHXFVCQHX-OCCSQVGLSA-N 2 1 248.370 2.254 10 0 BEAEMP COc1cccc([C@H](C)[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c1 ZINC000131455936 175292508 /nfs/dbraw/zinc/29/25/08/175292508.db2.gz MHULZIDFKNLKME-RWMBFGLXSA-N 2 1 248.370 2.425 10 0 BEAEMP COc1ccccc1C[N@@H+](C)[C@@H](C)CCC[NH3+] ZINC000052542273 175325409 /nfs/dbraw/zinc/32/54/09/175325409.db2.gz QOCKSKHHRDOPCU-LBPRGKRZSA-N 2 1 236.359 2.254 10 0 BEAEMP COc1ccccc1[C@@H]([NH3+])Cn1c[nH+]c(C)c1C ZINC000051926539 175347045 /nfs/dbraw/zinc/34/70/45/175347045.db2.gz TWGYJPJBIOHGOA-ZDUSSCGKSA-N 2 1 245.326 2.209 10 0 BEAEMP C[C@@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)C(C)(C)C ZINC000309590591 175917397 /nfs/dbraw/zinc/91/73/97/175917397.db2.gz UQGVLJGMZVYRLK-GHMZBOCLSA-N 2 1 221.348 2.222 10 0 BEAEMP C[C@@H](c1ccc(N)cc1)[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071187844 176015266 /nfs/dbraw/zinc/01/52/66/176015266.db2.gz CVCYWZXLXHMQST-QWHCGFSZSA-N 2 1 247.386 2.213 10 0 BEAEMP C[C@@H](c1ccc(N)cc1)[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071187844 176015268 /nfs/dbraw/zinc/01/52/68/176015268.db2.gz CVCYWZXLXHMQST-QWHCGFSZSA-N 2 1 247.386 2.213 10 0 BEAEMP C[C@@H](c1ccc(N)cc1)[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071187844 176015269 /nfs/dbraw/zinc/01/52/69/176015269.db2.gz CVCYWZXLXHMQST-QWHCGFSZSA-N 2 1 247.386 2.213 10 0 BEAEMP C[C@@H](c1ccco1)[N@@H+]1CCC[NH2+][C@H](C)CC1 ZINC000044390335 176033303 /nfs/dbraw/zinc/03/33/03/176033303.db2.gz QJHOVKVZUNURQL-NEPJUHHUSA-N 2 1 222.332 2.415 10 0 BEAEMP C[C@@H](c1ccco1)[N@H+]1CCC[NH2+][C@H](C)CC1 ZINC000044390335 176033304 /nfs/dbraw/zinc/03/33/04/176033304.db2.gz QJHOVKVZUNURQL-NEPJUHHUSA-N 2 1 222.332 2.415 10 0 BEAEMP C[C@@H](c1ccco1)[N@H+]1CCC[NH2+]C[C@@H](C)C1 ZINC000044390341 176033398 /nfs/dbraw/zinc/03/33/98/176033398.db2.gz DSSPEHQGLUFOIK-NEPJUHHUSA-N 2 1 222.332 2.272 10 0 BEAEMP C[C@@H]1CCCC[N@H+]1Cc1occc1C[NH3+] ZINC000052378734 176074209 /nfs/dbraw/zinc/07/42/09/176074209.db2.gz MFIZNEJPRAFIIP-SNVBAGLBSA-N 2 1 208.305 2.113 10 0 BEAEMP C[C@@H]1CCC[N@@H+](CC2(C[NH3+])CCCC2)C1 ZINC000049814818 176096125 /nfs/dbraw/zinc/09/61/25/176096125.db2.gz LOEKWAYYIMJADW-GFCCVEGCSA-N 2 1 210.365 2.237 10 0 BEAEMP C[C@@H]1CCC[N@@H+](Cc2cc(C[NH3+])co2)[C@@H]1C ZINC000052373392 176099691 /nfs/dbraw/zinc/09/96/91/176099691.db2.gz MNVKJJMTJIJLCW-GHMZBOCLSA-N 2 1 222.332 2.359 10 0 BEAEMP C[C@@H]1CCC[C@H]([N@@H+](C)C[C@]2(C)CC[NH2+]C2)C1 ZINC000062911747 176140180 /nfs/dbraw/zinc/14/01/80/176140180.db2.gz OIVQKZLRNVMPBW-HZSPNIEDSA-N 2 1 224.392 2.497 10 0 BEAEMP C[C@@H]1C[N@H+](C2CCCCCC2)CC[C@@H]1[NH3+] ZINC000049710501 176282922 /nfs/dbraw/zinc/28/29/22/176282922.db2.gz ITVZDERBBYHQQN-YPMHNXCESA-N 2 1 210.365 2.378 10 0 BEAEMP C[C@@H]1C[N@@H+](CCCC[NH2+]C(C)(C)C)CCCO1 ZINC000061935693 176288127 /nfs/dbraw/zinc/28/81/27/176288127.db2.gz BTKFYQNCBKZETO-CYBMUJFWSA-N 2 1 242.407 2.266 10 0 BEAEMP C[C@@H]1C[N@@H+](CCc2ccccc2F)CC[C@@H]1[NH3+] ZINC000049708292 176293742 /nfs/dbraw/zinc/29/37/42/176293742.db2.gz FBMJLPXAUYOKQV-RISCZKNCSA-N 2 1 236.334 2.037 10 0 BEAEMP C[C@@H]1C[N@H+]([C@@H]2CCCCC[C@@H]2C[NH3+])[C@H](C)CO1 ZINC000035782905 176315081 /nfs/dbraw/zinc/31/50/81/176315081.db2.gz VVVZGZHVDRBCPR-AAVRWANBSA-N 2 1 240.391 2.003 10 0 BEAEMP C[C@H](c1ccc(N)cc1)[N@@H+](C)CCC[NH+](C)C ZINC000104196892 177034541 /nfs/dbraw/zinc/03/45/41/177034541.db2.gz SMHMOZBSNTVCIB-GFCCVEGCSA-N 2 1 235.375 2.213 10 0 BEAEMP C[C@H](c1ccc[nH]1)[N@@H+](C)CC1CC[NH2+]CC1 ZINC000095068241 177035897 /nfs/dbraw/zinc/03/58/97/177035897.db2.gz GXOLAQTTYSWKQZ-LLVKDONJSA-N 2 1 221.348 2.007 10 0 BEAEMP C[C@H](c1ccccc1)[N@@H+](C)CCCC[NH3+] ZINC000049813584 177037730 /nfs/dbraw/zinc/03/77/30/177037730.db2.gz XFWUPIBDJSXDJL-GFCCVEGCSA-N 2 1 206.333 2.418 10 0 BEAEMP C[C@H]1CCC[N@H+]1CCCOc1ccc(C[NH3+])cc1 ZINC000037910086 177109319 /nfs/dbraw/zinc/10/93/19/177109319.db2.gz VGYIBIWODOFPLB-ZDUSSCGKSA-N 2 1 248.370 2.399 10 0 BEAEMP C[C@@H]1[C@H]([NH3+])[C@@H](C)CC[N@@H+]1Cc1ccccc1 ZINC000068592926 177165412 /nfs/dbraw/zinc/16/54/12/177165412.db2.gz ZWBZAXCNTIOTLB-OUCADQQQSA-N 2 1 218.344 2.244 10 0 BEAEMP C[C@@H]1[C@H]([NH3+])[C@@H](C)CC[N@H+]1Cc1ccccc1 ZINC000068592926 177165414 /nfs/dbraw/zinc/16/54/14/177165414.db2.gz ZWBZAXCNTIOTLB-OUCADQQQSA-N 2 1 218.344 2.244 10 0 BEAEMP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1ccccc1F ZINC000042427281 177200710 /nfs/dbraw/zinc/20/07/10/177200710.db2.gz MGADHQSYXNFFFM-NWDGAFQWSA-N 2 1 236.334 2.385 10 0 BEAEMP C[C@H]1C[N@@H+](CCCc2ccccc2)CCC[NH2+]1 ZINC000062615837 177249539 /nfs/dbraw/zinc/24/95/39/177249539.db2.gz HHPZMYYSXMIEDX-AWEZNQCLSA-N 2 1 232.371 2.303 10 0 BEAEMP C[C@H]1C[NH2+]C[C@@H]1C[N@H+](C)Cc1cccc(F)c1 ZINC000104213268 177285841 /nfs/dbraw/zinc/28/58/41/177285841.db2.gz LYEOSURBGWKXKR-WCQYABFASA-N 2 1 236.334 2.113 10 0 BEAEMP C[C@H]1C[NH2+]C[C@@H]1C[N@@H+](C)Cc1cccc(F)c1 ZINC000104213268 177285842 /nfs/dbraw/zinc/28/58/42/177285842.db2.gz LYEOSURBGWKXKR-WCQYABFASA-N 2 1 236.334 2.113 10 0 BEAEMP C[C@@H]1C[NH2+]C[C@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000049664210 177286103 /nfs/dbraw/zinc/28/61/03/177286103.db2.gz CPQBZFAVDHALIR-OKILXGFUSA-N 2 1 232.371 2.364 10 0 BEAEMP C[C@@H]1[C@@H](C)C[C@@H]([NH3+])C[N@@H+]1Cc1ccccc1 ZINC000068593187 177327953 /nfs/dbraw/zinc/32/79/53/177327953.db2.gz NVIRYIHNKWLTFW-OUCADQQQSA-N 2 1 218.344 2.244 10 0 BEAEMP C[C@@H]1[C@@H](C)C[C@@H]([NH3+])C[N@H+]1Cc1ccccc1 ZINC000068593187 177327954 /nfs/dbraw/zinc/32/79/54/177327954.db2.gz NVIRYIHNKWLTFW-OUCADQQQSA-N 2 1 218.344 2.244 10 0 BEAEMP C[C@H]1C[C@H]([NH3+])[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000068593042 177364671 /nfs/dbraw/zinc/36/46/71/177364671.db2.gz MPGWATXLKGPBOP-OBJOEFQTSA-N 2 1 218.344 2.244 10 0 BEAEMP C[C@H]1C[C@H]([NH3+])[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000068593042 177364672 /nfs/dbraw/zinc/36/46/72/177364672.db2.gz MPGWATXLKGPBOP-OBJOEFQTSA-N 2 1 218.344 2.244 10 0 BEAEMP C[C@H]1C[C@H]([NH2+]CCc2ccsc2)CC[N@H+]1C ZINC000122953916 177370461 /nfs/dbraw/zinc/37/04/61/177370461.db2.gz TYJWKBLICMHHOE-WCQYABFASA-N 2 1 238.400 2.363 10 0 BEAEMP Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)o1 ZINC000400353901 226341704 /nfs/dbraw/zinc/34/17/04/226341704.db2.gz ANJKMOQCIAHGTE-SRVKXCTJSA-N 2 1 222.332 2.237 10 0 BEAEMP CC1(C)CC(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)C1 ZINC000530220269 323217986 /nfs/dbraw/zinc/21/79/86/323217986.db2.gz TZBWJFCBNDHOCP-YNEHKIRRSA-N 2 1 222.376 2.092 10 0 BEAEMP CCC(F)(F)C(C)(C)C[NH2+][C@@H]1CC[NH2+]C1 ZINC000530221073 323218440 /nfs/dbraw/zinc/21/84/40/323218440.db2.gz WNWMOUSWAJCBEC-SECBINFHSA-N 2 1 220.307 2.009 10 0 BEAEMP CCOC[C@H](C)[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000132069167 325197460 /nfs/dbraw/zinc/19/74/60/325197460.db2.gz SEDYFUOBIWWWDQ-BPNCWPANSA-N 2 1 234.343 2.146 10 0 BEAEMP CCC[C@H](C)[N@H+]1CCCC12CC[NH2+]CC2 ZINC000757126771 582501619 /nfs/dbraw/zinc/50/16/19/582501619.db2.gz GZWIFCKGUNYTAK-LBPRGKRZSA-N 2 1 210.365 2.393 10 0 BEAEMP C[C@H]([NH2+]Cc1ccccc1Cl)[C@@H]1CC[NH2+]C1 ZINC000400764473 533934636 /nfs/dbraw/zinc/93/46/36/533934636.db2.gz YYLMASQBKLDUNB-WDEREUQCSA-N 2 1 238.762 2.428 10 0 BEAEMP C[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)[C@H]1[NH3+] ZINC000238860549 524514185 /nfs/dbraw/zinc/51/41/85/524514185.db2.gz ZWBZAXCNTIOTLB-BZPMIXESSA-N 2 1 218.344 2.244 10 0 BEAEMP C[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)[C@H]1[NH3+] ZINC000238860549 524514187 /nfs/dbraw/zinc/51/41/87/524514187.db2.gz ZWBZAXCNTIOTLB-BZPMIXESSA-N 2 1 218.344 2.244 10 0 BEAEMP CCC[N@H+]1CC[C@@H]([NH2+]C(C)(C)C)[C@@H](C)C1 ZINC000226858018 534948565 /nfs/dbraw/zinc/94/85/65/534948565.db2.gz UQUJSJQFNFSMPR-NWDGAFQWSA-N 2 1 212.381 2.495 10 0 BEAEMP CCC[N@H+]1CC[C@@H]([NH2+]CC(C)C)[C@@H](C)C1 ZINC000226858245 534949894 /nfs/dbraw/zinc/94/98/94/534949894.db2.gz RRNQJHWAOWCJDL-QWHCGFSZSA-N 2 1 212.381 2.352 10 0 BEAEMP CCn1cccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250326811 536101885 /nfs/dbraw/zinc/10/18/85/536101885.db2.gz AINGGRJQAHCIHI-KBPBESRZSA-N 2 1 247.386 2.224 10 0 BEAEMP CCn1cccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250326811 536101887 /nfs/dbraw/zinc/10/18/87/536101887.db2.gz AINGGRJQAHCIHI-KBPBESRZSA-N 2 1 247.386 2.224 10 0 BEAEMP C[C@@]1([NH3+])C[NH2+]C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000725262770 538089450 /nfs/dbraw/zinc/08/94/50/538089450.db2.gz MGJHRSRVZQLENI-WDEREUQCSA-N 2 1 244.260 2.110 10 0 BEAEMP C[C@]1([NH3+])C[NH2+]C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000725262768 538089705 /nfs/dbraw/zinc/08/97/05/538089705.db2.gz MGJHRSRVZQLENI-QWRGUYRKSA-N 2 1 244.260 2.110 10 0 BEAEMP CC(C)C[N@H+]1CCC[C@@]12CC[C@@H](C)[NH2+]C2 ZINC000757124091 582499287 /nfs/dbraw/zinc/49/92/87/582499287.db2.gz BUOKJDINPYODGE-OLZOCXBDSA-N 2 1 210.365 2.249 10 0 BEAEMP C[C@H](C1CC1)[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC000757128036 582503228 /nfs/dbraw/zinc/50/32/28/582503228.db2.gz IOIBDOYHUDMPHC-DGCLKSJQSA-N 2 1 208.349 2.003 10 0 BEAEMP C[C@@H](C1CC1)[N@H+]1CCC[C@]12CN1CCC2CC1 ZINC000757132385 582506748 /nfs/dbraw/zinc/50/67/48/582506748.db2.gz QYZFLWZPVYOHKN-SWLSCSKDSA-N 2 1 234.387 2.345 10 0 BEAEMP C[C@H](C1CC1)[N@H+]1CCC[C@]12CCC[NH2+][C@@H]2C ZINC000757132969 582509210 /nfs/dbraw/zinc/50/92/10/582509210.db2.gz SHXNQGQFOJWUPZ-BZPMIXESSA-N 2 1 222.376 2.391 10 0 BEAEMP C[C@@H]1C[C@H]1[N@H+]1CCC[C@]12CC[C@@H](C)[NH2+]C2 ZINC000757131075 586426437 /nfs/dbraw/zinc/42/64/37/586426437.db2.gz PETFBWQQYSALJD-FDYHWXHSSA-N 2 1 208.349 2.001 10 0 BEAEMP C[C@@H]1[NH2+][C@@H](c2cccc3cc[nH]c32)CC[C@H]1[NH3+] ZINC000757218276 586441881 /nfs/dbraw/zinc/44/18/81/586441881.db2.gz UUIAZCQENYZUNX-ZWKOPEQDSA-N 2 1 229.327 2.308 10 0 BEAEMP CC1(c2ccc([C@@H]3CC[C@H]([NH3+])C[NH2+]3)cc2)CC1 ZINC000757219276 586442365 /nfs/dbraw/zinc/44/23/65/586442365.db2.gz WKFQANWOPLQQNT-KBPBESRZSA-N 2 1 230.355 2.490 10 0 BEAEMP CCC[N@@H+](CCC[NH2+]C1CC1)CC1CC1 ZINC000042491035 637273341 /nfs/dbraw/zinc/27/33/41/637273341.db2.gz XYZZPUFKWKVAGX-UHFFFAOYSA-N 2 1 210.365 2.251 10 0 BEAEMP CCCC[N@@H+](CCC[NH2+]C1CC1)C1CC1 ZINC000042491060 637273686 /nfs/dbraw/zinc/27/36/86/637273686.db2.gz UXCADDUTBRHZCZ-UHFFFAOYSA-N 2 1 210.365 2.393 10 0 BEAEMP CC(C)[N@@H+](CCC[NH2+]C1CC1)CC1CC1 ZINC000042590338 641556151 /nfs/dbraw/zinc/55/61/51/641556151.db2.gz CCHLBNVOTDLKNU-UHFFFAOYSA-N 2 1 210.365 2.249 10 0 BEAEMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCc1cccc(F)c1 ZINC000049711359 643220904 /nfs/dbraw/zinc/22/09/04/643220904.db2.gz XGKLTGZLTJZDDX-BXUZGUMPSA-N 2 1 236.334 2.180 10 0 BEAEMP C=C/C=C/CC[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000713735611 712470281 /nfs/dbraw/zinc/47/02/81/712470281.db2.gz PVWRQKWSDKOBDA-MUBLQREKSA-N 2 1 208.349 2.193 10 0 BEAEMP C[C@H](C[N@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21)C(C)(C)C ZINC000720932633 712880027 /nfs/dbraw/zinc/88/00/27/712880027.db2.gz WPTAARIXFWXDNM-AGIUHOORSA-N 2 1 224.392 2.495 10 0 BEAEMP