smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+]CCC(=O)NCC[NH+]1CCOCC1 ZINC000011755121 181367823 /nfs/dbraw/zinc/36/78/23/181367823.db2.gz AZDIWEBJFGCSES-UHFFFAOYSA-N 2 2 201.270 -1.216 20 0 BAADLP C[C@H]([NH3+])C(=O)NCC[NH+]1CCOCC1 ZINC000011957365 346885508 /nfs/dbraw/zinc/88/55/08/346885508.db2.gz JCZCFMWLFJSLGL-QMMMGPOBSA-N 2 2 201.270 -1.218 20 0 BAADLP C[C@@H]([NH3+])C(=O)NCC[NH+]1CCOCC1 ZINC000019475162 411044191 /nfs/dbraw/zinc/04/41/91/411044191.db2.gz JCZCFMWLFJSLGL-MRVPVSSYSA-N 2 2 201.270 -1.218 20 0 BAADLP COCC[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000020036327 174331221 /nfs/dbraw/zinc/33/12/21/174331221.db2.gz BBRZPRMBEWGISS-UHFFFAOYSA-N 2 2 215.297 -1.004 20 0 BAADLP C[NH+]1CCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000020433785 173070992 /nfs/dbraw/zinc/07/09/92/173070992.db2.gz VHKJGGZWTYPLPN-DTWKUNHWSA-N 2 2 213.281 -1.517 20 0 BAADLP C[NH+]1CCN(C(=O)C(=O)N2CC[NH2+]CC2)CC1 ZINC000026476102 173063778 /nfs/dbraw/zinc/06/37/78/173063778.db2.gz MRWCNGLAEIHIHO-UHFFFAOYSA-N 2 2 240.307 -1.808 20 0 BAADLP O=C([C@H]1CSC[NH2+]1)N1CC[NH+](CCO)CC1 ZINC000035609646 356705207 /nfs/dbraw/zinc/70/52/07/356705207.db2.gz UASSCERFVBEXPX-SECBINFHSA-N 2 2 245.348 -1.215 20 0 BAADLP CC[C@H]([NH3+])C(=O)N1CC[NH+](CCO)CC1 ZINC000036871685 384463036 /nfs/dbraw/zinc/46/30/36/384463036.db2.gz FBYXQNKHFNSISH-VIFPVBQESA-N 2 2 215.297 -1.140 20 0 BAADLP CC[C@@H]([NH3+])C(=O)N1CC[NH+](CCO)CC1 ZINC000036871686 384461403 /nfs/dbraw/zinc/46/14/03/384461403.db2.gz FBYXQNKHFNSISH-SECBINFHSA-N 2 2 215.297 -1.140 20 0 BAADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C[NH3+] ZINC000037008663 342916155 /nfs/dbraw/zinc/91/61/55/342916155.db2.gz LAENRUWANABZRA-QMMMGPOBSA-N 2 2 201.270 -1.218 20 0 BAADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C[NH3+] ZINC000037008664 342915920 /nfs/dbraw/zinc/91/59/20/342915920.db2.gz LAENRUWANABZRA-MRVPVSSYSA-N 2 2 201.270 -1.218 20 0 BAADLP CN(C)C(=O)C[NH+]1CCN(CC[NH3+])CC1 ZINC000037039588 172366242 /nfs/dbraw/zinc/36/62/42/172366242.db2.gz CUOSYVCVMWGYBE-UHFFFAOYSA-N 2 2 214.313 -1.349 20 0 BAADLP CNC(=O)C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000037270971 173268002 /nfs/dbraw/zinc/26/80/02/173268002.db2.gz PRPBASWTYDHYKA-UHFFFAOYSA-N 2 2 228.296 -1.904 20 0 BAADLP CNC(=O)C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000037270971 173268001 /nfs/dbraw/zinc/26/80/01/173268001.db2.gz PRPBASWTYDHYKA-UHFFFAOYSA-N 2 2 228.296 -1.904 20 0 BAADLP CN(C)C(=O)C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000037270977 344498522 /nfs/dbraw/zinc/49/85/22/344498522.db2.gz IISOTDZHPTYCDF-UHFFFAOYSA-N 2 2 242.323 -1.562 20 0 BAADLP CN(C)C(=O)C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000037270977 344498520 /nfs/dbraw/zinc/49/85/20/344498520.db2.gz IISOTDZHPTYCDF-UHFFFAOYSA-N 2 2 242.323 -1.562 20 0 BAADLP O=C(C[NH2+]C1CC1)N1CC[NH+](CCO)CC1 ZINC000037476957 358071295 /nfs/dbraw/zinc/07/12/95/358071295.db2.gz IXTDWNPUXMFKMY-UHFFFAOYSA-N 2 2 227.308 -1.125 20 0 BAADLP CN(C)C(=O)C[NH+]1CCN(C(=O)CC[NH3+])CC1 ZINC000037800574 172366064 /nfs/dbraw/zinc/36/60/64/172366064.db2.gz XMBYPXBGGIHBGD-UHFFFAOYSA-N 2 2 242.323 -1.432 20 0 BAADLP CCNC(=O)C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031505 170054124 /nfs/dbraw/zinc/05/41/24/170054124.db2.gz OINHOCKBEMPKQH-UHFFFAOYSA-N 2 2 242.323 -1.514 20 0 BAADLP CCNC(=O)C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031505 170054122 /nfs/dbraw/zinc/05/41/22/170054122.db2.gz OINHOCKBEMPKQH-UHFFFAOYSA-N 2 2 242.323 -1.514 20 0 BAADLP C[C@@H](C(N)=O)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031563 350300264 /nfs/dbraw/zinc/30/02/64/350300264.db2.gz FWPVFYUKIAMKPW-QMMMGPOBSA-N 2 2 228.296 -1.776 20 0 BAADLP C[C@@H](C(N)=O)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031563 350300263 /nfs/dbraw/zinc/30/02/63/350300263.db2.gz FWPVFYUKIAMKPW-QMMMGPOBSA-N 2 2 228.296 -1.776 20 0 BAADLP C[C@H](C(N)=O)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031564 350300016 /nfs/dbraw/zinc/30/00/16/350300016.db2.gz FWPVFYUKIAMKPW-MRVPVSSYSA-N 2 2 228.296 -1.776 20 0 BAADLP C[C@H](C(N)=O)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031564 350300013 /nfs/dbraw/zinc/30/00/13/350300013.db2.gz FWPVFYUKIAMKPW-MRVPVSSYSA-N 2 2 228.296 -1.776 20 0 BAADLP C[NH+]1CCN(c2nc(N)[nH+]c(N)n2)CC1 ZINC000039420146 343126194 /nfs/dbraw/zinc/12/61/94/343126194.db2.gz HRQGDUJSSJGYLC-UHFFFAOYSA-N 2 2 209.257 -1.212 20 0 BAADLP NC(=O)NC(=O)CC[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000041029294 181252460 /nfs/dbraw/zinc/25/24/60/181252460.db2.gz MQIINHYIMNCELK-SSDOTTSWSA-N 2 2 214.269 -1.006 20 0 BAADLP NC(=O)NC(=O)CC[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000041029294 181252458 /nfs/dbraw/zinc/25/24/58/181252458.db2.gz MQIINHYIMNCELK-SSDOTTSWSA-N 2 2 214.269 -1.006 20 0 BAADLP O=C(CN1CC[NH2+]CC1)NCCn1cc[nH+]c1 ZINC000042373566 410996819 /nfs/dbraw/zinc/99/68/19/410996819.db2.gz BHFRCQQEGZZWNU-UHFFFAOYSA-N 2 2 237.307 -1.096 20 0 BAADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NCC[NH3+] ZINC000042602170 358353204 /nfs/dbraw/zinc/35/32/04/358353204.db2.gz YTWRYLKYSMTEII-UHFFFAOYSA-N 2 2 230.312 -1.482 20 0 BAADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NCC[NH3+] ZINC000042602170 358353201 /nfs/dbraw/zinc/35/32/01/358353201.db2.gz YTWRYLKYSMTEII-UHFFFAOYSA-N 2 2 230.312 -1.482 20 0 BAADLP C[NH+]1CCN(C(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC000043707384 173069842 /nfs/dbraw/zinc/06/98/42/173069842.db2.gz JCPRLPHZPJCEMN-VIFPVBQESA-N 2 2 213.281 -1.251 20 0 BAADLP C[NH+]1CCN(C(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000043707385 173071457 /nfs/dbraw/zinc/07/14/57/173071457.db2.gz JCPRLPHZPJCEMN-SECBINFHSA-N 2 2 213.281 -1.251 20 0 BAADLP O=C(NCC[NH+]1CCOCC1)[C@@H]1C[NH2+]CCO1 ZINC000043707707 182186366 /nfs/dbraw/zinc/18/63/66/182186366.db2.gz HHXXLFBETOGEIH-JTQLQIEISA-N 2 2 243.307 -1.577 20 0 BAADLP O=C(NCC[NH+]1CCOCC1)[C@H]1C[NH2+]CCO1 ZINC000043707708 182186533 /nfs/dbraw/zinc/18/65/33/182186533.db2.gz HHXXLFBETOGEIH-SNVBAGLBSA-N 2 2 243.307 -1.577 20 0 BAADLP O=C(NCCn1cc[nH+]c1)[C@@H]1C[NH2+]CCO1 ZINC000043801203 182215753 /nfs/dbraw/zinc/21/57/53/182215753.db2.gz VCWPCAXIQKCZKA-VIFPVBQESA-N 2 2 224.264 -1.012 20 0 BAADLP O=C(NCCn1cc[nH+]c1)[C@H]1C[NH2+]CCO1 ZINC000043801206 182216901 /nfs/dbraw/zinc/21/69/01/182216901.db2.gz VCWPCAXIQKCZKA-SECBINFHSA-N 2 2 224.264 -1.012 20 0 BAADLP C[C@@H](C[NH3+])C(=O)N1CC[NH+](CCO)CC1 ZINC000044802271 640464543 /nfs/dbraw/zinc/46/45/43/640464543.db2.gz QSQAKRBPXODTMC-VIFPVBQESA-N 2 2 215.297 -1.282 20 0 BAADLP C[C@H](C[NH3+])C(=O)N1CC[NH+](CCO)CC1 ZINC000044802273 640465059 /nfs/dbraw/zinc/46/50/59/640465059.db2.gz QSQAKRBPXODTMC-SECBINFHSA-N 2 2 215.297 -1.282 20 0 BAADLP C[N@@H+](CCO)CC(=O)N1CC[NH+](C)CC1 ZINC000049633764 384680815 /nfs/dbraw/zinc/68/08/15/384680815.db2.gz FHWXXYHSBWRWGH-UHFFFAOYSA-N 2 2 215.297 -1.316 20 0 BAADLP C[N@H+](CCO)CC(=O)N1CC[NH+](C)CC1 ZINC000049633764 384680809 /nfs/dbraw/zinc/68/08/09/384680809.db2.gz FHWXXYHSBWRWGH-UHFFFAOYSA-N 2 2 215.297 -1.316 20 0 BAADLP C[NH+]1CCN(C(=O)C[NH+](CCO)CCO)CC1 ZINC000049753602 173067752 /nfs/dbraw/zinc/06/77/52/173067752.db2.gz OSORZWVJUGETBT-UHFFFAOYSA-N 2 2 245.323 -1.953 20 0 BAADLP CNC(=O)NC(=O)CC[N@H+]1CC[C@H]([NH3+])C1 ZINC000050243116 173286033 /nfs/dbraw/zinc/28/60/33/173286033.db2.gz OFVVCFGJKILTAT-ZETCQYMHSA-N 2 2 214.269 -1.135 20 0 BAADLP CNC(=O)NC(=O)CC[N@@H+]1CC[C@H]([NH3+])C1 ZINC000050243116 173286032 /nfs/dbraw/zinc/28/60/32/173286032.db2.gz OFVVCFGJKILTAT-ZETCQYMHSA-N 2 2 214.269 -1.135 20 0 BAADLP CNC(=O)NC(=O)CC[N@H+]1CC[C@@H]([NH3+])C1 ZINC000050243117 173286103 /nfs/dbraw/zinc/28/61/03/173286103.db2.gz OFVVCFGJKILTAT-SSDOTTSWSA-N 2 2 214.269 -1.135 20 0 BAADLP CNC(=O)NC(=O)CC[N@@H+]1CC[C@@H]([NH3+])C1 ZINC000050243117 173286102 /nfs/dbraw/zinc/28/61/02/173286102.db2.gz OFVVCFGJKILTAT-SSDOTTSWSA-N 2 2 214.269 -1.135 20 0 BAADLP CNC(=O)NC(=O)C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050247307 173286863 /nfs/dbraw/zinc/28/68/63/173286863.db2.gz VSDBBBZBCKMDHH-SSDOTTSWSA-N 2 2 214.269 -1.277 20 0 BAADLP CNC(=O)NC(=O)C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000050247307 173286862 /nfs/dbraw/zinc/28/68/62/173286862.db2.gz VSDBBBZBCKMDHH-SSDOTTSWSA-N 2 2 214.269 -1.277 20 0 BAADLP CNC(=O)NC(=O)C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000050247309 173287337 /nfs/dbraw/zinc/28/73/37/173287337.db2.gz VSDBBBZBCKMDHH-ZETCQYMHSA-N 2 2 214.269 -1.277 20 0 BAADLP CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000050247309 173287336 /nfs/dbraw/zinc/28/73/36/173287336.db2.gz VSDBBBZBCKMDHH-ZETCQYMHSA-N 2 2 214.269 -1.277 20 0 BAADLP [NH3+][C@@H]1C[C@@H]1C(=O)NCC[NH+]1CCOCC1 ZINC000050456680 343022064 /nfs/dbraw/zinc/02/20/64/343022064.db2.gz IFNJXXCFEAEKTC-DTWKUNHWSA-N 2 2 213.281 -1.218 20 0 BAADLP [NH3+][C@@H]1C[C@@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000050458581 386674447 /nfs/dbraw/zinc/67/44/47/386674447.db2.gz RKBIMIQEXXOUQR-DTWKUNHWSA-N 2 2 213.281 -1.530 20 0 BAADLP C[NH+]1CCN(C(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000051666388 173066154 /nfs/dbraw/zinc/06/61/54/173066154.db2.gz RMNJCQGASBTQOH-UHFFFAOYSA-N 2 2 240.307 -1.808 20 0 BAADLP O=C(CC[N@H+]1CCNC(=O)C1)N1CC[NH2+]CC1 ZINC000053298536 387022587 /nfs/dbraw/zinc/02/25/87/387022587.db2.gz OOKUXBOCWZQWEE-UHFFFAOYSA-N 2 2 240.307 -1.760 20 0 BAADLP O=C(CC[N@@H+]1CCNC(=O)C1)N1CC[NH2+]CC1 ZINC000053298536 387022583 /nfs/dbraw/zinc/02/25/83/387022583.db2.gz OOKUXBOCWZQWEE-UHFFFAOYSA-N 2 2 240.307 -1.760 20 0 BAADLP C[NH2+][C@@H](C)C(=O)N1CC[NH+](CCO)CC1 ZINC000054072141 398023236 /nfs/dbraw/zinc/02/32/36/398023236.db2.gz TWGOZXFWCPVMFS-VIFPVBQESA-N 2 2 215.297 -1.269 20 0 BAADLP CC[C@@H](C(N)=O)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000061678252 349384557 /nfs/dbraw/zinc/38/45/57/349384557.db2.gz JREFGSCKEKMMDN-VIFPVBQESA-N 2 2 242.323 -1.386 20 0 BAADLP CC[C@@H](C(N)=O)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000061678252 349384554 /nfs/dbraw/zinc/38/45/54/349384554.db2.gz JREFGSCKEKMMDN-VIFPVBQESA-N 2 2 242.323 -1.386 20 0 BAADLP CC[C@H](C(N)=O)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000061678253 349384787 /nfs/dbraw/zinc/38/47/87/349384787.db2.gz JREFGSCKEKMMDN-SECBINFHSA-N 2 2 242.323 -1.386 20 0 BAADLP CC[C@H](C(N)=O)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000061678253 349384784 /nfs/dbraw/zinc/38/47/84/349384784.db2.gz JREFGSCKEKMMDN-SECBINFHSA-N 2 2 242.323 -1.386 20 0 BAADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](O)C2)CC1 ZINC000061709101 358936517 /nfs/dbraw/zinc/93/65/17/358936517.db2.gz ZGOVHMKUHQOYGS-JTQLQIEISA-N 2 2 227.308 -1.173 20 0 BAADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](O)C2)CC1 ZINC000061709101 358936513 /nfs/dbraw/zinc/93/65/13/358936513.db2.gz ZGOVHMKUHQOYGS-JTQLQIEISA-N 2 2 227.308 -1.173 20 0 BAADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](O)C2)CC1 ZINC000061709102 387845573 /nfs/dbraw/zinc/84/55/73/387845573.db2.gz ZGOVHMKUHQOYGS-SNVBAGLBSA-N 2 2 227.308 -1.173 20 0 BAADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000061709102 387845568 /nfs/dbraw/zinc/84/55/68/387845568.db2.gz ZGOVHMKUHQOYGS-SNVBAGLBSA-N 2 2 227.308 -1.173 20 0 BAADLP O=C([C@@H]1CC[NH2+]C1)N1CC[NH+](CCO)CC1 ZINC000062112797 386503182 /nfs/dbraw/zinc/50/31/82/386503182.db2.gz HQEIATUGKWYWFH-SNVBAGLBSA-N 2 2 227.308 -1.268 20 0 BAADLP O=C([C@H]1CC[NH2+]C1)N1CC[NH+](CCO)CC1 ZINC000062112798 386502567 /nfs/dbraw/zinc/50/25/67/386502567.db2.gz HQEIATUGKWYWFH-JTQLQIEISA-N 2 2 227.308 -1.268 20 0 BAADLP CNC(=O)NC(=O)C[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000070799723 173369416 /nfs/dbraw/zinc/36/94/16/173369416.db2.gz VGHCPGDRWUNTLZ-QMMMGPOBSA-N 2 2 228.296 -1.017 20 0 BAADLP CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000070799723 173369415 /nfs/dbraw/zinc/36/94/15/173369415.db2.gz VGHCPGDRWUNTLZ-QMMMGPOBSA-N 2 2 228.296 -1.017 20 0 BAADLP CNC(=O)NC(=O)C[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC000070799724 173380536 /nfs/dbraw/zinc/38/05/36/173380536.db2.gz VGHCPGDRWUNTLZ-MRVPVSSYSA-N 2 2 228.296 -1.017 20 0 BAADLP CNC(=O)NC(=O)C[N@@H+]1CC[C@H](C[NH2+]C)C1 ZINC000070799724 173380535 /nfs/dbraw/zinc/38/05/35/173380535.db2.gz VGHCPGDRWUNTLZ-MRVPVSSYSA-N 2 2 228.296 -1.017 20 0 BAADLP COC(=O)C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000070800532 343114731 /nfs/dbraw/zinc/11/47/31/343114731.db2.gz RRVFBLKAFLVTHX-UHFFFAOYSA-N 2 2 215.297 -1.004 20 0 BAADLP COC(=O)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000070800532 343114729 /nfs/dbraw/zinc/11/47/29/343114729.db2.gz RRVFBLKAFLVTHX-UHFFFAOYSA-N 2 2 215.297 -1.004 20 0 BAADLP C[N@@H+](CCC(=O)NC(N)=O)[C@@H]1CC[NH2+]C1 ZINC000070894821 383957783 /nfs/dbraw/zinc/95/77/83/383957783.db2.gz VQRUOOHTPHMTON-SSDOTTSWSA-N 2 2 214.269 -1.135 20 0 BAADLP C[N@H+](CCC(=O)NC(N)=O)[C@@H]1CC[NH2+]C1 ZINC000070894821 383957780 /nfs/dbraw/zinc/95/77/80/383957780.db2.gz VQRUOOHTPHMTON-SSDOTTSWSA-N 2 2 214.269 -1.135 20 0 BAADLP C[N@@H+](CCC(=O)NC(N)=O)[C@H]1CC[NH2+]C1 ZINC000070894828 383957602 /nfs/dbraw/zinc/95/76/02/383957602.db2.gz VQRUOOHTPHMTON-ZETCQYMHSA-N 2 2 214.269 -1.135 20 0 BAADLP C[N@H+](CCC(=O)NC(N)=O)[C@H]1CC[NH2+]C1 ZINC000070894828 383957597 /nfs/dbraw/zinc/95/75/97/383957597.db2.gz VQRUOOHTPHMTON-ZETCQYMHSA-N 2 2 214.269 -1.135 20 0 BAADLP CN(CC[NH+]1CCOCC1)C(=O)C[NH3+] ZINC000077297066 488162264 /nfs/dbraw/zinc/16/22/64/488162264.db2.gz QJAOHNFKLLWHKK-UHFFFAOYSA-N 2 2 201.270 -1.264 20 0 BAADLP C[NH2+]CC(=O)N(C)CC[NH+]1CCOCC1 ZINC000077307425 173323643 /nfs/dbraw/zinc/32/36/43/173323643.db2.gz DQEOQAXHJVSITD-UHFFFAOYSA-N 2 2 215.297 -1.004 20 0 BAADLP C[C@@H]1C(=O)NCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000082475526 362025115 /nfs/dbraw/zinc/02/51/15/362025115.db2.gz FHPQSGIFRNSNFO-SNVBAGLBSA-N 2 2 226.324 -1.288 20 0 BAADLP C[C@@H]1C(=O)NCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000082475526 362025111 /nfs/dbraw/zinc/02/51/11/362025111.db2.gz FHPQSGIFRNSNFO-SNVBAGLBSA-N 2 2 226.324 -1.288 20 0 BAADLP C[C@H]1C(=O)NCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000082475527 362025018 /nfs/dbraw/zinc/02/50/18/362025018.db2.gz FHPQSGIFRNSNFO-JTQLQIEISA-N 2 2 226.324 -1.288 20 0 BAADLP C[C@H]1C(=O)NCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000082475527 362025015 /nfs/dbraw/zinc/02/50/15/362025015.db2.gz FHPQSGIFRNSNFO-JTQLQIEISA-N 2 2 226.324 -1.288 20 0 BAADLP [NH3+]C1CC[NH+](CC(=O)N2CC[NH2+]CC2)CC1 ZINC000082652575 181343662 /nfs/dbraw/zinc/34/36/62/181343662.db2.gz UELWWMBMKFIESL-UHFFFAOYSA-N 3 2 226.324 -1.159 20 0 BAADLP [NH3+][C@@H]1CC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000082652590 388125896 /nfs/dbraw/zinc/12/58/96/388125896.db2.gz HXYJOFCEFUGMAU-SNVBAGLBSA-N 3 2 226.324 -1.159 20 0 BAADLP [NH3+][C@@H]1CC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000082652590 388125893 /nfs/dbraw/zinc/12/58/93/388125893.db2.gz HXYJOFCEFUGMAU-SNVBAGLBSA-N 3 2 226.324 -1.159 20 0 BAADLP [NH3+][C@H]1CC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000082652591 388125433 /nfs/dbraw/zinc/12/54/33/388125433.db2.gz HXYJOFCEFUGMAU-JTQLQIEISA-N 3 2 226.324 -1.159 20 0 BAADLP [NH3+][C@H]1CC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000082652591 388125431 /nfs/dbraw/zinc/12/54/31/388125431.db2.gz HXYJOFCEFUGMAU-JTQLQIEISA-N 3 2 226.324 -1.159 20 0 BAADLP CN1CC[N@@H+](CCN2CC[NH2+]CC2)CC1=O ZINC000082774870 362152808 /nfs/dbraw/zinc/15/28/08/362152808.db2.gz DQEMYRPOWQTJBM-UHFFFAOYSA-N 2 2 226.324 -1.334 20 0 BAADLP CN1CC[N@H+](CCN2CC[NH2+]CC2)CC1=O ZINC000082774870 362152799 /nfs/dbraw/zinc/15/27/99/362152799.db2.gz DQEMYRPOWQTJBM-UHFFFAOYSA-N 2 2 226.324 -1.334 20 0 BAADLP [NH3+]C1(C(=O)NCC[NH+]2CCOCC2)CC1 ZINC000083347445 181326235 /nfs/dbraw/zinc/32/62/35/181326235.db2.gz MLVMGQRJTAUYFL-UHFFFAOYSA-N 2 2 213.281 -1.074 20 0 BAADLP COC[C@H]([NH3+])C(=O)NCCC[NH+]1CCOCC1 ZINC000083374200 385965967 /nfs/dbraw/zinc/96/59/67/385965967.db2.gz JDTVWIFWGUTMSU-JTQLQIEISA-N 2 2 245.323 -1.201 20 0 BAADLP OCC(CO)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000083695318 487700412 /nfs/dbraw/zinc/70/04/12/487700412.db2.gz WDNTVBOZYWAALV-SNVBAGLBSA-N 2 2 218.297 -1.614 20 0 BAADLP OCC(CO)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000083695321 487929237 /nfs/dbraw/zinc/92/92/37/487929237.db2.gz WDNTVBOZYWAALV-JTQLQIEISA-N 2 2 218.297 -1.614 20 0 BAADLP C[NH+]1CCN(C(=O)C[NH2+]C(CO)CO)CC1 ZINC000083695432 352422394 /nfs/dbraw/zinc/42/23/94/352422394.db2.gz CUBABOBNWYLFOK-UHFFFAOYSA-N 2 2 231.296 -2.297 20 0 BAADLP [NH3+]C1(C(=O)N2CC[NH+](CCO)CC2)CC1 ZINC000083834178 384335946 /nfs/dbraw/zinc/33/59/46/384335946.db2.gz BGVMXXLYMZKZRB-UHFFFAOYSA-N 2 2 213.281 -1.386 20 0 BAADLP C[N@H+]1CCOC[C@@H]1CNC(=O)CC[NH3+] ZINC000083885772 487957211 /nfs/dbraw/zinc/95/72/11/487957211.db2.gz RGHBDCBOWKJYCK-QMMMGPOBSA-N 2 2 201.270 -1.218 20 0 BAADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)CC[NH3+] ZINC000083885772 487957207 /nfs/dbraw/zinc/95/72/07/487957207.db2.gz RGHBDCBOWKJYCK-QMMMGPOBSA-N 2 2 201.270 -1.218 20 0 BAADLP C[N@H+]1CCOC[C@H]1CNC(=O)CC[NH3+] ZINC000083885773 487957664 /nfs/dbraw/zinc/95/76/64/487957664.db2.gz RGHBDCBOWKJYCK-MRVPVSSYSA-N 2 2 201.270 -1.218 20 0 BAADLP C[N@@H+]1CCOC[C@H]1CNC(=O)CC[NH3+] ZINC000083885773 487957661 /nfs/dbraw/zinc/95/76/61/487957661.db2.gz RGHBDCBOWKJYCK-MRVPVSSYSA-N 2 2 201.270 -1.218 20 0 BAADLP C[NH2+]CC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000083885776 487957502 /nfs/dbraw/zinc/95/75/02/487957502.db2.gz HFWVCIWIXPANLW-MRVPVSSYSA-N 2 2 201.270 -1.347 20 0 BAADLP C[NH2+]CC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000083885776 487957498 /nfs/dbraw/zinc/95/74/98/487957498.db2.gz HFWVCIWIXPANLW-MRVPVSSYSA-N 2 2 201.270 -1.347 20 0 BAADLP C[NH2+]CC(=O)NC[C@H]1COCC[N@H+]1C ZINC000083885777 487957397 /nfs/dbraw/zinc/95/73/97/487957397.db2.gz HFWVCIWIXPANLW-QMMMGPOBSA-N 2 2 201.270 -1.347 20 0 BAADLP C[NH2+]CC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000083885777 487957391 /nfs/dbraw/zinc/95/73/91/487957391.db2.gz HFWVCIWIXPANLW-QMMMGPOBSA-N 2 2 201.270 -1.347 20 0 BAADLP O=C(C1C[NH2+]C1)N1CC[NH+](CCO)CC1 ZINC000084408824 135247664 /nfs/dbraw/zinc/24/76/64/135247664.db2.gz YYCYBGAUCCJOSO-UHFFFAOYSA-N 2 2 213.281 -1.658 20 0 BAADLP CN(C)c1[nH+]cc(C[NH2+]C[C@H](O)CO)n1C ZINC000085247231 134256312 /nfs/dbraw/zinc/25/63/12/134256312.db2.gz MNOSFMZHABGNPY-VIFPVBQESA-N 2 2 228.296 -1.071 20 0 BAADLP CN(C)c1[nH+]cc(C[NH2+]C[C@@H](O)CO)n1C ZINC000085247234 134256365 /nfs/dbraw/zinc/25/63/65/134256365.db2.gz MNOSFMZHABGNPY-SECBINFHSA-N 2 2 228.296 -1.071 20 0 BAADLP C[N@H+]1CCO[C@H](CNC(=O)C2C[NH2+]C2)C1 ZINC000085790581 343606286 /nfs/dbraw/zinc/60/62/86/343606286.db2.gz FBOWGOKXWXXRBE-SECBINFHSA-N 2 2 213.281 -1.347 20 0 BAADLP C[N@@H+]1CCO[C@H](CNC(=O)C2C[NH2+]C2)C1 ZINC000085790581 343606283 /nfs/dbraw/zinc/60/62/83/343606283.db2.gz FBOWGOKXWXXRBE-SECBINFHSA-N 2 2 213.281 -1.347 20 0 BAADLP C[N@H+]1CCO[C@@H](CNC(=O)C2C[NH2+]C2)C1 ZINC000085790583 343606343 /nfs/dbraw/zinc/60/63/43/343606343.db2.gz FBOWGOKXWXXRBE-VIFPVBQESA-N 2 2 213.281 -1.347 20 0 BAADLP C[N@@H+]1CCO[C@@H](CNC(=O)C2C[NH2+]C2)C1 ZINC000085790583 343606340 /nfs/dbraw/zinc/60/63/40/343606340.db2.gz FBOWGOKXWXXRBE-VIFPVBQESA-N 2 2 213.281 -1.347 20 0 BAADLP C[NH+](C)CC(=O)N1CC[NH+](CCO)CC1 ZINC000085940459 387507919 /nfs/dbraw/zinc/50/79/19/387507919.db2.gz NEFIGFSONWKBHR-UHFFFAOYSA-N 2 2 215.297 -1.316 20 0 BAADLP C[NH2+]C[C@H](C)C(=O)N1CC[NH+](CCO)CC1 ZINC000086065618 388098871 /nfs/dbraw/zinc/09/88/71/388098871.db2.gz FREXWCZOHDFKHS-JTQLQIEISA-N 2 2 229.324 -1.022 20 0 BAADLP C[NH2+]C[C@@H](C)C(=O)N1CC[NH+](CCO)CC1 ZINC000086065622 135489723 /nfs/dbraw/zinc/48/97/23/135489723.db2.gz FREXWCZOHDFKHS-SNVBAGLBSA-N 2 2 229.324 -1.022 20 0 BAADLP [NH3+]CCOCC(=O)NCC[NH+]1CCOCC1 ZINC000086434220 487503059 /nfs/dbraw/zinc/50/30/59/487503059.db2.gz YERBBOPYJCAAJO-UHFFFAOYSA-N 2 2 231.296 -1.590 20 0 BAADLP COCC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000087613536 388709195 /nfs/dbraw/zinc/70/91/95/388709195.db2.gz GUCQDEKIPZLBRN-MRVPVSSYSA-N 2 2 201.270 -1.266 20 0 BAADLP COCC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000087613536 388709193 /nfs/dbraw/zinc/70/91/93/388709193.db2.gz GUCQDEKIPZLBRN-MRVPVSSYSA-N 2 2 201.270 -1.266 20 0 BAADLP COCC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000087613537 388709591 /nfs/dbraw/zinc/70/95/91/388709591.db2.gz GUCQDEKIPZLBRN-QMMMGPOBSA-N 2 2 201.270 -1.266 20 0 BAADLP COCC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000087613537 388709588 /nfs/dbraw/zinc/70/95/88/388709588.db2.gz GUCQDEKIPZLBRN-QMMMGPOBSA-N 2 2 201.270 -1.266 20 0 BAADLP CC(=O)NCC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000087613598 367920083 /nfs/dbraw/zinc/92/00/83/367920083.db2.gz PUEPJJVQCSDHML-VIFPVBQESA-N 2 2 228.296 -1.776 20 0 BAADLP CC(=O)NCC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000087613598 367920079 /nfs/dbraw/zinc/92/00/79/367920079.db2.gz PUEPJJVQCSDHML-VIFPVBQESA-N 2 2 228.296 -1.776 20 0 BAADLP CC(=O)NCC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000087613599 367919794 /nfs/dbraw/zinc/91/97/94/367919794.db2.gz PUEPJJVQCSDHML-SECBINFHSA-N 2 2 228.296 -1.776 20 0 BAADLP CC(=O)NCC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000087613599 367919788 /nfs/dbraw/zinc/91/97/88/367919788.db2.gz PUEPJJVQCSDHML-SECBINFHSA-N 2 2 228.296 -1.776 20 0 BAADLP CNC(=O)NC(=O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000088300982 359946575 /nfs/dbraw/zinc/94/65/75/359946575.db2.gz LDYBFWCZGAVMGN-OCAPTIKFSA-N 2 2 226.280 -1.407 20 0 BAADLP CNC(=O)NC(=O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000088300982 359946570 /nfs/dbraw/zinc/94/65/70/359946570.db2.gz LDYBFWCZGAVMGN-OCAPTIKFSA-N 2 2 226.280 -1.407 20 0 BAADLP CNC(=O)NC(=O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000088300984 356660812 /nfs/dbraw/zinc/66/08/12/356660812.db2.gz LDYBFWCZGAVMGN-HTQZYQBOSA-N 2 2 226.280 -1.407 20 0 BAADLP CNC(=O)NC(=O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000088300985 356660759 /nfs/dbraw/zinc/66/07/59/356660759.db2.gz LDYBFWCZGAVMGN-YUMQZZPRSA-N 2 2 226.280 -1.407 20 0 BAADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000088300987 359947211 /nfs/dbraw/zinc/94/72/11/359947211.db2.gz MKHNKCYOGMEXML-BIIVOSGPSA-N 2 2 226.280 -1.279 20 0 BAADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000088300987 359947204 /nfs/dbraw/zinc/94/72/04/359947204.db2.gz MKHNKCYOGMEXML-BIIVOSGPSA-N 2 2 226.280 -1.279 20 0 BAADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000088300990 359946681 /nfs/dbraw/zinc/94/66/81/359946681.db2.gz MKHNKCYOGMEXML-PRJMDXOYSA-N 2 2 226.280 -1.279 20 0 BAADLP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000088300990 359946675 /nfs/dbraw/zinc/94/66/75/359946675.db2.gz MKHNKCYOGMEXML-PRJMDXOYSA-N 2 2 226.280 -1.279 20 0 BAADLP C[C@H](C(=O)NC(N)=O)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000088300995 356660647 /nfs/dbraw/zinc/66/06/47/356660647.db2.gz MKHNKCYOGMEXML-BWZBUEFSSA-N 2 2 226.280 -1.279 20 0 BAADLP COCC[NH2+]CC(=O)NCC[NH+]1CCOCC1 ZINC000092495156 174331216 /nfs/dbraw/zinc/33/12/16/174331216.db2.gz IKJQRWRUZGUZAJ-UHFFFAOYSA-N 2 2 245.323 -1.329 20 0 BAADLP COCC[NH2+]CC(=O)N1CC[NH+](CCO)CC1 ZINC000092495186 174331413 /nfs/dbraw/zinc/33/14/13/174331413.db2.gz PIGYHAQLWAZIBP-UHFFFAOYSA-N 2 2 245.323 -1.641 20 0 BAADLP [NH3+]C1CC[NH+](CC(=O)N2CCNC(=O)C2)CC1 ZINC000092713533 181344026 /nfs/dbraw/zinc/34/40/26/181344026.db2.gz KQXVWTZLQAVCNU-UHFFFAOYSA-N 2 2 240.307 -1.632 20 0 BAADLP C[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H](O)[C@@H](O)C2)CC1 ZINC000093092528 384161702 /nfs/dbraw/zinc/16/17/02/384161702.db2.gz HHMDCNNPRHXPFX-AOOOYVTPSA-N 2 2 243.307 -2.202 20 0 BAADLP C[NH+]1CCN(C(=O)C[N@H+]2C[C@@H](O)[C@@H](O)C2)CC1 ZINC000093092528 384161698 /nfs/dbraw/zinc/16/16/98/384161698.db2.gz HHMDCNNPRHXPFX-AOOOYVTPSA-N 2 2 243.307 -2.202 20 0 BAADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)COCC[NH3+] ZINC000093230749 488144180 /nfs/dbraw/zinc/14/41/80/488144180.db2.gz QWERQOVNZYOOHT-JTQLQIEISA-N 2 2 245.323 -1.201 20 0 BAADLP C[C@H](C[NH+]1CCOCC1)NC(=O)COCC[NH3+] ZINC000093230750 488144381 /nfs/dbraw/zinc/14/43/81/488144381.db2.gz QWERQOVNZYOOHT-SNVBAGLBSA-N 2 2 245.323 -1.201 20 0 BAADLP O=C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)N1CCOCC1 ZINC000107574203 384980472 /nfs/dbraw/zinc/98/04/72/384980472.db2.gz ZXYZLOICDPRPMB-PHIMTYICSA-N 2 2 239.319 -1.004 20 0 BAADLP O=C(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)N1CCOCC1 ZINC000107574203 384980469 /nfs/dbraw/zinc/98/04/69/384980469.db2.gz ZXYZLOICDPRPMB-PHIMTYICSA-N 2 2 239.319 -1.004 20 0 BAADLP O=C(C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)N1CCOCC1 ZINC000107574206 345538314 /nfs/dbraw/zinc/53/83/14/345538314.db2.gz ZXYZLOICDPRPMB-GHMZBOCLSA-N 2 2 239.319 -1.004 20 0 BAADLP O=C(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)N1CCOCC1 ZINC000107574210 344484364 /nfs/dbraw/zinc/48/43/64/344484364.db2.gz ZXYZLOICDPRPMB-QWRGUYRKSA-N 2 2 239.319 -1.004 20 0 BAADLP CCNC(=O)NC(=O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107575493 170076173 /nfs/dbraw/zinc/07/61/73/170076173.db2.gz FCGSJTKRJOBVPT-DTORHVGOSA-N 2 2 240.307 -1.017 20 0 BAADLP CCNC(=O)NC(=O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107575493 170076171 /nfs/dbraw/zinc/07/61/71/170076171.db2.gz FCGSJTKRJOBVPT-DTORHVGOSA-N 2 2 240.307 -1.017 20 0 BAADLP CCNC(=O)NC(=O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000107575495 345555365 /nfs/dbraw/zinc/55/53/65/345555365.db2.gz FCGSJTKRJOBVPT-RKDXNWHRSA-N 2 2 240.307 -1.017 20 0 BAADLP CCNC(=O)NC(=O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000107575499 369353762 /nfs/dbraw/zinc/35/37/62/369353762.db2.gz FCGSJTKRJOBVPT-IUCAKERBSA-N 2 2 240.307 -1.017 20 0 BAADLP CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107575504 173288774 /nfs/dbraw/zinc/28/87/74/173288774.db2.gz QGYKXZVQFBJCDE-XHNCKOQMSA-N 2 2 240.307 -1.018 20 0 BAADLP CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107575504 173288773 /nfs/dbraw/zinc/28/87/73/173288773.db2.gz QGYKXZVQFBJCDE-XHNCKOQMSA-N 2 2 240.307 -1.018 20 0 BAADLP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107575510 173288462 /nfs/dbraw/zinc/28/84/62/173288462.db2.gz QGYKXZVQFBJCDE-HLTSFMKQSA-N 2 2 240.307 -1.018 20 0 BAADLP CNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107575510 173288461 /nfs/dbraw/zinc/28/84/61/173288461.db2.gz QGYKXZVQFBJCDE-HLTSFMKQSA-N 2 2 240.307 -1.018 20 0 BAADLP CNC(=O)NC(=O)[C@H](C)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000107575515 369353835 /nfs/dbraw/zinc/35/38/35/369353835.db2.gz QGYKXZVQFBJCDE-DJLDLDEBSA-N 2 2 240.307 -1.018 20 0 BAADLP O=C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)N1CCNC1=O ZINC000107855559 369362846 /nfs/dbraw/zinc/36/28/46/369362846.db2.gz RRDAMZFRLYXQMF-DTORHVGOSA-N 2 2 238.291 -1.311 20 0 BAADLP O=C(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)N1CCNC1=O ZINC000107855559 369362841 /nfs/dbraw/zinc/36/28/41/369362841.db2.gz RRDAMZFRLYXQMF-DTORHVGOSA-N 2 2 238.291 -1.311 20 0 BAADLP O=C(C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)N1CCNC1=O ZINC000107855563 369362617 /nfs/dbraw/zinc/36/26/17/369362617.db2.gz RRDAMZFRLYXQMF-RKDXNWHRSA-N 2 2 238.291 -1.311 20 0 BAADLP O=C(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)N1CCNC1=O ZINC000107855566 369362495 /nfs/dbraw/zinc/36/24/95/369362495.db2.gz RRDAMZFRLYXQMF-IUCAKERBSA-N 2 2 238.291 -1.311 20 0 BAADLP C[N@H+]1CCN(C(=O)Cn2cccn2)[C@H](C[NH3+])C1 ZINC000120779122 387194480 /nfs/dbraw/zinc/19/44/80/387194480.db2.gz OECFIYQSYOLCQD-SNVBAGLBSA-N 2 2 237.307 -1.016 20 0 BAADLP C[N@@H+]1CCN(C(=O)Cn2cccn2)[C@H](C[NH3+])C1 ZINC000120779122 387194475 /nfs/dbraw/zinc/19/44/75/387194475.db2.gz OECFIYQSYOLCQD-SNVBAGLBSA-N 2 2 237.307 -1.016 20 0 BAADLP C[N@H+]1CCN(C(=O)Cn2cccn2)[C@@H](C[NH3+])C1 ZINC000120779274 387193971 /nfs/dbraw/zinc/19/39/71/387193971.db2.gz OECFIYQSYOLCQD-JTQLQIEISA-N 2 2 237.307 -1.016 20 0 BAADLP C[N@@H+]1CCN(C(=O)Cn2cccn2)[C@@H](C[NH3+])C1 ZINC000120779274 387193965 /nfs/dbraw/zinc/19/39/65/387193965.db2.gz OECFIYQSYOLCQD-JTQLQIEISA-N 2 2 237.307 -1.016 20 0 BAADLP C[NH2+]CCCNC(=O)CN1CC[NH2+]CC1=O ZINC000121738926 343273848 /nfs/dbraw/zinc/27/38/48/343273848.db2.gz QHHDTPQKXQLXNG-UHFFFAOYSA-N 2 2 228.296 -1.856 20 0 BAADLP C[C@@H](CC(N)=O)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000122145998 490127251 /nfs/dbraw/zinc/12/72/51/490127251.db2.gz WHSCUOSTYSYIFA-VIFPVBQESA-N 2 2 242.323 -1.386 20 0 BAADLP C[C@H](CC(N)=O)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000122146206 490127421 /nfs/dbraw/zinc/12/74/21/490127421.db2.gz WHSCUOSTYSYIFA-SECBINFHSA-N 2 2 242.323 -1.386 20 0 BAADLP CN(CCNC(=O)C[NH+](C)C)C(=O)C[NH+](C)C ZINC000122420148 324043924 /nfs/dbraw/zinc/04/39/24/324043924.db2.gz PWCYGWNLWIHXCZ-UHFFFAOYSA-N 2 2 244.339 -1.316 20 0 BAADLP C[N@H+]1CCN(C(=O)Cn2cnnn2)[C@H](C[NH3+])C1 ZINC000122613842 343160143 /nfs/dbraw/zinc/16/01/43/343160143.db2.gz VLMCNBKYWLHOQY-MRVPVSSYSA-N 2 2 239.283 -2.226 20 0 BAADLP C[N@@H+]1CCN(C(=O)Cn2cnnn2)[C@H](C[NH3+])C1 ZINC000122613842 343160141 /nfs/dbraw/zinc/16/01/41/343160141.db2.gz VLMCNBKYWLHOQY-MRVPVSSYSA-N 2 2 239.283 -2.226 20 0 BAADLP C[N@H+]1CCN(C(=O)Cn2cnnn2)[C@@H](C[NH3+])C1 ZINC000122614091 343160291 /nfs/dbraw/zinc/16/02/91/343160291.db2.gz VLMCNBKYWLHOQY-QMMMGPOBSA-N 2 2 239.283 -2.226 20 0 BAADLP C[N@@H+]1CCN(C(=O)Cn2cnnn2)[C@@H](C[NH3+])C1 ZINC000122614091 343160290 /nfs/dbraw/zinc/16/02/90/343160290.db2.gz VLMCNBKYWLHOQY-QMMMGPOBSA-N 2 2 239.283 -2.226 20 0 BAADLP C[N@H+]1CCN(C(=O)[C@@H]2CCC(=O)N2)[C@H](C[NH3+])C1 ZINC000122630527 343160579 /nfs/dbraw/zinc/16/05/79/343160579.db2.gz AKJVVFGNUGURKR-BDAKNGLRSA-N 2 2 240.307 -1.634 20 0 BAADLP C[N@@H+]1CCN(C(=O)[C@@H]2CCC(=O)N2)[C@H](C[NH3+])C1 ZINC000122630527 343160577 /nfs/dbraw/zinc/16/05/77/343160577.db2.gz AKJVVFGNUGURKR-BDAKNGLRSA-N 2 2 240.307 -1.634 20 0 BAADLP C[N@H+]1CCN(C(=O)[C@@H]2CCC(=O)N2)[C@@H](C[NH3+])C1 ZINC000122630750 343160863 /nfs/dbraw/zinc/16/08/63/343160863.db2.gz AKJVVFGNUGURKR-IUCAKERBSA-N 2 2 240.307 -1.634 20 0 BAADLP C[N@@H+]1CCN(C(=O)[C@@H]2CCC(=O)N2)[C@@H](C[NH3+])C1 ZINC000122630750 343160861 /nfs/dbraw/zinc/16/08/61/343160861.db2.gz AKJVVFGNUGURKR-IUCAKERBSA-N 2 2 240.307 -1.634 20 0 BAADLP C[N@H+]1CCN(C(=O)Cn2cncn2)[C@H](C[NH3+])C1 ZINC000122638775 411434201 /nfs/dbraw/zinc/43/42/01/411434201.db2.gz HJDMMWOHOKZEPB-SECBINFHSA-N 2 2 238.295 -1.621 20 0 BAADLP C[N@@H+]1CCN(C(=O)Cn2cncn2)[C@H](C[NH3+])C1 ZINC000122638775 411434199 /nfs/dbraw/zinc/43/41/99/411434199.db2.gz HJDMMWOHOKZEPB-SECBINFHSA-N 2 2 238.295 -1.621 20 0 BAADLP C[N@H+]1CCN(C(=O)Cn2cncn2)[C@@H](C[NH3+])C1 ZINC000122639046 411434339 /nfs/dbraw/zinc/43/43/39/411434339.db2.gz HJDMMWOHOKZEPB-VIFPVBQESA-N 2 2 238.295 -1.621 20 0 BAADLP C[N@@H+]1CCN(C(=O)Cn2cncn2)[C@@H](C[NH3+])C1 ZINC000122639046 411434338 /nfs/dbraw/zinc/43/43/38/411434338.db2.gz HJDMMWOHOKZEPB-VIFPVBQESA-N 2 2 238.295 -1.621 20 0 BAADLP C[C@H]([NH3+])[C@@H]1C[N@@H+](CCC(=O)NC(N)=O)CCO1 ZINC000123753585 345014351 /nfs/dbraw/zinc/01/43/51/345014351.db2.gz MOSZOLMJPQSCSR-YUMQZZPRSA-N 2 2 244.295 -1.381 20 0 BAADLP C[C@H]([NH3+])[C@@H]1C[N@H+](CCC(=O)NC(N)=O)CCO1 ZINC000123753585 345014349 /nfs/dbraw/zinc/01/43/49/345014349.db2.gz MOSZOLMJPQSCSR-YUMQZZPRSA-N 2 2 244.295 -1.381 20 0 BAADLP C[C@@H]([NH3+])[C@@H]1C[N@@H+](CCC(=O)NC(N)=O)CCO1 ZINC000123753785 368958059 /nfs/dbraw/zinc/95/80/59/368958059.db2.gz MOSZOLMJPQSCSR-SFYZADRCSA-N 2 2 244.295 -1.381 20 0 BAADLP C[C@@H]([NH3+])[C@@H]1C[N@H+](CCC(=O)NC(N)=O)CCO1 ZINC000123753785 368958057 /nfs/dbraw/zinc/95/80/57/368958057.db2.gz MOSZOLMJPQSCSR-SFYZADRCSA-N 2 2 244.295 -1.381 20 0 BAADLP C[C@H]([NH3+])[C@H]1C[N@@H+](CCC(=O)NC(N)=O)CCO1 ZINC000123754066 345014836 /nfs/dbraw/zinc/01/48/36/345014836.db2.gz MOSZOLMJPQSCSR-JGVFFNPUSA-N 2 2 244.295 -1.381 20 0 BAADLP C[C@H]([NH3+])[C@H]1C[N@H+](CCC(=O)NC(N)=O)CCO1 ZINC000123754066 345014835 /nfs/dbraw/zinc/01/48/35/345014835.db2.gz MOSZOLMJPQSCSR-JGVFFNPUSA-N 2 2 244.295 -1.381 20 0 BAADLP C[C@@H]([NH3+])[C@H]1C[N@@H+](CCC(=O)NC(N)=O)CCO1 ZINC000123754304 371104916 /nfs/dbraw/zinc/10/49/16/371104916.db2.gz MOSZOLMJPQSCSR-HTQZYQBOSA-N 2 2 244.295 -1.381 20 0 BAADLP C[C@@H]([NH3+])[C@H]1C[N@H+](CCC(=O)NC(N)=O)CCO1 ZINC000123754304 371104911 /nfs/dbraw/zinc/10/49/11/371104911.db2.gz MOSZOLMJPQSCSR-HTQZYQBOSA-N 2 2 244.295 -1.381 20 0 BAADLP C[NH2+][C@@H]1CC[N@@H+](CCC(=O)NC(N)=O)C1 ZINC000133152886 384229335 /nfs/dbraw/zinc/22/93/35/384229335.db2.gz AEJVYLDXXUFHSR-SSDOTTSWSA-N 2 2 214.269 -1.135 20 0 BAADLP C[NH2+][C@@H]1CC[N@H+](CCC(=O)NC(N)=O)C1 ZINC000133152886 384229331 /nfs/dbraw/zinc/22/93/31/384229331.db2.gz AEJVYLDXXUFHSR-SSDOTTSWSA-N 2 2 214.269 -1.135 20 0 BAADLP C[NH2+][C@H]1CC[N@@H+](CCC(=O)NC(N)=O)C1 ZINC000133153113 384229460 /nfs/dbraw/zinc/22/94/60/384229460.db2.gz AEJVYLDXXUFHSR-ZETCQYMHSA-N 2 2 214.269 -1.135 20 0 BAADLP C[NH2+][C@H]1CC[N@H+](CCC(=O)NC(N)=O)C1 ZINC000133153113 384229457 /nfs/dbraw/zinc/22/94/57/384229457.db2.gz AEJVYLDXXUFHSR-ZETCQYMHSA-N 2 2 214.269 -1.135 20 0 BAADLP [NH3+]C[C@H]1CCC[N@H+]1CCN1C(=O)CNC1=O ZINC000133247039 386287735 /nfs/dbraw/zinc/28/77/35/386287735.db2.gz WPQIHIWFJOKAKD-MRVPVSSYSA-N 2 2 226.280 -1.039 20 0 BAADLP [NH3+]C[C@H]1CCC[N@@H+]1CCN1C(=O)CNC1=O ZINC000133247039 386287729 /nfs/dbraw/zinc/28/77/29/386287729.db2.gz WPQIHIWFJOKAKD-MRVPVSSYSA-N 2 2 226.280 -1.039 20 0 BAADLP C[C@H]([NH3+])C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000157877814 387878872 /nfs/dbraw/zinc/87/88/72/387878872.db2.gz SREFMEYUQFWGGO-DTWKUNHWSA-N 2 2 212.297 -1.550 20 0 BAADLP C[C@@H]([NH3+])C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000157877964 387879768 /nfs/dbraw/zinc/87/97/68/387879768.db2.gz SREFMEYUQFWGGO-RKDXNWHRSA-N 2 2 212.297 -1.550 20 0 BAADLP C[C@H]([NH3+])C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000157878095 387879717 /nfs/dbraw/zinc/87/97/17/387879717.db2.gz SREFMEYUQFWGGO-IUCAKERBSA-N 2 2 212.297 -1.550 20 0 BAADLP C[C@@H]([NH3+])C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000157878246 387880199 /nfs/dbraw/zinc/88/01/99/387880199.db2.gz SREFMEYUQFWGGO-BDAKNGLRSA-N 2 2 212.297 -1.550 20 0 BAADLP [NH3+][C@@H]1CCCN(C(=O)CN2CC[NH2+]CC2=O)C1 ZINC000158606573 344333343 /nfs/dbraw/zinc/33/33/43/344333343.db2.gz WXTHLDUDLBKGAS-SECBINFHSA-N 2 2 240.307 -1.632 20 0 BAADLP COC[C@@H]([NH3+])C(=O)NCCC[NH+]1CCOCC1 ZINC000159602757 345446020 /nfs/dbraw/zinc/44/60/20/345446020.db2.gz JDTVWIFWGUTMSU-SNVBAGLBSA-N 2 2 245.323 -1.201 20 0 BAADLP C[NH+](C)CCCNC(=O)CN1CC[NH2+]CC1=O ZINC000163399067 388279004 /nfs/dbraw/zinc/27/90/04/388279004.db2.gz LANLPOPUVPYUQJ-UHFFFAOYSA-N 2 2 242.323 -1.514 20 0 BAADLP CNC(=O)NC(=O)CC[N@H+]1CCO[C@H](C[NH3+])C1 ZINC000165024519 385341495 /nfs/dbraw/zinc/34/14/95/385341495.db2.gz SYTMALFAWWJCNN-MRVPVSSYSA-N 2 2 244.295 -1.508 20 0 BAADLP CNC(=O)NC(=O)CC[N@@H+]1CCO[C@H](C[NH3+])C1 ZINC000165024519 385341492 /nfs/dbraw/zinc/34/14/92/385341492.db2.gz SYTMALFAWWJCNN-MRVPVSSYSA-N 2 2 244.295 -1.508 20 0 BAADLP CNC(=O)NC(=O)CC[N@H+]1CCO[C@@H](C[NH3+])C1 ZINC000165024638 385341097 /nfs/dbraw/zinc/34/10/97/385341097.db2.gz SYTMALFAWWJCNN-QMMMGPOBSA-N 2 2 244.295 -1.508 20 0 BAADLP CNC(=O)NC(=O)CC[N@@H+]1CCO[C@@H](C[NH3+])C1 ZINC000165024638 385341091 /nfs/dbraw/zinc/34/10/91/385341091.db2.gz SYTMALFAWWJCNN-QMMMGPOBSA-N 2 2 244.295 -1.508 20 0 BAADLP C[NH+](C)CC(=O)NCC[NH+]1CCOCC1 ZINC000171348897 372538202 /nfs/dbraw/zinc/53/82/02/372538202.db2.gz ZUZSNWXDEACEOZ-UHFFFAOYSA-N 2 2 215.297 -1.004 20 0 BAADLP C[NH+](C)CC(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000179024522 134314480 /nfs/dbraw/zinc/31/44/80/134314480.db2.gz OPSPPGKTNWVGAN-SNVBAGLBSA-N 2 2 226.324 -1.336 20 0 BAADLP C[NH+](C)CC(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000179024531 134314535 /nfs/dbraw/zinc/31/45/35/134314535.db2.gz OPSPPGKTNWVGAN-JTQLQIEISA-N 2 2 226.324 -1.336 20 0 BAADLP [NH3+]CC(F)(F)CNC(=O)[C@H]1COCC[NH2+]1 ZINC000190224756 181356982 /nfs/dbraw/zinc/35/69/82/181356982.db2.gz VVUMPYMVRAHNIZ-ZCFIWIBFSA-N 2 2 223.223 -1.315 20 0 BAADLP [NH3+]CC(F)(F)CNC(=O)[C@@H]1COCC[NH2+]1 ZINC000190224776 181356934 /nfs/dbraw/zinc/35/69/34/181356934.db2.gz VVUMPYMVRAHNIZ-LURJTMIESA-N 2 2 223.223 -1.315 20 0 BAADLP CC[NH+](CCC[N@H+](CC)CC(N)=O)CC(N)=O ZINC000191703510 357800688 /nfs/dbraw/zinc/80/06/88/357800688.db2.gz JSLGXEQJGCKTRM-UHFFFAOYSA-N 2 2 244.339 -1.009 20 0 BAADLP CC[NH+](CCC[N@@H+](CC)CC(N)=O)CC(N)=O ZINC000191703510 357800683 /nfs/dbraw/zinc/80/06/83/357800683.db2.gz JSLGXEQJGCKTRM-UHFFFAOYSA-N 2 2 244.339 -1.009 20 0 BAADLP C[NH2+]CC(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000193136065 356714809 /nfs/dbraw/zinc/71/48/09/356714809.db2.gz NDPIFKXCQMLHBB-SECBINFHSA-N 2 2 212.297 -1.678 20 0 BAADLP C[NH2+]CC(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000193136077 356714733 /nfs/dbraw/zinc/71/47/33/356714733.db2.gz NDPIFKXCQMLHBB-VIFPVBQESA-N 2 2 212.297 -1.678 20 0 BAADLP CC[NH+](CCO)CC(O)C[N@@H+](CC)CCO ZINC000194476227 206091086 /nfs/dbraw/zinc/09/10/86/206091086.db2.gz VOAGJNSRIWFNDT-UHFFFAOYSA-N 2 2 234.340 -1.024 20 0 BAADLP CC[NH+](CCO)CC(O)C[N@H+](CC)CCO ZINC000194476227 206091081 /nfs/dbraw/zinc/09/10/81/206091081.db2.gz VOAGJNSRIWFNDT-UHFFFAOYSA-N 2 2 234.340 -1.024 20 0 BAADLP C[N@H+]1CCN(C(=O)[C@H]2CCC(=O)N2)[C@@H](C[NH3+])C1 ZINC000226293005 358337308 /nfs/dbraw/zinc/33/73/08/358337308.db2.gz AKJVVFGNUGURKR-DTWKUNHWSA-N 2 2 240.307 -1.634 20 0 BAADLP C[N@@H+]1CCN(C(=O)[C@H]2CCC(=O)N2)[C@@H](C[NH3+])C1 ZINC000226293005 358337302 /nfs/dbraw/zinc/33/73/02/358337302.db2.gz AKJVVFGNUGURKR-DTWKUNHWSA-N 2 2 240.307 -1.634 20 0 BAADLP C[N@H+]1CCN(C(=O)[C@H]2CCC(=O)N2)[C@H](C[NH3+])C1 ZINC000226293012 358337720 /nfs/dbraw/zinc/33/77/20/358337720.db2.gz AKJVVFGNUGURKR-RKDXNWHRSA-N 2 2 240.307 -1.634 20 0 BAADLP C[N@@H+]1CCN(C(=O)[C@H]2CCC(=O)N2)[C@H](C[NH3+])C1 ZINC000226293012 358337718 /nfs/dbraw/zinc/33/77/18/358337718.db2.gz AKJVVFGNUGURKR-RKDXNWHRSA-N 2 2 240.307 -1.634 20 0 BAADLP COCCOCC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000226293389 358337181 /nfs/dbraw/zinc/33/71/81/358337181.db2.gz VIMQUXOCHWPCOQ-JTQLQIEISA-N 2 2 245.323 -1.249 20 0 BAADLP COCCOCC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000226293389 358337179 /nfs/dbraw/zinc/33/71/79/358337179.db2.gz VIMQUXOCHWPCOQ-JTQLQIEISA-N 2 2 245.323 -1.249 20 0 BAADLP COCCOCC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000226293397 358337050 /nfs/dbraw/zinc/33/70/50/358337050.db2.gz VIMQUXOCHWPCOQ-SNVBAGLBSA-N 2 2 245.323 -1.249 20 0 BAADLP COCCOCC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000226293397 358337046 /nfs/dbraw/zinc/33/70/46/358337046.db2.gz VIMQUXOCHWPCOQ-SNVBAGLBSA-N 2 2 245.323 -1.249 20 0 BAADLP CO[C@@H](C[NH3+])C(=O)N1CC[NH+](C)CC1 ZINC000227341613 388748276 /nfs/dbraw/zinc/74/82/76/388748276.db2.gz HWWKOWCGQQNPMQ-QMMMGPOBSA-N 2 2 201.270 -1.266 20 0 BAADLP CO[C@H](C[NH3+])C(=O)N1CC[NH+](C)CC1 ZINC000227341620 388748707 /nfs/dbraw/zinc/74/87/07/388748707.db2.gz HWWKOWCGQQNPMQ-MRVPVSSYSA-N 2 2 201.270 -1.266 20 0 BAADLP CO[C@@H](C[NH3+])C(=O)N1CC[NH+](CCO)CC1 ZINC000227349144 385130295 /nfs/dbraw/zinc/13/02/95/385130295.db2.gz FWYWUIXGUDSXST-VIFPVBQESA-N 2 2 231.296 -1.903 20 0 BAADLP CO[C@H](C[NH3+])C(=O)N1CC[NH+](CCO)CC1 ZINC000227349150 385131620 /nfs/dbraw/zinc/13/16/20/385131620.db2.gz FWYWUIXGUDSXST-SECBINFHSA-N 2 2 231.296 -1.903 20 0 BAADLP CO[C@@H](C[NH3+])C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000227353084 385129292 /nfs/dbraw/zinc/12/92/92/385129292.db2.gz LPWVZJJLRAEEAE-UWVGGRQHSA-N 2 2 245.323 -1.203 20 0 BAADLP CO[C@H](C[NH3+])C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000227353093 385129775 /nfs/dbraw/zinc/12/97/75/385129775.db2.gz LPWVZJJLRAEEAE-VHSXEESVSA-N 2 2 245.323 -1.203 20 0 BAADLP CO[C@@H](C[NH3+])C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000227353098 385129658 /nfs/dbraw/zinc/12/96/58/385129658.db2.gz LPWVZJJLRAEEAE-ZJUUUORDSA-N 2 2 245.323 -1.203 20 0 BAADLP CO[C@H](C[NH3+])C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000227353104 385130053 /nfs/dbraw/zinc/13/00/53/385130053.db2.gz LPWVZJJLRAEEAE-NXEZZACHSA-N 2 2 245.323 -1.203 20 0 BAADLP CO[C@@H](C[NH3+])CC(=O)NCC[NH+]1CCOCC1 ZINC000232111364 357644800 /nfs/dbraw/zinc/64/48/00/357644800.db2.gz HETOUZZNRVZKLC-SNVBAGLBSA-N 2 2 245.323 -1.201 20 0 BAADLP CO[C@H](C[NH3+])CC(=O)NCC[NH+]1CCOCC1 ZINC000232111367 357644731 /nfs/dbraw/zinc/64/47/31/357644731.db2.gz HETOUZZNRVZKLC-JTQLQIEISA-N 2 2 245.323 -1.201 20 0 BAADLP Cn1cc(CN2CC[N@@H+](C)C[C@@H]2C[NH3+])nn1 ZINC000234318820 388355743 /nfs/dbraw/zinc/35/57/43/388355743.db2.gz XMSSMSVAWYSYAQ-JTQLQIEISA-N 2 2 224.312 -1.110 20 0 BAADLP Cn1cc(CN2CC[N@H+](C)C[C@@H]2C[NH3+])nn1 ZINC000234318820 388355742 /nfs/dbraw/zinc/35/57/42/388355742.db2.gz XMSSMSVAWYSYAQ-JTQLQIEISA-N 2 2 224.312 -1.110 20 0 BAADLP CN1CC[N@@H+](CCOCC[NH3+])CC1=O ZINC000234339914 323105442 /nfs/dbraw/zinc/10/54/42/323105442.db2.gz SCBZCBAERPRYQN-UHFFFAOYSA-N 2 2 201.270 -1.264 20 0 BAADLP CN1CC[N@H+](CCOCC[NH3+])CC1=O ZINC000234339914 323105441 /nfs/dbraw/zinc/10/54/41/323105441.db2.gz SCBZCBAERPRYQN-UHFFFAOYSA-N 2 2 201.270 -1.264 20 0 BAADLP C[NH+]1CCN(C(=O)C[NH+]2C[C@@H](O)[C@H](O)C2)CC1 ZINC000234353769 384078138 /nfs/dbraw/zinc/07/81/38/384078138.db2.gz HHMDCNNPRHXPFX-NXEZZACHSA-N 2 2 243.307 -2.202 20 0 BAADLP C[NH+]1CCN(C(=O)C[NH+]2C[C@H](O)[C@@H](O)C2)CC1 ZINC000234353807 384077434 /nfs/dbraw/zinc/07/74/34/384077434.db2.gz HHMDCNNPRHXPFX-UWVGGRQHSA-N 2 2 243.307 -2.202 20 0 BAADLP C[C@H]1C(=O)NCC[N@@H+]1CCOCC[NH3+] ZINC000235289364 177059213 /nfs/dbraw/zinc/05/92/13/177059213.db2.gz RINPXGOKAUIIHA-QMMMGPOBSA-N 2 2 201.270 -1.218 20 0 BAADLP C[C@H]1C(=O)NCC[N@H+]1CCOCC[NH3+] ZINC000235289364 177059211 /nfs/dbraw/zinc/05/92/11/177059211.db2.gz RINPXGOKAUIIHA-QMMMGPOBSA-N 2 2 201.270 -1.218 20 0 BAADLP C[C@@H]1C(=O)NCC[N@@H+]1CCOCC[NH3+] ZINC000235602184 176046681 /nfs/dbraw/zinc/04/66/81/176046681.db2.gz RINPXGOKAUIIHA-MRVPVSSYSA-N 2 2 201.270 -1.218 20 0 BAADLP C[C@@H]1C(=O)NCC[N@H+]1CCOCC[NH3+] ZINC000235602184 176046680 /nfs/dbraw/zinc/04/66/80/176046680.db2.gz RINPXGOKAUIIHA-MRVPVSSYSA-N 2 2 201.270 -1.218 20 0 BAADLP CC(C)([NH3+])CNC(=O)CN1CC[NH2+]CC1=O ZINC000236603493 343103451 /nfs/dbraw/zinc/10/34/51/343103451.db2.gz CNQHAQGIFCHTPT-UHFFFAOYSA-N 2 2 228.296 -1.728 20 0 BAADLP CC[N@@H+](C)CCNC(=O)CN1CC[NH2+]CC1=O ZINC000236868112 388384536 /nfs/dbraw/zinc/38/45/36/388384536.db2.gz KQZUMNPKFFKOJJ-UHFFFAOYSA-N 2 2 242.323 -1.514 20 0 BAADLP CC[N@H+](C)CCNC(=O)CN1CC[NH2+]CC1=O ZINC000236868112 388384534 /nfs/dbraw/zinc/38/45/34/388384534.db2.gz KQZUMNPKFFKOJJ-UHFFFAOYSA-N 2 2 242.323 -1.514 20 0 BAADLP CC[NH2+]CCNC(=O)CN1CC[NH2+]CC1=O ZINC000236906476 343114631 /nfs/dbraw/zinc/11/46/31/343114631.db2.gz YAXVUQNALUNFLF-UHFFFAOYSA-N 2 2 228.296 -1.856 20 0 BAADLP CCC[NH2+]CCNC(=O)CN1CC[NH2+]CC1=O ZINC000236918817 169258388 /nfs/dbraw/zinc/25/83/88/169258388.db2.gz JUMYULSDDWNGBP-UHFFFAOYSA-N 2 2 242.323 -1.466 20 0 BAADLP C[NH2+]C[C@H](C)CNC(=O)CN1CC[NH2+]CC1=O ZINC000237116189 343126567 /nfs/dbraw/zinc/12/65/67/343126567.db2.gz IDSLHCSRVOECNX-VIFPVBQESA-N 2 2 242.323 -1.610 20 0 BAADLP C[NH2+]CCN(C)C(=O)CN1CC[NH2+]CC1=O ZINC000237281873 343132813 /nfs/dbraw/zinc/13/28/13/343132813.db2.gz VGMVQFUKXKKRAB-UHFFFAOYSA-N 2 2 228.296 -1.904 20 0 BAADLP C[NH2+]C[C@@H](C)CNC(=O)CN1CC[NH2+]CC1=O ZINC000237288505 343133006 /nfs/dbraw/zinc/13/30/06/343133006.db2.gz IDSLHCSRVOECNX-SECBINFHSA-N 2 2 242.323 -1.610 20 0 BAADLP C[C@@H](C[NH3+])N(C)C(=O)CN1CC[NH2+]CC1=O ZINC000237423070 343138658 /nfs/dbraw/zinc/13/86/58/343138658.db2.gz DIOHGAZXOSDPSX-QMMMGPOBSA-N 2 2 228.296 -1.776 20 0 BAADLP C[C@H](C[NH3+])N(C)C(=O)CN1CC[NH2+]CC1=O ZINC000237605817 343157118 /nfs/dbraw/zinc/15/71/18/343157118.db2.gz DIOHGAZXOSDPSX-MRVPVSSYSA-N 2 2 228.296 -1.776 20 0 BAADLP [NH3+]C[C@H](NC(=O)CN1CC[NH2+]CC1=O)C1CC1 ZINC000237867345 343214470 /nfs/dbraw/zinc/21/44/70/343214470.db2.gz OMCMSRBQXAIPAU-VIFPVBQESA-N 2 2 240.307 -1.728 20 0 BAADLP [NH3+][C@@H](CNC(=O)CN1CC[NH2+]CC1=O)C1CC1 ZINC000237981355 343220463 /nfs/dbraw/zinc/22/04/63/343220463.db2.gz VZUIQJYXIALDBF-VIFPVBQESA-N 2 2 240.307 -1.728 20 0 BAADLP [NH3+]C[C@@H](NC(=O)CN1CC[NH2+]CC1=O)C1CC1 ZINC000238063003 343239401 /nfs/dbraw/zinc/23/94/01/343239401.db2.gz OMCMSRBQXAIPAU-SECBINFHSA-N 2 2 240.307 -1.728 20 0 BAADLP O=C(CN1CC[NH2+]CC1=O)N1CCC[NH2+]CC1 ZINC000238079609 343240337 /nfs/dbraw/zinc/24/03/37/343240337.db2.gz GGEVEIKXKWBCRA-UHFFFAOYSA-N 2 2 240.307 -1.760 20 0 BAADLP O=C(CN1CC[NH2+]CC1=O)N1CC[NH2+]CC1 ZINC000238080378 343240398 /nfs/dbraw/zinc/24/03/98/343240398.db2.gz RBMDBRMBQFWQLW-UHFFFAOYSA-N 2 2 226.280 -2.150 20 0 BAADLP O=C(CN1CC[NH2+]CC1=O)NCC[NH2+]C1CC1 ZINC000238106915 487562742 /nfs/dbraw/zinc/56/27/42/487562742.db2.gz NMBNJAQNNSADPV-UHFFFAOYSA-N 2 2 240.307 -1.714 20 0 BAADLP O=C(CN1CC[NH2+]CC1=O)N[C@@H]1CCC[NH2+]C1 ZINC000238113394 343250643 /nfs/dbraw/zinc/25/06/43/343250643.db2.gz XLWFIIADADAFEX-SECBINFHSA-N 2 2 240.307 -1.714 20 0 BAADLP O=C(CN1CC[NH2+]CC1=O)N[C@H]1CCC[NH2+]C1 ZINC000238115310 343250483 /nfs/dbraw/zinc/25/04/83/343250483.db2.gz XLWFIIADADAFEX-VIFPVBQESA-N 2 2 240.307 -1.714 20 0 BAADLP O=C(N1CC[NH2+]CC1)N1CC[NH+](CCO)CC1 ZINC000243758863 643043008 /nfs/dbraw/zinc/04/30/08/643043008.db2.gz QAPHCLVGICKUQW-UHFFFAOYSA-N 2 2 242.323 -1.379 20 0 BAADLP C[C@H](C(=O)NC(N)=O)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000252453511 370045202 /nfs/dbraw/zinc/04/52/02/370045202.db2.gz MKHNKCYOGMEXML-CSMHCCOUSA-N 2 2 226.280 -1.279 20 0 BAADLP CNC(=O)NC(=O)[C@H](C)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000252453650 345965415 /nfs/dbraw/zinc/96/54/15/345965415.db2.gz QGYKXZVQFBJCDE-CIUDSAMLSA-N 2 2 240.307 -1.018 20 0 BAADLP C[N@H+]1CCO[C@H](CNC(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000252542984 388767831 /nfs/dbraw/zinc/76/78/31/388767831.db2.gz GNAYPPYDZWZKMO-NXEZZACHSA-N 2 2 243.307 -1.578 20 0 BAADLP C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000252542984 388767827 /nfs/dbraw/zinc/76/78/27/388767827.db2.gz GNAYPPYDZWZKMO-NXEZZACHSA-N 2 2 243.307 -1.578 20 0 BAADLP C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000252542985 388768977 /nfs/dbraw/zinc/76/89/77/388768977.db2.gz GNAYPPYDZWZKMO-VHSXEESVSA-N 2 2 243.307 -1.578 20 0 BAADLP C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000252542985 388768975 /nfs/dbraw/zinc/76/89/75/388768975.db2.gz GNAYPPYDZWZKMO-VHSXEESVSA-N 2 2 243.307 -1.578 20 0 BAADLP O=C(NCC[NH+]1CCOCC1)N[C@H]1CC[NH2+]C1 ZINC000258091559 349491507 /nfs/dbraw/zinc/49/15/07/349491507.db2.gz JSDVBDWJKAUKLG-JTQLQIEISA-N 2 2 242.323 -1.020 20 0 BAADLP O=C(NCC[NH+]1CCOCC1)N[C@@H]1CC[NH2+]C1 ZINC000258091561 385537932 /nfs/dbraw/zinc/53/79/32/385537932.db2.gz JSDVBDWJKAUKLG-SNVBAGLBSA-N 2 2 242.323 -1.020 20 0 BAADLP [NH3+]CCN(CCO)CC[NH+]1CCOCC1 ZINC000261531875 135161797 /nfs/dbraw/zinc/16/17/97/135161797.db2.gz IETVMSNCFILFGY-UHFFFAOYSA-N 2 2 217.313 -1.428 20 0 BAADLP CNC(=O)NC(=O)C[NH2+]CC1([NH3+])CCC1 ZINC000261538985 536323875 /nfs/dbraw/zinc/32/38/75/536323875.db2.gz BGUMNSSUCFHEMM-UHFFFAOYSA-N 2 2 214.269 -1.087 20 0 BAADLP O=C([C@H]1CC[NH2+]1)N1CC[NH+](CCO)CC1 ZINC000261540519 135179216 /nfs/dbraw/zinc/17/92/16/135179216.db2.gz FABYWJIZYCNWFI-SECBINFHSA-N 2 2 213.281 -1.515 20 0 BAADLP CS(=O)(=O)NCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000261554160 135193963 /nfs/dbraw/zinc/19/39/63/135193963.db2.gz TZWGSRNXOZGOKZ-DTORHVGOSA-N 2 2 233.337 -1.313 20 0 BAADLP CS(=O)(=O)NCC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000261554160 135193962 /nfs/dbraw/zinc/19/39/62/135193962.db2.gz TZWGSRNXOZGOKZ-DTORHVGOSA-N 2 2 233.337 -1.313 20 0 BAADLP C[C@H](C[NH3+])[N@@H+](C)CCN1C(=O)CNC1=O ZINC000261555758 135108917 /nfs/dbraw/zinc/10/89/17/135108917.db2.gz VGJVHGCFBNJLFM-SSDOTTSWSA-N 2 2 214.269 -1.183 20 0 BAADLP C[C@H](C[NH3+])[N@H+](C)CCN1C(=O)CNC1=O ZINC000261555758 135108915 /nfs/dbraw/zinc/10/89/15/135108915.db2.gz VGJVHGCFBNJLFM-SSDOTTSWSA-N 2 2 214.269 -1.183 20 0 BAADLP C[C@@H](C[NH3+])[N@@H+](C)CCN1C(=O)CNC1=O ZINC000261555759 135194898 /nfs/dbraw/zinc/19/48/98/135194898.db2.gz VGJVHGCFBNJLFM-ZETCQYMHSA-N 2 2 214.269 -1.183 20 0 BAADLP C[C@@H](C[NH3+])[N@H+](C)CCN1C(=O)CNC1=O ZINC000261555759 135194895 /nfs/dbraw/zinc/19/48/95/135194895.db2.gz VGJVHGCFBNJLFM-ZETCQYMHSA-N 2 2 214.269 -1.183 20 0 BAADLP CNC(=O)NC(=O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261556419 135196935 /nfs/dbraw/zinc/19/69/35/135196935.db2.gz QQEIJNJEPHSCGV-BDAKNGLRSA-N 2 2 240.307 -1.017 20 0 BAADLP CNC(=O)NC(=O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261556419 135196934 /nfs/dbraw/zinc/19/69/34/135196934.db2.gz QQEIJNJEPHSCGV-BDAKNGLRSA-N 2 2 240.307 -1.017 20 0 BAADLP CNC(=O)NC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261556420 135197318 /nfs/dbraw/zinc/19/73/18/135197318.db2.gz QQEIJNJEPHSCGV-DTWKUNHWSA-N 2 2 240.307 -1.017 20 0 BAADLP CNC(=O)NC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261556420 135197316 /nfs/dbraw/zinc/19/73/16/135197316.db2.gz QQEIJNJEPHSCGV-DTWKUNHWSA-N 2 2 240.307 -1.017 20 0 BAADLP CNC(=O)NC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261556421 135197200 /nfs/dbraw/zinc/19/72/00/135197200.db2.gz QQEIJNJEPHSCGV-IUCAKERBSA-N 2 2 240.307 -1.017 20 0 BAADLP CNC(=O)NC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261556421 135197199 /nfs/dbraw/zinc/19/71/99/135197199.db2.gz QQEIJNJEPHSCGV-IUCAKERBSA-N 2 2 240.307 -1.017 20 0 BAADLP CNC(=O)NC(=O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261556422 135196906 /nfs/dbraw/zinc/19/69/06/135196906.db2.gz QQEIJNJEPHSCGV-RKDXNWHRSA-N 2 2 240.307 -1.017 20 0 BAADLP CNC(=O)NC(=O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261556422 135196905 /nfs/dbraw/zinc/19/69/05/135196905.db2.gz QQEIJNJEPHSCGV-RKDXNWHRSA-N 2 2 240.307 -1.017 20 0 BAADLP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC[NH3+])C1 ZINC000261597491 135236888 /nfs/dbraw/zinc/23/68/88/135236888.db2.gz ZCRIKWLXDNOLPE-SECBINFHSA-N 3 2 214.313 -1.268 20 0 BAADLP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CC[NH3+])C1 ZINC000261597491 135236886 /nfs/dbraw/zinc/23/68/86/135236886.db2.gz ZCRIKWLXDNOLPE-SECBINFHSA-N 3 2 214.313 -1.268 20 0 BAADLP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CC[NH3+])C1 ZINC000261597492 135236993 /nfs/dbraw/zinc/23/69/93/135236993.db2.gz ZCRIKWLXDNOLPE-VIFPVBQESA-N 3 2 214.313 -1.268 20 0 BAADLP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CC[NH3+])C1 ZINC000261597492 135236991 /nfs/dbraw/zinc/23/69/91/135236991.db2.gz ZCRIKWLXDNOLPE-VIFPVBQESA-N 3 2 214.313 -1.268 20 0 BAADLP C[C@@H]([NH3+])C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000261598122 135237226 /nfs/dbraw/zinc/23/72/26/135237226.db2.gz ZLBOJDWZFYSWKJ-HLTSFMKQSA-N 2 2 213.281 -1.125 20 0 BAADLP C[C@@H]([NH3+])C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000261598122 135237225 /nfs/dbraw/zinc/23/72/25/135237225.db2.gz ZLBOJDWZFYSWKJ-HLTSFMKQSA-N 2 2 213.281 -1.125 20 0 BAADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C[NH3+] ZINC000261598367 135236965 /nfs/dbraw/zinc/23/69/65/135236965.db2.gz ZLJIGJSVUBXBNJ-MRVPVSSYSA-N 2 2 201.270 -1.218 20 0 BAADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C[NH3+] ZINC000261598368 135236918 /nfs/dbraw/zinc/23/69/18/135236918.db2.gz ZLJIGJSVUBXBNJ-QMMMGPOBSA-N 2 2 201.270 -1.218 20 0 BAADLP C[C@@H]([NH3+])C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000261885128 135259923 /nfs/dbraw/zinc/25/99/23/135259923.db2.gz SINVCGSFPRQXBV-MRVPVSSYSA-N 2 2 242.323 -1.258 20 0 BAADLP O=C([C@H]1C[C@H](F)C[NH2+]1)N1CC[NH+](CCO)CC1 ZINC000262036646 135274932 /nfs/dbraw/zinc/27/49/32/135274932.db2.gz KQZULGRLZQZEAS-VHSXEESVSA-N 2 2 245.298 -1.177 20 0 BAADLP COC[C@H]([NH3+])C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000262202341 536861593 /nfs/dbraw/zinc/86/15/93/536861593.db2.gz DEXCVKMOMCHPAN-UWVGGRQHSA-N 2 2 245.323 -1.203 20 0 BAADLP COC[C@H]([NH3+])C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000262202341 536861587 /nfs/dbraw/zinc/86/15/87/536861587.db2.gz DEXCVKMOMCHPAN-UWVGGRQHSA-N 2 2 245.323 -1.203 20 0 BAADLP COC[C@H]([NH3+])C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000262202343 536862527 /nfs/dbraw/zinc/86/25/27/536862527.db2.gz DEXCVKMOMCHPAN-ZJUUUORDSA-N 2 2 245.323 -1.203 20 0 BAADLP COC[C@H]([NH3+])C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000262202343 536862521 /nfs/dbraw/zinc/86/25/21/536862521.db2.gz DEXCVKMOMCHPAN-ZJUUUORDSA-N 2 2 245.323 -1.203 20 0 BAADLP O=C(COC1C[NH2+]C1)N1CC[NH+](CCO)CC1 ZINC000262454422 135300254 /nfs/dbraw/zinc/30/02/54/135300254.db2.gz WIBULCMUYWTGAM-UHFFFAOYSA-N 2 2 243.307 -1.889 20 0 BAADLP CN(CC[NH+]1CCOCC1)C(=O)C1C[NH2+]C1 ZINC000263270106 135343590 /nfs/dbraw/zinc/34/35/90/135343590.db2.gz HZDYJVLCZLCNNK-UHFFFAOYSA-N 2 2 227.308 -1.004 20 0 BAADLP Cn1cc(CN2CC[N@@H+](C)C[C@H]2C[NH3+])nn1 ZINC000300226490 259326969 /nfs/dbraw/zinc/32/69/69/259326969.db2.gz XMSSMSVAWYSYAQ-SNVBAGLBSA-N 2 2 224.312 -1.110 20 0 BAADLP Cn1cc(CN2CC[N@H+](C)C[C@H]2C[NH3+])nn1 ZINC000300226490 259326968 /nfs/dbraw/zinc/32/69/68/259326968.db2.gz XMSSMSVAWYSYAQ-SNVBAGLBSA-N 2 2 224.312 -1.110 20 0 BAADLP CC[N@@H+](CC[NH3+])CCC(=O)NC(N)=O ZINC000300838909 349357394 /nfs/dbraw/zinc/35/73/94/349357394.db2.gz QKEIRZQHRDWAOY-UHFFFAOYSA-N 2 2 202.258 -1.148 20 0 BAADLP CC[N@H+](CC[NH3+])CCC(=O)NC(N)=O ZINC000300838909 349357390 /nfs/dbraw/zinc/35/73/90/349357390.db2.gz QKEIRZQHRDWAOY-UHFFFAOYSA-N 2 2 202.258 -1.148 20 0 BAADLP CC[N@@H+](CC[NH3+])CCN1C(=O)CNC1=O ZINC000300865261 388399817 /nfs/dbraw/zinc/39/98/17/388399817.db2.gz WBBNNIVSCNMFPT-UHFFFAOYSA-N 2 2 214.269 -1.181 20 0 BAADLP CC[N@H+](CC[NH3+])CCN1C(=O)CNC1=O ZINC000300865261 388399816 /nfs/dbraw/zinc/39/98/16/388399816.db2.gz WBBNNIVSCNMFPT-UHFFFAOYSA-N 2 2 214.269 -1.181 20 0 BAADLP NC(=O)NC(=O)C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000304621386 350158910 /nfs/dbraw/zinc/15/89/10/350158910.db2.gz TXJRSSMCBZMGRX-JTQLQIEISA-N 2 2 226.280 -1.133 20 0 BAADLP NC(=O)NC(=O)C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000304621386 350158909 /nfs/dbraw/zinc/15/89/09/350158909.db2.gz TXJRSSMCBZMGRX-JTQLQIEISA-N 2 2 226.280 -1.133 20 0 BAADLP NC(=O)NC(=O)C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000304621387 352735589 /nfs/dbraw/zinc/73/55/89/352735589.db2.gz TXJRSSMCBZMGRX-SNVBAGLBSA-N 2 2 226.280 -1.133 20 0 BAADLP NC(=O)NC(=O)C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000304621387 352735587 /nfs/dbraw/zinc/73/55/87/352735587.db2.gz TXJRSSMCBZMGRX-SNVBAGLBSA-N 2 2 226.280 -1.133 20 0 BAADLP C[N@@H+](CC(=O)NC(N)=O)C1CC([NH3+])C1 ZINC000307453512 353077698 /nfs/dbraw/zinc/07/76/98/353077698.db2.gz VIDWDCGVYQKRHL-UHFFFAOYSA-N 2 2 200.242 -1.397 20 0 BAADLP C[N@H+](CC(=O)NC(N)=O)C1CC([NH3+])C1 ZINC000307453512 353077696 /nfs/dbraw/zinc/07/76/96/353077696.db2.gz VIDWDCGVYQKRHL-UHFFFAOYSA-N 2 2 200.242 -1.397 20 0 BAADLP C[C@H]([NH3+])C[N@@H+](C)CCC(=O)NC(N)=O ZINC000308513309 631323219 /nfs/dbraw/zinc/32/32/19/631323219.db2.gz TVDCWGJSOHBXGC-LURJTMIESA-N 2 2 202.258 -1.150 20 0 BAADLP C[C@H]([NH3+])C[N@H+](C)CCC(=O)NC(N)=O ZINC000308513309 631323215 /nfs/dbraw/zinc/32/32/15/631323215.db2.gz TVDCWGJSOHBXGC-LURJTMIESA-N 2 2 202.258 -1.150 20 0 BAADLP C[C@@H]([NH3+])C[N@@H+](C)CCC(=O)NC(N)=O ZINC000308513310 631409545 /nfs/dbraw/zinc/40/95/45/631409545.db2.gz TVDCWGJSOHBXGC-ZCFIWIBFSA-N 2 2 202.258 -1.150 20 0 BAADLP C[C@@H]([NH3+])C[N@H+](C)CCC(=O)NC(N)=O ZINC000308513310 631409543 /nfs/dbraw/zinc/40/95/43/631409543.db2.gz TVDCWGJSOHBXGC-ZCFIWIBFSA-N 2 2 202.258 -1.150 20 0 BAADLP C[N@@H+](CCC[NH3+])CCNS(C)(=O)=O ZINC000308682005 409902266 /nfs/dbraw/zinc/90/22/66/409902266.db2.gz XWJLLVJUQKXLNO-UHFFFAOYSA-N 2 2 209.315 -1.184 20 0 BAADLP C[N@H+](CCC[NH3+])CCNS(C)(=O)=O ZINC000308682005 409902259 /nfs/dbraw/zinc/90/22/59/409902259.db2.gz XWJLLVJUQKXLNO-UHFFFAOYSA-N 2 2 209.315 -1.184 20 0 BAADLP [NH3+]CCNC(=O)CN1CC[NH2+]CC1=O ZINC000308837391 348771392 /nfs/dbraw/zinc/77/13/92/348771392.db2.gz LVZKMTDXJJIZQC-UHFFFAOYSA-N 2 2 200.242 -2.507 20 0 BAADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+]C(CO)CO ZINC000308878011 487691645 /nfs/dbraw/zinc/69/16/45/487691645.db2.gz UWLYYTYYIJSIIY-JTQLQIEISA-N 2 2 220.313 -1.370 20 0 BAADLP CC(C)[N@H+](C)C[C@@H](O)C[NH2+]C(CO)CO ZINC000308878011 487691636 /nfs/dbraw/zinc/69/16/36/487691636.db2.gz UWLYYTYYIJSIIY-JTQLQIEISA-N 2 2 220.313 -1.370 20 0 BAADLP CC(C)[N@@H+](C)C[C@H](O)C[NH2+]C(CO)CO ZINC000308878014 487570089 /nfs/dbraw/zinc/57/00/89/487570089.db2.gz UWLYYTYYIJSIIY-SNVBAGLBSA-N 2 2 220.313 -1.370 20 0 BAADLP CC(C)[N@H+](C)C[C@H](O)C[NH2+]C(CO)CO ZINC000308878014 487570086 /nfs/dbraw/zinc/57/00/86/487570086.db2.gz UWLYYTYYIJSIIY-SNVBAGLBSA-N 2 2 220.313 -1.370 20 0 BAADLP COCCOCC[N@@H+](CC[NH3+])CCO ZINC000308983808 174353934 /nfs/dbraw/zinc/35/39/34/174353934.db2.gz JCHIWWJRXAMEAR-UHFFFAOYSA-N 2 2 206.286 -1.098 20 0 BAADLP COCCOCC[N@H+](CC[NH3+])CCO ZINC000308983808 174353933 /nfs/dbraw/zinc/35/39/33/174353933.db2.gz JCHIWWJRXAMEAR-UHFFFAOYSA-N 2 2 206.286 -1.098 20 0 BAADLP OCC[NH+](CCO)C[C@H](O)C[NH+]1CCCC1 ZINC000309056117 631833099 /nfs/dbraw/zinc/83/30/99/631833099.db2.gz GCKQFCLFBHHOGR-LLVKDONJSA-N 2 2 232.324 -1.270 20 0 BAADLP OCC[NH+](CCO)C[C@@H](O)C[NH+]1CCCC1 ZINC000309056118 631832524 /nfs/dbraw/zinc/83/25/24/631832524.db2.gz GCKQFCLFBHHOGR-NSHDSACASA-N 2 2 232.324 -1.270 20 0 BAADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000309211532 346990550 /nfs/dbraw/zinc/99/05/50/346990550.db2.gz DQUXCVNWJSOJOT-DCAQKATOSA-N 2 2 232.324 -1.275 20 0 BAADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000309211532 346990548 /nfs/dbraw/zinc/99/05/48/346990548.db2.gz DQUXCVNWJSOJOT-DCAQKATOSA-N 2 2 232.324 -1.275 20 0 BAADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000309211533 487780068 /nfs/dbraw/zinc/78/00/68/487780068.db2.gz DQUXCVNWJSOJOT-GARJFASQSA-N 2 2 232.324 -1.275 20 0 BAADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000309211533 487780065 /nfs/dbraw/zinc/78/00/65/487780065.db2.gz DQUXCVNWJSOJOT-GARJFASQSA-N 2 2 232.324 -1.275 20 0 BAADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](O)[C@@H](O)C1 ZINC000309211533 487780062 /nfs/dbraw/zinc/78/00/62/487780062.db2.gz DQUXCVNWJSOJOT-GARJFASQSA-N 2 2 232.324 -1.275 20 0 BAADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](O)[C@@H](O)C1 ZINC000309211533 487780058 /nfs/dbraw/zinc/78/00/58/487780058.db2.gz DQUXCVNWJSOJOT-GARJFASQSA-N 2 2 232.324 -1.275 20 0 BAADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000309211537 487779988 /nfs/dbraw/zinc/77/99/88/487779988.db2.gz DQUXCVNWJSOJOT-MXWKQRLJSA-N 2 2 232.324 -1.275 20 0 BAADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000309211537 487779984 /nfs/dbraw/zinc/77/99/84/487779984.db2.gz DQUXCVNWJSOJOT-MXWKQRLJSA-N 2 2 232.324 -1.275 20 0 BAADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H](O)[C@@H](O)C1 ZINC000309211537 487779981 /nfs/dbraw/zinc/77/99/81/487779981.db2.gz DQUXCVNWJSOJOT-MXWKQRLJSA-N 2 2 232.324 -1.275 20 0 BAADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H](O)[C@@H](O)C1 ZINC000309211537 487779977 /nfs/dbraw/zinc/77/99/77/487779977.db2.gz DQUXCVNWJSOJOT-MXWKQRLJSA-N 2 2 232.324 -1.275 20 0 BAADLP C[NH2+]CCC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000309421293 323082082 /nfs/dbraw/zinc/08/20/82/323082082.db2.gz JXFMBYBHZQLOQC-SECBINFHSA-N 3 2 214.313 -1.303 20 0 BAADLP C[NH2+]CCC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000309421293 323082081 /nfs/dbraw/zinc/08/20/81/323082081.db2.gz JXFMBYBHZQLOQC-SECBINFHSA-N 3 2 214.313 -1.303 20 0 BAADLP C[NH2+]CCC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000309421296 387670505 /nfs/dbraw/zinc/67/05/05/387670505.db2.gz JXFMBYBHZQLOQC-VIFPVBQESA-N 3 2 214.313 -1.303 20 0 BAADLP C[NH2+]CCC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000309421296 387670500 /nfs/dbraw/zinc/67/05/00/387670500.db2.gz JXFMBYBHZQLOQC-VIFPVBQESA-N 3 2 214.313 -1.303 20 0 BAADLP C[N@@H+](C[C@H](O)C[NH+]1C[C@H](O)[C@@H](O)C1)C1CC1 ZINC000309454652 385592601 /nfs/dbraw/zinc/59/26/01/385592601.db2.gz QPJFSSMRPBZGBS-DCAQKATOSA-N 2 2 230.308 -1.521 20 0 BAADLP C[N@H+](C[C@H](O)C[NH+]1C[C@H](O)[C@@H](O)C1)C1CC1 ZINC000309454652 385592599 /nfs/dbraw/zinc/59/25/99/385592599.db2.gz QPJFSSMRPBZGBS-DCAQKATOSA-N 2 2 230.308 -1.521 20 0 BAADLP C[NH+](C[C@H](O)C[N@@H+]1C[C@@H](O)[C@@H](O)C1)C1CC1 ZINC000309454656 385591370 /nfs/dbraw/zinc/59/13/70/385591370.db2.gz QPJFSSMRPBZGBS-GARJFASQSA-N 2 2 230.308 -1.521 20 0 BAADLP C[NH+](C[C@H](O)C[N@H+]1C[C@@H](O)[C@@H](O)C1)C1CC1 ZINC000309454656 385591365 /nfs/dbraw/zinc/59/13/65/385591365.db2.gz QPJFSSMRPBZGBS-GARJFASQSA-N 2 2 230.308 -1.521 20 0 BAADLP C[N@@H+](C[C@H](O)C[NH+]1C[C@@H](O)[C@@H](O)C1)C1CC1 ZINC000309454656 385591362 /nfs/dbraw/zinc/59/13/62/385591362.db2.gz QPJFSSMRPBZGBS-GARJFASQSA-N 2 2 230.308 -1.521 20 0 BAADLP C[N@H+](C[C@H](O)C[NH+]1C[C@@H](O)[C@@H](O)C1)C1CC1 ZINC000309454656 385591358 /nfs/dbraw/zinc/59/13/58/385591358.db2.gz QPJFSSMRPBZGBS-GARJFASQSA-N 2 2 230.308 -1.521 20 0 BAADLP C[N@@H+](C[C@H](O)C[NH+]1C[C@@H](O)[C@H](O)C1)C1CC1 ZINC000309454662 385592594 /nfs/dbraw/zinc/59/25/94/385592594.db2.gz QPJFSSMRPBZGBS-HBNTYKKESA-N 2 2 230.308 -1.521 20 0 BAADLP C[N@H+](C[C@H](O)C[NH+]1C[C@@H](O)[C@H](O)C1)C1CC1 ZINC000309454662 385592592 /nfs/dbraw/zinc/59/25/92/385592592.db2.gz QPJFSSMRPBZGBS-HBNTYKKESA-N 2 2 230.308 -1.521 20 0 BAADLP C[NH+](C[C@@H](O)C[N@@H+]1C[C@@H](O)[C@@H](O)C1)C1CC1 ZINC000309454666 385592623 /nfs/dbraw/zinc/59/26/23/385592623.db2.gz QPJFSSMRPBZGBS-MXWKQRLJSA-N 2 2 230.308 -1.521 20 0 BAADLP C[NH+](C[C@@H](O)C[N@H+]1C[C@@H](O)[C@@H](O)C1)C1CC1 ZINC000309454666 385592621 /nfs/dbraw/zinc/59/26/21/385592621.db2.gz QPJFSSMRPBZGBS-MXWKQRLJSA-N 2 2 230.308 -1.521 20 0 BAADLP C[N@@H+](C[C@@H](O)C[NH+]1C[C@@H](O)[C@@H](O)C1)C1CC1 ZINC000309454666 385592620 /nfs/dbraw/zinc/59/26/20/385592620.db2.gz QPJFSSMRPBZGBS-MXWKQRLJSA-N 2 2 230.308 -1.521 20 0 BAADLP C[N@H+](C[C@@H](O)C[NH+]1C[C@@H](O)[C@@H](O)C1)C1CC1 ZINC000309454666 385592618 /nfs/dbraw/zinc/59/26/18/385592618.db2.gz QPJFSSMRPBZGBS-MXWKQRLJSA-N 2 2 230.308 -1.521 20 0 BAADLP C[C@@H]([NH3+])CNC(=O)CN1CC[NH2+]CC1=O ZINC000309499056 411151211 /nfs/dbraw/zinc/15/12/11/411151211.db2.gz UMRYGJOGBDSXQT-SSDOTTSWSA-N 2 2 214.269 -2.118 20 0 BAADLP C[C@H]([NH3+])CNC(=O)CN1CC[NH2+]CC1=O ZINC000309499057 411151228 /nfs/dbraw/zinc/15/12/28/411151228.db2.gz UMRYGJOGBDSXQT-ZETCQYMHSA-N 2 2 214.269 -2.118 20 0 BAADLP C[C@@H]([NH3+])CC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000309511759 411157933 /nfs/dbraw/zinc/15/79/33/411157933.db2.gz XMVRFTXDJGEETJ-BDAKNGLRSA-N 3 2 214.313 -1.175 20 0 BAADLP C[C@@H]([NH3+])CC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000309511759 411157930 /nfs/dbraw/zinc/15/79/30/411157930.db2.gz XMVRFTXDJGEETJ-BDAKNGLRSA-N 3 2 214.313 -1.175 20 0 BAADLP C[C@H]([NH3+])CC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000309511760 386015139 /nfs/dbraw/zinc/01/51/39/386015139.db2.gz XMVRFTXDJGEETJ-DTWKUNHWSA-N 3 2 214.313 -1.175 20 0 BAADLP C[C@H]([NH3+])CC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000309511760 386015132 /nfs/dbraw/zinc/01/51/32/386015132.db2.gz XMVRFTXDJGEETJ-DTWKUNHWSA-N 3 2 214.313 -1.175 20 0 BAADLP C[C@H]([NH3+])CC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000309511761 386015411 /nfs/dbraw/zinc/01/54/11/386015411.db2.gz XMVRFTXDJGEETJ-IUCAKERBSA-N 3 2 214.313 -1.175 20 0 BAADLP C[C@H]([NH3+])CC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000309511761 386015406 /nfs/dbraw/zinc/01/54/06/386015406.db2.gz XMVRFTXDJGEETJ-IUCAKERBSA-N 3 2 214.313 -1.175 20 0 BAADLP C[C@@H]([NH3+])CC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000309511762 411157768 /nfs/dbraw/zinc/15/77/68/411157768.db2.gz XMVRFTXDJGEETJ-RKDXNWHRSA-N 3 2 214.313 -1.175 20 0 BAADLP C[C@@H]([NH3+])CC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000309511762 411157764 /nfs/dbraw/zinc/15/77/64/411157764.db2.gz XMVRFTXDJGEETJ-RKDXNWHRSA-N 3 2 214.313 -1.175 20 0 BAADLP C[N@H+]1CCN(C(=O)CC(N)=O)[C@H](C[NH3+])C1 ZINC000309520363 411159709 /nfs/dbraw/zinc/15/97/09/411159709.db2.gz ZWLJSHHYSLTPCA-SSDOTTSWSA-N 2 2 214.269 -2.037 20 0 BAADLP C[N@@H+]1CCN(C(=O)CC(N)=O)[C@H](C[NH3+])C1 ZINC000309520363 411159705 /nfs/dbraw/zinc/15/97/05/411159705.db2.gz ZWLJSHHYSLTPCA-SSDOTTSWSA-N 2 2 214.269 -2.037 20 0 BAADLP C[N@H+]1CCN(C(=O)CC(N)=O)[C@@H](C[NH3+])C1 ZINC000309520364 411159832 /nfs/dbraw/zinc/15/98/32/411159832.db2.gz ZWLJSHHYSLTPCA-ZETCQYMHSA-N 2 2 214.269 -2.037 20 0 BAADLP C[N@@H+]1CCN(C(=O)CC(N)=O)[C@@H](C[NH3+])C1 ZINC000309520364 411159830 /nfs/dbraw/zinc/15/98/30/411159830.db2.gz ZWLJSHHYSLTPCA-ZETCQYMHSA-N 2 2 214.269 -2.037 20 0 BAADLP C[C@H](C[NH3+])NC(=O)CN1CC[NH2+]CC1=O ZINC000309524360 350703351 /nfs/dbraw/zinc/70/33/51/350703351.db2.gz CHMFWDMFDVMLBG-SSDOTTSWSA-N 2 2 214.269 -2.118 20 0 BAADLP C[C@@H]1C[N@@H+](CCNC(=O)C[NH3+])CCO1 ZINC000309534225 350707019 /nfs/dbraw/zinc/70/70/19/350707019.db2.gz DXYWWAQVZREIMD-MRVPVSSYSA-N 2 2 201.270 -1.218 20 0 BAADLP C[C@H]1C[N@@H+](CCNC(=O)C[NH3+])CCO1 ZINC000309534229 350707067 /nfs/dbraw/zinc/70/70/67/350707067.db2.gz DXYWWAQVZREIMD-QMMMGPOBSA-N 2 2 201.270 -1.218 20 0 BAADLP [NH3+]CCCNC(=O)CN1CC[NH2+]CC1=O ZINC000309550425 370226287 /nfs/dbraw/zinc/22/62/87/370226287.db2.gz JYLFGASIKCTJJL-UHFFFAOYSA-N 2 2 214.269 -2.117 20 0 BAADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000310348906 344471328 /nfs/dbraw/zinc/47/13/28/344471328.db2.gz GOOUPJHLONOXNS-DCAQKATOSA-N 2 2 248.323 -2.037 20 0 BAADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000310348906 344471326 /nfs/dbraw/zinc/47/13/26/344471326.db2.gz GOOUPJHLONOXNS-DCAQKATOSA-N 2 2 248.323 -2.037 20 0 BAADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000310348908 411234735 /nfs/dbraw/zinc/23/47/35/411234735.db2.gz GOOUPJHLONOXNS-GARJFASQSA-N 2 2 248.323 -2.037 20 0 BAADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000310348908 411234733 /nfs/dbraw/zinc/23/47/33/411234733.db2.gz GOOUPJHLONOXNS-GARJFASQSA-N 2 2 248.323 -2.037 20 0 BAADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](O)[C@@H](O)C1 ZINC000310348908 411234730 /nfs/dbraw/zinc/23/47/30/411234730.db2.gz GOOUPJHLONOXNS-GARJFASQSA-N 2 2 248.323 -2.037 20 0 BAADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](O)[C@@H](O)C1 ZINC000310348908 411234728 /nfs/dbraw/zinc/23/47/28/411234728.db2.gz GOOUPJHLONOXNS-GARJFASQSA-N 2 2 248.323 -2.037 20 0 BAADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000310348911 411235006 /nfs/dbraw/zinc/23/50/06/411235006.db2.gz GOOUPJHLONOXNS-MXWKQRLJSA-N 2 2 248.323 -2.037 20 0 BAADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000310348911 411235000 /nfs/dbraw/zinc/23/50/00/411235000.db2.gz GOOUPJHLONOXNS-MXWKQRLJSA-N 2 2 248.323 -2.037 20 0 BAADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H](O)[C@@H](O)C1 ZINC000310348911 411234998 /nfs/dbraw/zinc/23/49/98/411234998.db2.gz GOOUPJHLONOXNS-MXWKQRLJSA-N 2 2 248.323 -2.037 20 0 BAADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H](O)[C@@H](O)C1 ZINC000310348911 411234992 /nfs/dbraw/zinc/23/49/92/411234992.db2.gz GOOUPJHLONOXNS-MXWKQRLJSA-N 2 2 248.323 -2.037 20 0 BAADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](CO)[C@H](O)C1 ZINC000316504410 411791193 /nfs/dbraw/zinc/79/11/93/411791193.db2.gz MNRJNFJNSBMKOO-GRYCIOLGSA-N 2 2 246.351 -1.028 20 0 BAADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1C[C@H](CO)[C@H](O)C1 ZINC000316504410 411791192 /nfs/dbraw/zinc/79/11/92/411791192.db2.gz MNRJNFJNSBMKOO-GRYCIOLGSA-N 2 2 246.351 -1.028 20 0 BAADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](CO)[C@H](O)C1 ZINC000316504410 411791190 /nfs/dbraw/zinc/79/11/90/411791190.db2.gz MNRJNFJNSBMKOO-GRYCIOLGSA-N 2 2 246.351 -1.028 20 0 BAADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@H](CO)[C@H](O)C1 ZINC000316504410 411791186 /nfs/dbraw/zinc/79/11/86/411791186.db2.gz MNRJNFJNSBMKOO-GRYCIOLGSA-N 2 2 246.351 -1.028 20 0 BAADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](CO)C1 ZINC000316504411 411790990 /nfs/dbraw/zinc/79/09/90/411790990.db2.gz MNRJNFJNSBMKOO-SDDRHHMPSA-N 2 2 246.351 -1.028 20 0 BAADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](CO)C1 ZINC000316504411 411790987 /nfs/dbraw/zinc/79/09/87/411790987.db2.gz MNRJNFJNSBMKOO-SDDRHHMPSA-N 2 2 246.351 -1.028 20 0 BAADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](O)[C@H](CO)C1 ZINC000316504411 411790983 /nfs/dbraw/zinc/79/09/83/411790983.db2.gz MNRJNFJNSBMKOO-SDDRHHMPSA-N 2 2 246.351 -1.028 20 0 BAADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](O)[C@H](CO)C1 ZINC000316504411 411790978 /nfs/dbraw/zinc/79/09/78/411790978.db2.gz MNRJNFJNSBMKOO-SDDRHHMPSA-N 2 2 246.351 -1.028 20 0 BAADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1C[C@H](O)[C@H](CO)C1 ZINC000316504412 411791268 /nfs/dbraw/zinc/79/12/68/411791268.db2.gz MNRJNFJNSBMKOO-SRVKXCTJSA-N 2 2 246.351 -1.028 20 0 BAADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](O)[C@H](CO)C1 ZINC000316504412 411791266 /nfs/dbraw/zinc/79/12/66/411791266.db2.gz MNRJNFJNSBMKOO-SRVKXCTJSA-N 2 2 246.351 -1.028 20 0 BAADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](O)[C@H](CO)C1 ZINC000316504412 411791263 /nfs/dbraw/zinc/79/12/63/411791263.db2.gz MNRJNFJNSBMKOO-SRVKXCTJSA-N 2 2 246.351 -1.028 20 0 BAADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@H](O)[C@H](CO)C1 ZINC000316504412 411791260 /nfs/dbraw/zinc/79/12/60/411791260.db2.gz MNRJNFJNSBMKOO-SRVKXCTJSA-N 2 2 246.351 -1.028 20 0 BAADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1C[C@H](O)[C@@H](CO)C1 ZINC000316504415 411791127 /nfs/dbraw/zinc/79/11/27/411791127.db2.gz MNRJNFJNSBMKOO-WOPDTQHZSA-N 2 2 246.351 -1.028 20 0 BAADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](O)[C@@H](CO)C1 ZINC000316504415 411791125 /nfs/dbraw/zinc/79/11/25/411791125.db2.gz MNRJNFJNSBMKOO-WOPDTQHZSA-N 2 2 246.351 -1.028 20 0 BAADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](O)[C@@H](CO)C1 ZINC000316504415 411791123 /nfs/dbraw/zinc/79/11/23/411791123.db2.gz MNRJNFJNSBMKOO-WOPDTQHZSA-N 2 2 246.351 -1.028 20 0 BAADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@H](O)[C@@H](CO)C1 ZINC000316504415 411791120 /nfs/dbraw/zinc/79/11/20/411791120.db2.gz MNRJNFJNSBMKOO-WOPDTQHZSA-N 2 2 246.351 -1.028 20 0 BAADLP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1COC[C@H]1O)C1CC1 ZINC000323256923 259353364 /nfs/dbraw/zinc/35/33/64/259353364.db2.gz FUXWXNCZODNMHW-GMTAPVOTSA-N 2 2 230.308 -1.209 20 0 BAADLP C[N@H+](C[C@H](O)C[NH2+][C@@H]1COC[C@H]1O)C1CC1 ZINC000323256923 259353362 /nfs/dbraw/zinc/35/33/62/259353362.db2.gz FUXWXNCZODNMHW-GMTAPVOTSA-N 2 2 230.308 -1.209 20 0 BAADLP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1COC[C@@H]1O)C1CC1 ZINC000323256924 490092015 /nfs/dbraw/zinc/09/20/15/490092015.db2.gz FUXWXNCZODNMHW-MXWKQRLJSA-N 2 2 230.308 -1.209 20 0 BAADLP C[N@H+](C[C@H](O)C[NH2+][C@@H]1COC[C@@H]1O)C1CC1 ZINC000323256924 490092005 /nfs/dbraw/zinc/09/20/05/490092005.db2.gz FUXWXNCZODNMHW-MXWKQRLJSA-N 2 2 230.308 -1.209 20 0 BAADLP O[C@H](C[NH2+][C@@H]1COC[C@H]1O)C[NH+]1CCCC1 ZINC000323327246 388258033 /nfs/dbraw/zinc/25/80/33/388258033.db2.gz VBAFYWYMHJQWPL-GMTAPVOTSA-N 2 2 230.308 -1.208 20 0 BAADLP O[C@H](C[NH2+][C@@H]1COC[C@@H]1O)C[NH+]1CCCC1 ZINC000323327247 388258416 /nfs/dbraw/zinc/25/84/16/388258416.db2.gz VBAFYWYMHJQWPL-MXWKQRLJSA-N 2 2 230.308 -1.208 20 0 BAADLP C[N@@H+](C[C@@H](O)C[NH2+][C@@H]1COC[C@H]1O)C1CC1 ZINC000323375135 323080478 /nfs/dbraw/zinc/08/04/78/323080478.db2.gz FUXWXNCZODNMHW-HBNTYKKESA-N 2 2 230.308 -1.209 20 0 BAADLP C[N@H+](C[C@@H](O)C[NH2+][C@@H]1COC[C@H]1O)C1CC1 ZINC000323375135 323080477 /nfs/dbraw/zinc/08/04/77/323080477.db2.gz FUXWXNCZODNMHW-HBNTYKKESA-N 2 2 230.308 -1.209 20 0 BAADLP O[C@@H](C[NH2+][C@@H]1COC[C@H]1O)C[NH+]1CCCC1 ZINC000323454687 385466523 /nfs/dbraw/zinc/46/65/23/385466523.db2.gz VBAFYWYMHJQWPL-HBNTYKKESA-N 2 2 230.308 -1.208 20 0 BAADLP CC1(C(=O)N2CC[NH+](CCO)CC2)C[NH2+]C1 ZINC000331985928 167865583 /nfs/dbraw/zinc/86/55/83/167865583.db2.gz OSMOKSDNLLEXTP-UHFFFAOYSA-N 2 2 227.308 -1.268 20 0 BAADLP C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000332186583 173108252 /nfs/dbraw/zinc/10/82/52/173108252.db2.gz XZWRSMUSDUHEOH-HLTSFMKQSA-N 2 2 213.281 -1.220 20 0 BAADLP C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000332186583 173108251 /nfs/dbraw/zinc/10/82/51/173108251.db2.gz XZWRSMUSDUHEOH-HLTSFMKQSA-N 2 2 213.281 -1.220 20 0 BAADLP C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000332186585 173102923 /nfs/dbraw/zinc/10/29/23/173102923.db2.gz XZWRSMUSDUHEOH-YIZRAAEISA-N 2 2 213.281 -1.220 20 0 BAADLP C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000332186585 173102922 /nfs/dbraw/zinc/10/29/22/173102922.db2.gz XZWRSMUSDUHEOH-YIZRAAEISA-N 2 2 213.281 -1.220 20 0 BAADLP C[N@@H+](C[C@@H](O)C[NH+](CCO)CCO)C1CC1 ZINC000336650758 385619493 /nfs/dbraw/zinc/61/94/93/385619493.db2.gz HQKHNMPYEFQKIW-LLVKDONJSA-N 2 2 232.324 -1.272 20 0 BAADLP C[N@H+](C[C@@H](O)C[NH+](CCO)CCO)C1CC1 ZINC000336650758 385619486 /nfs/dbraw/zinc/61/94/86/385619486.db2.gz HQKHNMPYEFQKIW-LLVKDONJSA-N 2 2 232.324 -1.272 20 0 BAADLP C[N@@H+](C[C@H](O)C[NH+](CCO)CCO)C1CC1 ZINC000336650759 385620209 /nfs/dbraw/zinc/62/02/09/385620209.db2.gz HQKHNMPYEFQKIW-NSHDSACASA-N 2 2 232.324 -1.272 20 0 BAADLP C[N@H+](C[C@H](O)C[NH+](CCO)CCO)C1CC1 ZINC000336650759 385620207 /nfs/dbraw/zinc/62/02/07/385620207.db2.gz HQKHNMPYEFQKIW-NSHDSACASA-N 2 2 232.324 -1.272 20 0 BAADLP C[N@@H+](CCC[NH3+])CC(=O)N1CC[NH2+]CC1 ZINC000336753726 386168845 /nfs/dbraw/zinc/16/88/45/386168845.db2.gz WOTNWNAKTZWIEG-UHFFFAOYSA-N 3 2 214.313 -1.301 20 0 BAADLP C[N@H+](CCC[NH3+])CC(=O)N1CC[NH2+]CC1 ZINC000336753726 386168839 /nfs/dbraw/zinc/16/88/39/386168839.db2.gz WOTNWNAKTZWIEG-UHFFFAOYSA-N 3 2 214.313 -1.301 20 0 BAADLP C[C@@H](C[NH3+])[N@@H+](C)CCC(=O)NC(N)=O ZINC000336761550 386766134 /nfs/dbraw/zinc/76/61/34/386766134.db2.gz NKGNEHSVJDTLPQ-LURJTMIESA-N 2 2 202.258 -1.150 20 0 BAADLP C[C@@H](C[NH3+])[N@H+](C)CCC(=O)NC(N)=O ZINC000336761550 386766131 /nfs/dbraw/zinc/76/61/31/386766131.db2.gz NKGNEHSVJDTLPQ-LURJTMIESA-N 2 2 202.258 -1.150 20 0 BAADLP C[C@H](C[NH3+])[N@@H+](C)CCC(=O)NC(N)=O ZINC000336761551 386765017 /nfs/dbraw/zinc/76/50/17/386765017.db2.gz NKGNEHSVJDTLPQ-ZCFIWIBFSA-N 2 2 202.258 -1.150 20 0 BAADLP C[C@H](C[NH3+])[N@H+](C)CCC(=O)NC(N)=O ZINC000336761551 386765015 /nfs/dbraw/zinc/76/50/15/386765015.db2.gz NKGNEHSVJDTLPQ-ZCFIWIBFSA-N 2 2 202.258 -1.150 20 0 BAADLP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)CC(N)=O ZINC000338232695 173067098 /nfs/dbraw/zinc/06/70/98/173067098.db2.gz SXZZUNFUIGHNLZ-UHFFFAOYSA-N 2 2 242.323 -1.432 20 0 BAADLP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)CC(N)=O ZINC000338232695 173067095 /nfs/dbraw/zinc/06/70/95/173067095.db2.gz SXZZUNFUIGHNLZ-UHFFFAOYSA-N 2 2 242.323 -1.432 20 0 BAADLP [NH3+]C1(C[NH2+]CC(=O)N2CCNC(=O)C2)CCC1 ZINC000342128386 181330568 /nfs/dbraw/zinc/33/05/68/181330568.db2.gz KXDQUOMLIVNYFL-UHFFFAOYSA-N 2 2 240.307 -1.584 20 0 BAADLP CNC(=O)NC(=O)CC[N@@H+](CC[NH3+])CCO ZINC000342390516 135269900 /nfs/dbraw/zinc/26/99/00/135269900.db2.gz QBQUQOASSBLCLN-UHFFFAOYSA-N 2 2 232.284 -1.915 20 0 BAADLP CNC(=O)NC(=O)CC[N@H+](CC[NH3+])CCO ZINC000342390516 135269899 /nfs/dbraw/zinc/26/98/99/135269899.db2.gz QBQUQOASSBLCLN-UHFFFAOYSA-N 2 2 232.284 -1.915 20 0 BAADLP [NH3+]CC[N@@H+](CCO)CCC(=O)N1CCOCC1 ZINC000342394574 135271082 /nfs/dbraw/zinc/27/10/82/135271082.db2.gz BHXXBJSWLMMCSK-UHFFFAOYSA-N 2 2 245.323 -1.512 20 0 BAADLP [NH3+]CC[N@H+](CCO)CCC(=O)N1CCOCC1 ZINC000342394574 135271081 /nfs/dbraw/zinc/27/10/81/135271081.db2.gz BHXXBJSWLMMCSK-UHFFFAOYSA-N 2 2 245.323 -1.512 20 0 BAADLP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)CN1CC[NH2+]CC1=O ZINC000343590546 353941594 /nfs/dbraw/zinc/94/15/94/353941594.db2.gz IOTCQUMCEWDPIQ-BDAKNGLRSA-N 2 2 240.307 -1.634 20 0 BAADLP C[C@H]1[C@H]([NH3+])CCN1C(=O)CN1CC[NH2+]CC1=O ZINC000343590547 353941702 /nfs/dbraw/zinc/94/17/02/353941702.db2.gz IOTCQUMCEWDPIQ-DTWKUNHWSA-N 2 2 240.307 -1.634 20 0 BAADLP C[C@H]1[C@@H]([NH3+])CCN1C(=O)CN1CC[NH2+]CC1=O ZINC000343590548 353942132 /nfs/dbraw/zinc/94/21/32/353942132.db2.gz IOTCQUMCEWDPIQ-IUCAKERBSA-N 2 2 240.307 -1.634 20 0 BAADLP C[C@@H]1[C@H]([NH3+])CCN1C(=O)CN1CC[NH2+]CC1=O ZINC000343590549 353941581 /nfs/dbraw/zinc/94/15/81/353941581.db2.gz IOTCQUMCEWDPIQ-RKDXNWHRSA-N 2 2 240.307 -1.634 20 0 BAADLP C[C@H](C[NH3+])[N@@H+](C)Cc1cn(C)c(=O)n(C)c1=O ZINC000347039564 386226110 /nfs/dbraw/zinc/22/61/10/386226110.db2.gz JPHIVTWHLWVUFU-MRVPVSSYSA-N 2 2 240.307 -1.137 20 0 BAADLP C[C@H](C[NH3+])[N@H+](C)Cc1cn(C)c(=O)n(C)c1=O ZINC000347039564 386226107 /nfs/dbraw/zinc/22/61/07/386226107.db2.gz JPHIVTWHLWVUFU-MRVPVSSYSA-N 2 2 240.307 -1.137 20 0 BAADLP C[C@@H](C[NH3+])[N@@H+](C)Cc1cn(C)c(=O)n(C)c1=O ZINC000347039603 386226171 /nfs/dbraw/zinc/22/61/71/386226171.db2.gz JPHIVTWHLWVUFU-QMMMGPOBSA-N 2 2 240.307 -1.137 20 0 BAADLP C[C@@H](C[NH3+])[N@H+](C)Cc1cn(C)c(=O)n(C)c1=O ZINC000347039603 386226168 /nfs/dbraw/zinc/22/61/68/386226168.db2.gz JPHIVTWHLWVUFU-QMMMGPOBSA-N 2 2 240.307 -1.137 20 0 BAADLP C[NH+]1CCN(C(=O)C[NH2+]C2(C(N)=O)CC2)CC1 ZINC000347800415 136012850 /nfs/dbraw/zinc/01/28/50/136012850.db2.gz LXYZVGJNVOPMIS-UHFFFAOYSA-N 2 2 240.307 -1.632 20 0 BAADLP C[NH+](C[C@H](O)C[N@H+]1C[C@@H](O)C[C@H]1CO)C1CC1 ZINC000351581161 136369612 /nfs/dbraw/zinc/36/96/12/136369612.db2.gz MYSWOEWHJVIGST-SRVKXCTJSA-N 2 2 244.335 -1.131 20 0 BAADLP C[NH+](C[C@H](O)C[N@@H+]1C[C@@H](O)C[C@H]1CO)C1CC1 ZINC000351581161 136369611 /nfs/dbraw/zinc/36/96/11/136369611.db2.gz MYSWOEWHJVIGST-SRVKXCTJSA-N 2 2 244.335 -1.131 20 0 BAADLP C[N@@H+](C[C@H](O)C[NH+]1C[C@@H](O)C[C@H]1CO)C1CC1 ZINC000351581161 136369610 /nfs/dbraw/zinc/36/96/10/136369610.db2.gz MYSWOEWHJVIGST-SRVKXCTJSA-N 2 2 244.335 -1.131 20 0 BAADLP C[N@H+](C[C@H](O)C[NH+]1C[C@@H](O)C[C@H]1CO)C1CC1 ZINC000351581161 136369609 /nfs/dbraw/zinc/36/96/09/136369609.db2.gz MYSWOEWHJVIGST-SRVKXCTJSA-N 2 2 244.335 -1.131 20 0 BAADLP C[NH+](C[C@H](O)C[N@H+]1C[C@H](O)C[C@H]1CO)C1CC1 ZINC000351581165 356021044 /nfs/dbraw/zinc/02/10/44/356021044.db2.gz MYSWOEWHJVIGST-TUAOUCFPSA-N 2 2 244.335 -1.131 20 0 BAADLP C[NH+](C[C@H](O)C[N@@H+]1C[C@H](O)C[C@H]1CO)C1CC1 ZINC000351581165 356021041 /nfs/dbraw/zinc/02/10/41/356021041.db2.gz MYSWOEWHJVIGST-TUAOUCFPSA-N 2 2 244.335 -1.131 20 0 BAADLP C[N@@H+](C[C@H](O)C[NH+]1C[C@H](O)C[C@H]1CO)C1CC1 ZINC000351581165 356021037 /nfs/dbraw/zinc/02/10/37/356021037.db2.gz MYSWOEWHJVIGST-TUAOUCFPSA-N 2 2 244.335 -1.131 20 0 BAADLP C[N@H+](C[C@H](O)C[NH+]1C[C@H](O)C[C@H]1CO)C1CC1 ZINC000351581165 356021034 /nfs/dbraw/zinc/02/10/34/356021034.db2.gz MYSWOEWHJVIGST-TUAOUCFPSA-N 2 2 244.335 -1.131 20 0 BAADLP C[NH+](C[C@H](O)C[N@H+]1C[C@H](O)C[C@@H]1CO)C1CC1 ZINC000351581169 136369436 /nfs/dbraw/zinc/36/94/36/136369436.db2.gz MYSWOEWHJVIGST-UTUOFQBUSA-N 2 2 244.335 -1.131 20 0 BAADLP C[NH+](C[C@H](O)C[N@@H+]1C[C@H](O)C[C@@H]1CO)C1CC1 ZINC000351581169 136369435 /nfs/dbraw/zinc/36/94/35/136369435.db2.gz MYSWOEWHJVIGST-UTUOFQBUSA-N 2 2 244.335 -1.131 20 0 BAADLP C[N@@H+](C[C@H](O)C[NH+]1C[C@H](O)C[C@@H]1CO)C1CC1 ZINC000351581169 136369434 /nfs/dbraw/zinc/36/94/34/136369434.db2.gz MYSWOEWHJVIGST-UTUOFQBUSA-N 2 2 244.335 -1.131 20 0 BAADLP C[N@H+](C[C@H](O)C[NH+]1C[C@H](O)C[C@@H]1CO)C1CC1 ZINC000351581169 136369433 /nfs/dbraw/zinc/36/94/33/136369433.db2.gz MYSWOEWHJVIGST-UTUOFQBUSA-N 2 2 244.335 -1.131 20 0 BAADLP C[NH+](C[C@H](O)C[N@H+]1C[C@@H](O)C[C@@H]1CO)C1CC1 ZINC000351581172 136369468 /nfs/dbraw/zinc/36/94/68/136369468.db2.gz MYSWOEWHJVIGST-WOPDTQHZSA-N 2 2 244.335 -1.131 20 0 BAADLP C[NH+](C[C@H](O)C[N@@H+]1C[C@@H](O)C[C@@H]1CO)C1CC1 ZINC000351581172 136369467 /nfs/dbraw/zinc/36/94/67/136369467.db2.gz MYSWOEWHJVIGST-WOPDTQHZSA-N 2 2 244.335 -1.131 20 0 BAADLP C[N@@H+](C[C@H](O)C[NH+]1C[C@@H](O)C[C@@H]1CO)C1CC1 ZINC000351581172 136369466 /nfs/dbraw/zinc/36/94/66/136369466.db2.gz MYSWOEWHJVIGST-WOPDTQHZSA-N 2 2 244.335 -1.131 20 0 BAADLP C[N@H+](C[C@H](O)C[NH+]1C[C@@H](O)C[C@@H]1CO)C1CC1 ZINC000351581172 136369465 /nfs/dbraw/zinc/36/94/65/136369465.db2.gz MYSWOEWHJVIGST-WOPDTQHZSA-N 2 2 244.335 -1.131 20 0 BAADLP C[C@H]([NH3+])C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000353175895 387150754 /nfs/dbraw/zinc/15/07/54/387150754.db2.gz SINVCGSFPRQXBV-QMMMGPOBSA-N 2 2 242.323 -1.258 20 0 BAADLP CO[C@H](C[NH3+])C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000353438610 387202870 /nfs/dbraw/zinc/20/28/70/387202870.db2.gz ZPMASPSZLHGSBZ-NXEZZACHSA-N 2 2 245.323 -1.203 20 0 BAADLP CO[C@@H](C[NH3+])C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000353438611 387202804 /nfs/dbraw/zinc/20/28/04/387202804.db2.gz ZPMASPSZLHGSBZ-UWVGGRQHSA-N 2 2 245.323 -1.203 20 0 BAADLP CO[C@H](C[NH3+])C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000353438612 387201247 /nfs/dbraw/zinc/20/12/47/387201247.db2.gz ZPMASPSZLHGSBZ-VHSXEESVSA-N 2 2 245.323 -1.203 20 0 BAADLP CO[C@@H](C[NH3+])C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000353438613 386670443 /nfs/dbraw/zinc/67/04/43/386670443.db2.gz ZPMASPSZLHGSBZ-ZJUUUORDSA-N 2 2 245.323 -1.203 20 0 BAADLP CO[C@H](C[NH3+])C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000353455873 536557966 /nfs/dbraw/zinc/55/79/66/536557966.db2.gz YPJZJDBKKREPHB-NXEZZACHSA-N 2 2 245.323 -1.203 20 0 BAADLP CO[C@H](C[NH3+])C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000353455873 536557962 /nfs/dbraw/zinc/55/79/62/536557962.db2.gz YPJZJDBKKREPHB-NXEZZACHSA-N 2 2 245.323 -1.203 20 0 BAADLP CO[C@@H](C[NH3+])C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000353455874 385704599 /nfs/dbraw/zinc/70/45/99/385704599.db2.gz YPJZJDBKKREPHB-UWVGGRQHSA-N 2 2 245.323 -1.203 20 0 BAADLP CO[C@H](C[NH3+])C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000353455875 385704856 /nfs/dbraw/zinc/70/48/56/385704856.db2.gz YPJZJDBKKREPHB-VHSXEESVSA-N 2 2 245.323 -1.203 20 0 BAADLP CO[C@@H](C[NH3+])C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000353455876 385705238 /nfs/dbraw/zinc/70/52/38/385705238.db2.gz YPJZJDBKKREPHB-ZJUUUORDSA-N 2 2 245.323 -1.203 20 0 BAADLP COCC[NH+]1CCN(C(=O)[C@H](C[NH3+])OC)CC1 ZINC000353501853 174308629 /nfs/dbraw/zinc/30/86/29/174308629.db2.gz BDPXASMEZLSSMM-JTQLQIEISA-N 2 2 245.323 -1.249 20 0 BAADLP COCC[NH+]1CCN(C(=O)[C@@H](C[NH3+])OC)CC1 ZINC000353501861 174308547 /nfs/dbraw/zinc/30/85/47/174308547.db2.gz BDPXASMEZLSSMM-SNVBAGLBSA-N 2 2 245.323 -1.249 20 0 BAADLP COCC(=O)N1CC[NH+](CCOCC[NH3+])CC1 ZINC000357026189 174043447 /nfs/dbraw/zinc/04/34/47/174043447.db2.gz HOGUHAQPTPOHKL-UHFFFAOYSA-N 2 2 245.323 -1.248 20 0 BAADLP C[NH+](C)CCNC(=O)CN1CC[NH2+]CC1=O ZINC000357243154 386744872 /nfs/dbraw/zinc/74/48/72/386744872.db2.gz QUJYGHCDJWILBC-UHFFFAOYSA-N 2 2 228.296 -1.904 20 0 BAADLP O=C(NC[C@H]1C[NH+]2CCN1CC2)C1C[NH2+]C1 ZINC000365018828 182245854 /nfs/dbraw/zinc/24/58/54/182245854.db2.gz PDXDOIBRLAOXLW-JTQLQIEISA-N 2 2 224.308 -1.678 20 0 BAADLP O=C(NC[C@@H]1C[NH+]2CCN1CC2)C1C[NH2+]C1 ZINC000365018838 182228054 /nfs/dbraw/zinc/22/80/54/182228054.db2.gz PDXDOIBRLAOXLW-SNVBAGLBSA-N 2 2 224.308 -1.678 20 0 BAADLP COC(=O)[C@H]1C[C@H](NC(=O)[C@@H]([NH3+])C(C)C)C[NH2+]1 ZINC000365757434 385737860 /nfs/dbraw/zinc/73/78/60/385737860.db2.gz IKYUBPWVBZRRKZ-YIZRAAEISA-N 2 2 243.307 -1.011 20 0 BAADLP O=C(N1CC[NH+](CCO)CC1)[C@@]1(F)CC[NH2+]C1 ZINC000367496066 182080970 /nfs/dbraw/zinc/08/09/70/182080970.db2.gz BPCJIDVOPCBHHV-LLVKDONJSA-N 2 2 245.298 -1.176 20 0 BAADLP O=C(N1CC[NH+](CCO)CC1)[C@]1(F)CC[NH2+]C1 ZINC000367496067 182081077 /nfs/dbraw/zinc/08/10/77/182081077.db2.gz BPCJIDVOPCBHHV-NSHDSACASA-N 2 2 245.298 -1.176 20 0 BAADLP O=C([C@@H]1CC12C[NH2+]C2)N1CC[NH+](CCO)CC1 ZINC000367498586 387715304 /nfs/dbraw/zinc/71/53/04/387715304.db2.gz VHULDKGPXHBQJO-JTQLQIEISA-N 2 2 239.319 -1.268 20 0 BAADLP O=C([C@H]1CC12C[NH2+]C2)N1CC[NH+](CCO)CC1 ZINC000367498587 387716909 /nfs/dbraw/zinc/71/69/09/387716909.db2.gz VHULDKGPXHBQJO-SNVBAGLBSA-N 2 2 239.319 -1.268 20 0 BAADLP C[N@H+]1CCO[C@@H]2CN(C(=O)C3C[NH2+]C3)C[C@@H]21 ZINC000368112166 173105192 /nfs/dbraw/zinc/10/51/92/173105192.db2.gz BXQWRNKLGRJKCV-VHSXEESVSA-N 2 2 225.292 -1.253 20 0 BAADLP C[N@@H+]1CCO[C@@H]2CN(C(=O)C3C[NH2+]C3)C[C@@H]21 ZINC000368112166 173105190 /nfs/dbraw/zinc/10/51/90/173105190.db2.gz BXQWRNKLGRJKCV-VHSXEESVSA-N 2 2 225.292 -1.253 20 0 BAADLP O=C(NC[C@@H]1C[NH2+]C[C@H]1O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000375419281 188431824 /nfs/dbraw/zinc/43/18/24/188431824.db2.gz FOZDMTPMZVBXNW-BIIVOSGPSA-N 2 2 249.261 -1.320 20 0 BAADLP O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000375419282 188077861 /nfs/dbraw/zinc/07/78/61/188077861.db2.gz FOZDMTPMZVBXNW-FXQIFTODSA-N 2 2 249.261 -1.320 20 0 BAADLP O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000375419283 387538904 /nfs/dbraw/zinc/53/89/04/387538904.db2.gz FOZDMTPMZVBXNW-RNJXMRFFSA-N 2 2 249.261 -1.320 20 0 BAADLP O=C(NC[C@@H]1C[NH2+]C[C@H]1O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000375419284 182229303 /nfs/dbraw/zinc/22/93/03/182229303.db2.gz FOZDMTPMZVBXNW-XLPZGREQSA-N 2 2 249.261 -1.320 20 0 BAADLP CC[N@@H+](C)C[C@H](O)C[NH2+]C(CO)CO ZINC000379501697 358514848 /nfs/dbraw/zinc/51/48/48/358514848.db2.gz JVSIIGVZQDMMHD-SECBINFHSA-N 2 2 206.286 -1.758 20 0 BAADLP CC[N@H+](C)C[C@H](O)C[NH2+]C(CO)CO ZINC000379501697 358514845 /nfs/dbraw/zinc/51/48/45/358514845.db2.gz JVSIIGVZQDMMHD-SECBINFHSA-N 2 2 206.286 -1.758 20 0 BAADLP CC[N@@H+](C)C[C@@H](O)C[NH2+]C(CO)CO ZINC000379501700 358515173 /nfs/dbraw/zinc/51/51/73/358515173.db2.gz JVSIIGVZQDMMHD-VIFPVBQESA-N 2 2 206.286 -1.758 20 0 BAADLP CC[N@H+](C)C[C@@H](O)C[NH2+]C(CO)CO ZINC000379501700 358515170 /nfs/dbraw/zinc/51/51/70/358515170.db2.gz JVSIIGVZQDMMHD-VIFPVBQESA-N 2 2 206.286 -1.758 20 0 BAADLP C[N@@H+](C[C@@H](O)C[NH2+]C(CO)CO)C1CC1 ZINC000379776184 343624159 /nfs/dbraw/zinc/62/41/59/343624159.db2.gz CZTQRLKONNSUNZ-JTQLQIEISA-N 2 2 218.297 -1.616 20 0 BAADLP C[N@H+](C[C@@H](O)C[NH2+]C(CO)CO)C1CC1 ZINC000379776184 343624157 /nfs/dbraw/zinc/62/41/57/343624157.db2.gz CZTQRLKONNSUNZ-JTQLQIEISA-N 2 2 218.297 -1.616 20 0 BAADLP C[N@@H+](C[C@H](O)C[NH2+]C(CO)CO)C1CC1 ZINC000379776186 343624257 /nfs/dbraw/zinc/62/42/57/343624257.db2.gz CZTQRLKONNSUNZ-SNVBAGLBSA-N 2 2 218.297 -1.616 20 0 BAADLP C[N@H+](C[C@H](O)C[NH2+]C(CO)CO)C1CC1 ZINC000379776186 343624255 /nfs/dbraw/zinc/62/42/55/343624255.db2.gz CZTQRLKONNSUNZ-SNVBAGLBSA-N 2 2 218.297 -1.616 20 0 BAADLP C[N@@H+](C[C@H](O)C[NH2+]C[C@@H](O)CO)C1CC1 ZINC000379810131 365278291 /nfs/dbraw/zinc/27/82/91/365278291.db2.gz PIHCTGDUVLXZOI-NXEZZACHSA-N 2 2 218.297 -1.616 20 0 BAADLP C[N@H+](C[C@H](O)C[NH2+]C[C@@H](O)CO)C1CC1 ZINC000379810131 365278285 /nfs/dbraw/zinc/27/82/85/365278285.db2.gz PIHCTGDUVLXZOI-NXEZZACHSA-N 2 2 218.297 -1.616 20 0 BAADLP C[N@@H+](C[C@@H](O)C[NH2+]C[C@H](O)CO)C1CC1 ZINC000379810135 365277831 /nfs/dbraw/zinc/27/78/31/365277831.db2.gz PIHCTGDUVLXZOI-UWVGGRQHSA-N 2 2 218.297 -1.616 20 0 BAADLP C[N@H+](C[C@@H](O)C[NH2+]C[C@H](O)CO)C1CC1 ZINC000379810135 365277826 /nfs/dbraw/zinc/27/78/26/365277826.db2.gz PIHCTGDUVLXZOI-UWVGGRQHSA-N 2 2 218.297 -1.616 20 0 BAADLP C[N@@H+](C[C@@H](O)C[NH2+]C[C@@H](O)CO)C1CC1 ZINC000379810138 365277937 /nfs/dbraw/zinc/27/79/37/365277937.db2.gz PIHCTGDUVLXZOI-VHSXEESVSA-N 2 2 218.297 -1.616 20 0 BAADLP C[N@H+](C[C@@H](O)C[NH2+]C[C@@H](O)CO)C1CC1 ZINC000379810138 365277933 /nfs/dbraw/zinc/27/79/33/365277933.db2.gz PIHCTGDUVLXZOI-VHSXEESVSA-N 2 2 218.297 -1.616 20 0 BAADLP C[N@@H+](C[C@H](O)C[NH2+]C[C@H](O)CO)C1CC1 ZINC000379810140 365278441 /nfs/dbraw/zinc/27/84/41/365278441.db2.gz PIHCTGDUVLXZOI-ZJUUUORDSA-N 2 2 218.297 -1.616 20 0 BAADLP C[N@H+](C[C@H](O)C[NH2+]C[C@H](O)CO)C1CC1 ZINC000379810140 365278436 /nfs/dbraw/zinc/27/84/36/365278436.db2.gz PIHCTGDUVLXZOI-ZJUUUORDSA-N 2 2 218.297 -1.616 20 0 BAADLP NC(=O)NC(=O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000380727257 367285494 /nfs/dbraw/zinc/28/54/94/367285494.db2.gz POMKLALTTQBSRF-HTQZYQBOSA-N 2 2 226.280 -1.277 20 0 BAADLP NC(=O)NC(=O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000380727257 367285491 /nfs/dbraw/zinc/28/54/91/367285491.db2.gz POMKLALTTQBSRF-HTQZYQBOSA-N 2 2 226.280 -1.277 20 0 BAADLP NC(=O)NC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000380727264 367285297 /nfs/dbraw/zinc/28/52/97/367285297.db2.gz POMKLALTTQBSRF-JGVFFNPUSA-N 2 2 226.280 -1.277 20 0 BAADLP NC(=O)NC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000380727264 367285291 /nfs/dbraw/zinc/28/52/91/367285291.db2.gz POMKLALTTQBSRF-JGVFFNPUSA-N 2 2 226.280 -1.277 20 0 BAADLP NC(=O)NC(=O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000380727271 367285557 /nfs/dbraw/zinc/28/55/57/367285557.db2.gz POMKLALTTQBSRF-SFYZADRCSA-N 2 2 226.280 -1.277 20 0 BAADLP NC(=O)NC(=O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000380727271 367285552 /nfs/dbraw/zinc/28/55/52/367285552.db2.gz POMKLALTTQBSRF-SFYZADRCSA-N 2 2 226.280 -1.277 20 0 BAADLP NC(=O)NC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000380727274 367285541 /nfs/dbraw/zinc/28/55/41/367285541.db2.gz POMKLALTTQBSRF-YUMQZZPRSA-N 2 2 226.280 -1.277 20 0 BAADLP NC(=O)NC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000380727274 367285536 /nfs/dbraw/zinc/28/55/36/367285536.db2.gz POMKLALTTQBSRF-YUMQZZPRSA-N 2 2 226.280 -1.277 20 0 BAADLP CC[NH+](C)C[C@@H](O)C[N@@H+](CCO)C[C@@H](C)O ZINC000380985248 487930823 /nfs/dbraw/zinc/93/08/23/487930823.db2.gz DBPVGLWAIZFMNE-GHMZBOCLSA-N 2 2 234.340 -1.026 20 0 BAADLP CC[NH+](C)C[C@@H](O)C[N@H+](CCO)C[C@@H](C)O ZINC000380985248 487930815 /nfs/dbraw/zinc/93/08/15/487930815.db2.gz DBPVGLWAIZFMNE-GHMZBOCLSA-N 2 2 234.340 -1.026 20 0 BAADLP CC[N@@H+](C)C[C@@H](O)C[NH+](CCO)C[C@@H](C)O ZINC000380985248 487930808 /nfs/dbraw/zinc/93/08/08/487930808.db2.gz DBPVGLWAIZFMNE-GHMZBOCLSA-N 2 2 234.340 -1.026 20 0 BAADLP CC[N@H+](C)C[C@@H](O)C[NH+](CCO)C[C@@H](C)O ZINC000380985248 487930803 /nfs/dbraw/zinc/93/08/03/487930803.db2.gz DBPVGLWAIZFMNE-GHMZBOCLSA-N 2 2 234.340 -1.026 20 0 BAADLP CC[NH+](C)C[C@H](O)C[N@@H+](CCO)C[C@@H](C)O ZINC000380985297 487930469 /nfs/dbraw/zinc/93/04/69/487930469.db2.gz DBPVGLWAIZFMNE-MNOVXSKESA-N 2 2 234.340 -1.026 20 0 BAADLP CC[NH+](C)C[C@H](O)C[N@H+](CCO)C[C@@H](C)O ZINC000380985297 487930462 /nfs/dbraw/zinc/93/04/62/487930462.db2.gz DBPVGLWAIZFMNE-MNOVXSKESA-N 2 2 234.340 -1.026 20 0 BAADLP CC[N@@H+](C)C[C@H](O)C[NH+](CCO)C[C@@H](C)O ZINC000380985297 487930455 /nfs/dbraw/zinc/93/04/55/487930455.db2.gz DBPVGLWAIZFMNE-MNOVXSKESA-N 2 2 234.340 -1.026 20 0 BAADLP CC[N@H+](C)C[C@H](O)C[NH+](CCO)C[C@@H](C)O ZINC000380985297 487930448 /nfs/dbraw/zinc/93/04/48/487930448.db2.gz DBPVGLWAIZFMNE-MNOVXSKESA-N 2 2 234.340 -1.026 20 0 BAADLP CC[NH+](C)C[C@H](O)C[N@@H+](CCO)C[C@H](C)O ZINC000380985299 487492339 /nfs/dbraw/zinc/49/23/39/487492339.db2.gz DBPVGLWAIZFMNE-QWRGUYRKSA-N 2 2 234.340 -1.026 20 0 BAADLP CC[NH+](C)C[C@H](O)C[N@H+](CCO)C[C@H](C)O ZINC000380985299 487492336 /nfs/dbraw/zinc/49/23/36/487492336.db2.gz DBPVGLWAIZFMNE-QWRGUYRKSA-N 2 2 234.340 -1.026 20 0 BAADLP CC[N@@H+](C)C[C@H](O)C[NH+](CCO)C[C@H](C)O ZINC000380985299 487492332 /nfs/dbraw/zinc/49/23/32/487492332.db2.gz DBPVGLWAIZFMNE-QWRGUYRKSA-N 2 2 234.340 -1.026 20 0 BAADLP CC[N@H+](C)C[C@H](O)C[NH+](CCO)C[C@H](C)O ZINC000380985299 487492328 /nfs/dbraw/zinc/49/23/28/487492328.db2.gz DBPVGLWAIZFMNE-QWRGUYRKSA-N 2 2 234.340 -1.026 20 0 BAADLP CC[NH+](C)C[C@@H](O)C[N@@H+](CCO)C[C@H](C)O ZINC000380985302 487492248 /nfs/dbraw/zinc/49/22/48/487492248.db2.gz DBPVGLWAIZFMNE-WDEREUQCSA-N 2 2 234.340 -1.026 20 0 BAADLP CC[NH+](C)C[C@@H](O)C[N@H+](CCO)C[C@H](C)O ZINC000380985302 487492242 /nfs/dbraw/zinc/49/22/42/487492242.db2.gz DBPVGLWAIZFMNE-WDEREUQCSA-N 2 2 234.340 -1.026 20 0 BAADLP CC[N@@H+](C)C[C@@H](O)C[NH+](CCO)C[C@H](C)O ZINC000380985302 487492238 /nfs/dbraw/zinc/49/22/38/487492238.db2.gz DBPVGLWAIZFMNE-WDEREUQCSA-N 2 2 234.340 -1.026 20 0 BAADLP CC[N@H+](C)C[C@@H](O)C[NH+](CCO)C[C@H](C)O ZINC000380985302 487492233 /nfs/dbraw/zinc/49/22/33/487492233.db2.gz DBPVGLWAIZFMNE-WDEREUQCSA-N 2 2 234.340 -1.026 20 0 BAADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](O)C1 ZINC000381040564 367341025 /nfs/dbraw/zinc/34/10/25/367341025.db2.gz FZUPDQNLBVLXTE-GHMZBOCLSA-N 2 2 232.324 -1.008 20 0 BAADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](O)C1 ZINC000381040564 367341020 /nfs/dbraw/zinc/34/10/20/367341020.db2.gz FZUPDQNLBVLXTE-GHMZBOCLSA-N 2 2 232.324 -1.008 20 0 BAADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](O)C1 ZINC000381040564 367341014 /nfs/dbraw/zinc/34/10/14/367341014.db2.gz FZUPDQNLBVLXTE-GHMZBOCLSA-N 2 2 232.324 -1.008 20 0 BAADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](O)C1 ZINC000381040564 367341012 /nfs/dbraw/zinc/34/10/12/367341012.db2.gz FZUPDQNLBVLXTE-GHMZBOCLSA-N 2 2 232.324 -1.008 20 0 BAADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](O)C1 ZINC000381040566 367341428 /nfs/dbraw/zinc/34/14/28/367341428.db2.gz FZUPDQNLBVLXTE-MNOVXSKESA-N 2 2 232.324 -1.008 20 0 BAADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](O)C1 ZINC000381040566 367341426 /nfs/dbraw/zinc/34/14/26/367341426.db2.gz FZUPDQNLBVLXTE-MNOVXSKESA-N 2 2 232.324 -1.008 20 0 BAADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](O)C1 ZINC000381040566 367341421 /nfs/dbraw/zinc/34/14/21/367341421.db2.gz FZUPDQNLBVLXTE-MNOVXSKESA-N 2 2 232.324 -1.008 20 0 BAADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](O)C1 ZINC000381040566 367341417 /nfs/dbraw/zinc/34/14/17/367341417.db2.gz FZUPDQNLBVLXTE-MNOVXSKESA-N 2 2 232.324 -1.008 20 0 BAADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](O)C1 ZINC000381040568 367341388 /nfs/dbraw/zinc/34/13/88/367341388.db2.gz FZUPDQNLBVLXTE-QWRGUYRKSA-N 2 2 232.324 -1.008 20 0 BAADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](O)C1 ZINC000381040568 367341383 /nfs/dbraw/zinc/34/13/83/367341383.db2.gz FZUPDQNLBVLXTE-QWRGUYRKSA-N 2 2 232.324 -1.008 20 0 BAADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](O)C1 ZINC000381040568 367341381 /nfs/dbraw/zinc/34/13/81/367341381.db2.gz FZUPDQNLBVLXTE-QWRGUYRKSA-N 2 2 232.324 -1.008 20 0 BAADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](O)C1 ZINC000381040568 367341376 /nfs/dbraw/zinc/34/13/76/367341376.db2.gz FZUPDQNLBVLXTE-QWRGUYRKSA-N 2 2 232.324 -1.008 20 0 BAADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](O)C1 ZINC000381040569 367341358 /nfs/dbraw/zinc/34/13/58/367341358.db2.gz FZUPDQNLBVLXTE-WDEREUQCSA-N 2 2 232.324 -1.008 20 0 BAADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](O)C1 ZINC000381040569 367341353 /nfs/dbraw/zinc/34/13/53/367341353.db2.gz FZUPDQNLBVLXTE-WDEREUQCSA-N 2 2 232.324 -1.008 20 0 BAADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](O)C1 ZINC000381040569 367341349 /nfs/dbraw/zinc/34/13/49/367341349.db2.gz FZUPDQNLBVLXTE-WDEREUQCSA-N 2 2 232.324 -1.008 20 0 BAADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](O)C1 ZINC000381040569 367341345 /nfs/dbraw/zinc/34/13/45/367341345.db2.gz FZUPDQNLBVLXTE-WDEREUQCSA-N 2 2 232.324 -1.008 20 0 BAADLP C[C@@H](C[NH3+])NC(=O)CN1CC[NH2+]CC1=O ZINC000381041147 710599151 /nfs/dbraw/zinc/59/91/51/710599151.db2.gz CHMFWDMFDVMLBG-ZETCQYMHSA-N 2 2 214.269 -2.118 20 0 BAADLP C[C@H](C[NH3+])C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000381344965 398253583 /nfs/dbraw/zinc/25/35/83/398253583.db2.gz YSWFXFSMEXKMMW-BDAKNGLRSA-N 3 2 214.313 -1.318 20 0 BAADLP C[C@@H](C[NH3+])C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000381344967 398253683 /nfs/dbraw/zinc/25/36/83/398253683.db2.gz YSWFXFSMEXKMMW-DTWKUNHWSA-N 3 2 214.313 -1.318 20 0 BAADLP C[C@@H](C[NH3+])C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000381344969 398253566 /nfs/dbraw/zinc/25/35/66/398253566.db2.gz YSWFXFSMEXKMMW-IUCAKERBSA-N 3 2 214.313 -1.318 20 0 BAADLP C[C@H](C[NH3+])C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000381344970 398253651 /nfs/dbraw/zinc/25/36/51/398253651.db2.gz YSWFXFSMEXKMMW-RKDXNWHRSA-N 3 2 214.313 -1.318 20 0 BAADLP C[N@@H+]1CCN(C(=O)CCC[NH3+])[C@H](C[NH3+])C1 ZINC000381373346 367390135 /nfs/dbraw/zinc/39/01/35/367390135.db2.gz IFGARKVEADSEPH-SECBINFHSA-N 3 2 214.313 -1.173 20 0 BAADLP C[N@@H+]1CCN(C(=O)CCC[NH3+])[C@@H](C[NH3+])C1 ZINC000381373355 367390223 /nfs/dbraw/zinc/39/02/23/367390223.db2.gz IFGARKVEADSEPH-VIFPVBQESA-N 3 2 214.313 -1.173 20 0 BAADLP C[NH2+]CCNC(=O)CN1CC[NH2+]CC1=O ZINC000381822045 367460951 /nfs/dbraw/zinc/46/09/51/367460951.db2.gz KZQAXNCVHRCCEH-UHFFFAOYSA-N 2 2 214.269 -2.246 20 0 BAADLP CNC(=O)NC(=O)C[N@@H+](C)C1CC([NH3+])C1 ZINC000384836045 367740291 /nfs/dbraw/zinc/74/02/91/367740291.db2.gz HUTUMMMPJIFHFI-UHFFFAOYSA-N 2 2 214.269 -1.137 20 0 BAADLP CNC(=O)NC(=O)C[N@H+](C)C1CC([NH3+])C1 ZINC000384836045 367740287 /nfs/dbraw/zinc/74/02/87/367740287.db2.gz HUTUMMMPJIFHFI-UHFFFAOYSA-N 2 2 214.269 -1.137 20 0 BAADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[C@H](O)CO)C[C@H]21 ZINC000384863090 712703577 /nfs/dbraw/zinc/70/35/77/712703577.db2.gz DTXNFIPZBZYMRD-AXTSPUMRSA-N 2 2 200.282 -1.169 20 0 BAADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@H](O)CO)C[C@H]21 ZINC000384863090 712703575 /nfs/dbraw/zinc/70/35/75/712703575.db2.gz DTXNFIPZBZYMRD-AXTSPUMRSA-N 2 2 200.282 -1.169 20 0 BAADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[C@@H](O)CO)C[C@H]21 ZINC000384863098 712703561 /nfs/dbraw/zinc/70/35/61/712703561.db2.gz DTXNFIPZBZYMRD-IMSYWVGJSA-N 2 2 200.282 -1.169 20 0 BAADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@@H](O)CO)C[C@H]21 ZINC000384863098 712703558 /nfs/dbraw/zinc/70/35/58/712703558.db2.gz DTXNFIPZBZYMRD-IMSYWVGJSA-N 2 2 200.282 -1.169 20 0 BAADLP CC[NH+](C)C[C@@H](O)C[N@@H+](CCO)CCCO ZINC000385322594 388574432 /nfs/dbraw/zinc/57/44/32/388574432.db2.gz GATFYVQSOINPLZ-LLVKDONJSA-N 2 2 234.340 -1.024 20 0 BAADLP CC[NH+](C)C[C@@H](O)C[N@H+](CCO)CCCO ZINC000385322594 388574429 /nfs/dbraw/zinc/57/44/29/388574429.db2.gz GATFYVQSOINPLZ-LLVKDONJSA-N 2 2 234.340 -1.024 20 0 BAADLP CC[N@@H+](C)C[C@@H](O)C[NH+](CCO)CCCO ZINC000385322594 388574427 /nfs/dbraw/zinc/57/44/27/388574427.db2.gz GATFYVQSOINPLZ-LLVKDONJSA-N 2 2 234.340 -1.024 20 0 BAADLP CC[N@H+](C)C[C@@H](O)C[NH+](CCO)CCCO ZINC000385322594 388574424 /nfs/dbraw/zinc/57/44/24/388574424.db2.gz GATFYVQSOINPLZ-LLVKDONJSA-N 2 2 234.340 -1.024 20 0 BAADLP CC[NH+](C)C[C@H](O)C[N@@H+](CCO)CCCO ZINC000385322608 388574365 /nfs/dbraw/zinc/57/43/65/388574365.db2.gz GATFYVQSOINPLZ-NSHDSACASA-N 2 2 234.340 -1.024 20 0 BAADLP CC[NH+](C)C[C@H](O)C[N@H+](CCO)CCCO ZINC000385322608 388574363 /nfs/dbraw/zinc/57/43/63/388574363.db2.gz GATFYVQSOINPLZ-NSHDSACASA-N 2 2 234.340 -1.024 20 0 BAADLP CC[N@@H+](C)C[C@H](O)C[NH+](CCO)CCCO ZINC000385322608 388574361 /nfs/dbraw/zinc/57/43/61/388574361.db2.gz GATFYVQSOINPLZ-NSHDSACASA-N 2 2 234.340 -1.024 20 0 BAADLP CC[N@H+](C)C[C@H](O)C[NH+](CCO)CCCO ZINC000385322608 388574360 /nfs/dbraw/zinc/57/43/60/388574360.db2.gz GATFYVQSOINPLZ-NSHDSACASA-N 2 2 234.340 -1.024 20 0 BAADLP C[N@H+]1CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@@H](C[NH3+])C1 ZINC000385512631 487942169 /nfs/dbraw/zinc/94/21/69/487942169.db2.gz ABGGVDKRVPIZMJ-UKKRHICBSA-N 2 2 239.319 -1.020 20 0 BAADLP C[N@@H+]1CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@@H](C[NH3+])C1 ZINC000385512631 487942161 /nfs/dbraw/zinc/94/21/61/487942161.db2.gz ABGGVDKRVPIZMJ-UKKRHICBSA-N 2 2 239.319 -1.020 20 0 BAADLP C[N@H+]1CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@H](C[NH3+])C1 ZINC000385512632 487788728 /nfs/dbraw/zinc/78/87/28/487788728.db2.gz ABGGVDKRVPIZMJ-ZNSHCXBVSA-N 2 2 239.319 -1.020 20 0 BAADLP C[N@@H+]1CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@H](C[NH3+])C1 ZINC000385512632 487788724 /nfs/dbraw/zinc/78/87/24/487788724.db2.gz ABGGVDKRVPIZMJ-ZNSHCXBVSA-N 2 2 239.319 -1.020 20 0 BAADLP C[C@@H]1C[N@@H+](CCOCC[NH3+])CC(=O)N1 ZINC000386921093 368035569 /nfs/dbraw/zinc/03/55/69/368035569.db2.gz PIVOBAOCADWUMA-MRVPVSSYSA-N 2 2 201.270 -1.218 20 0 BAADLP C[C@@H]1C[N@H+](CCOCC[NH3+])CC(=O)N1 ZINC000386921093 368035565 /nfs/dbraw/zinc/03/55/65/368035565.db2.gz PIVOBAOCADWUMA-MRVPVSSYSA-N 2 2 201.270 -1.218 20 0 BAADLP C[C@H]1C[N@@H+](CCOCC[NH3+])CC(=O)N1 ZINC000386921098 368035623 /nfs/dbraw/zinc/03/56/23/368035623.db2.gz PIVOBAOCADWUMA-QMMMGPOBSA-N 2 2 201.270 -1.218 20 0 BAADLP C[C@H]1C[N@H+](CCOCC[NH3+])CC(=O)N1 ZINC000386921098 368035618 /nfs/dbraw/zinc/03/56/18/368035618.db2.gz PIVOBAOCADWUMA-QMMMGPOBSA-N 2 2 201.270 -1.218 20 0 BAADLP CCOC[C@H](O)C[NH2+]C[C@@H](O)C[NH+](C)C ZINC000389570692 356992302 /nfs/dbraw/zinc/99/23/02/356992302.db2.gz BMSNTLBSYOHILM-NXEZZACHSA-N 2 2 220.313 -1.104 20 0 BAADLP CCOC[C@@H](O)C[NH2+]C[C@H](O)C[NH+](C)C ZINC000389570693 356992415 /nfs/dbraw/zinc/99/24/15/356992415.db2.gz BMSNTLBSYOHILM-UWVGGRQHSA-N 2 2 220.313 -1.104 20 0 BAADLP CCOC[C@H](O)C[NH2+]C[C@H](O)C[NH+](C)C ZINC000389570695 356992845 /nfs/dbraw/zinc/99/28/45/356992845.db2.gz BMSNTLBSYOHILM-VHSXEESVSA-N 2 2 220.313 -1.104 20 0 BAADLP CCOC[C@@H](O)C[NH2+]C[C@@H](O)C[NH+](C)C ZINC000389570699 356992611 /nfs/dbraw/zinc/99/26/11/356992611.db2.gz BMSNTLBSYOHILM-ZJUUUORDSA-N 2 2 220.313 -1.104 20 0 BAADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000389660117 488104750 /nfs/dbraw/zinc/10/47/50/488104750.db2.gz FTRJYGLIJBYDBH-BBBLOLIVSA-N 2 2 218.297 -1.664 20 0 BAADLP CC[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000389660117 488104746 /nfs/dbraw/zinc/10/47/46/488104746.db2.gz FTRJYGLIJBYDBH-BBBLOLIVSA-N 2 2 218.297 -1.664 20 0 BAADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H](O)[C@@H](O)C1 ZINC000389660117 488104739 /nfs/dbraw/zinc/10/47/39/488104739.db2.gz FTRJYGLIJBYDBH-BBBLOLIVSA-N 2 2 218.297 -1.664 20 0 BAADLP CC[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H](O)[C@@H](O)C1 ZINC000389660117 488104724 /nfs/dbraw/zinc/10/47/24/488104724.db2.gz FTRJYGLIJBYDBH-BBBLOLIVSA-N 2 2 218.297 -1.664 20 0 BAADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000389660129 397986969 /nfs/dbraw/zinc/98/69/69/397986969.db2.gz FTRJYGLIJBYDBH-GUBZILKMSA-N 2 2 218.297 -1.664 20 0 BAADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000389660129 397986965 /nfs/dbraw/zinc/98/69/65/397986965.db2.gz FTRJYGLIJBYDBH-GUBZILKMSA-N 2 2 218.297 -1.664 20 0 BAADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000389660133 488104570 /nfs/dbraw/zinc/10/45/70/488104570.db2.gz FTRJYGLIJBYDBH-LPEHRKFASA-N 2 2 218.297 -1.664 20 0 BAADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000389660133 488104565 /nfs/dbraw/zinc/10/45/65/488104565.db2.gz FTRJYGLIJBYDBH-LPEHRKFASA-N 2 2 218.297 -1.664 20 0 BAADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](O)[C@@H](O)C1 ZINC000389660133 488104559 /nfs/dbraw/zinc/10/45/59/488104559.db2.gz FTRJYGLIJBYDBH-LPEHRKFASA-N 2 2 218.297 -1.664 20 0 BAADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](O)[C@@H](O)C1 ZINC000389660133 488104555 /nfs/dbraw/zinc/10/45/55/488104555.db2.gz FTRJYGLIJBYDBH-LPEHRKFASA-N 2 2 218.297 -1.664 20 0 BAADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)CCO ZINC000389732565 357021254 /nfs/dbraw/zinc/02/12/54/357021254.db2.gz STZJNSAAWORQHW-JTQLQIEISA-N 2 2 220.313 -1.150 20 0 BAADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)CCO ZINC000389732565 357021250 /nfs/dbraw/zinc/02/12/50/357021250.db2.gz STZJNSAAWORQHW-JTQLQIEISA-N 2 2 220.313 -1.150 20 0 BAADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)CCO ZINC000389732565 357021247 /nfs/dbraw/zinc/02/12/47/357021247.db2.gz STZJNSAAWORQHW-JTQLQIEISA-N 2 2 220.313 -1.150 20 0 BAADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)CCO ZINC000389732565 357021244 /nfs/dbraw/zinc/02/12/44/357021244.db2.gz STZJNSAAWORQHW-JTQLQIEISA-N 2 2 220.313 -1.150 20 0 BAADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)CCO ZINC000389732569 357020900 /nfs/dbraw/zinc/02/09/00/357020900.db2.gz STZJNSAAWORQHW-SNVBAGLBSA-N 2 2 220.313 -1.150 20 0 BAADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)CCO ZINC000389732569 357020899 /nfs/dbraw/zinc/02/08/99/357020899.db2.gz STZJNSAAWORQHW-SNVBAGLBSA-N 2 2 220.313 -1.150 20 0 BAADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)CCO ZINC000389732569 357020897 /nfs/dbraw/zinc/02/08/97/357020897.db2.gz STZJNSAAWORQHW-SNVBAGLBSA-N 2 2 220.313 -1.150 20 0 BAADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)CCO ZINC000389732569 357020896 /nfs/dbraw/zinc/02/08/96/357020896.db2.gz STZJNSAAWORQHW-SNVBAGLBSA-N 2 2 220.313 -1.150 20 0 BAADLP CS(=O)(=O)NCC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000389888430 351044642 /nfs/dbraw/zinc/04/46/42/351044642.db2.gz TZWGSRNXOZGOKZ-IUCAKERBSA-N 2 2 233.337 -1.313 20 0 BAADLP CS(=O)(=O)NCC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000389888431 351044655 /nfs/dbraw/zinc/04/46/55/351044655.db2.gz TZWGSRNXOZGOKZ-RKDXNWHRSA-N 2 2 233.337 -1.313 20 0 BAADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](CCO)CCO ZINC000390475194 397891193 /nfs/dbraw/zinc/89/11/93/397891193.db2.gz ITTIJVOERSZBTN-LLVKDONJSA-N 2 2 234.340 -1.026 20 0 BAADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+](CCO)CCO ZINC000390475194 397891191 /nfs/dbraw/zinc/89/11/91/397891191.db2.gz ITTIJVOERSZBTN-LLVKDONJSA-N 2 2 234.340 -1.026 20 0 BAADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+](CCO)CCO ZINC000390475196 410024590 /nfs/dbraw/zinc/02/45/90/410024590.db2.gz ITTIJVOERSZBTN-NSHDSACASA-N 2 2 234.340 -1.026 20 0 BAADLP CC(C)[N@H+](C)C[C@H](O)C[NH+](CCO)CCO ZINC000390475196 410024585 /nfs/dbraw/zinc/02/45/85/410024585.db2.gz ITTIJVOERSZBTN-NSHDSACASA-N 2 2 234.340 -1.026 20 0 BAADLP NC(=O)NC(=O)C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000390633857 712422860 /nfs/dbraw/zinc/42/28/60/712422860.db2.gz JFVJPERKHNYBIM-JGVFFNPUSA-N 2 2 226.280 -1.277 20 0 BAADLP NC(=O)NC(=O)C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000390633857 712422859 /nfs/dbraw/zinc/42/28/59/712422859.db2.gz JFVJPERKHNYBIM-JGVFFNPUSA-N 2 2 226.280 -1.277 20 0 BAADLP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000390680736 711132197 /nfs/dbraw/zinc/13/21/97/711132197.db2.gz XHUHVFCXAOKHIV-GARJFASQSA-N 2 2 230.308 -1.520 20 0 BAADLP O[C@@H](C[NH+]1CCCC1)C[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000390680736 711132195 /nfs/dbraw/zinc/13/21/95/711132195.db2.gz XHUHVFCXAOKHIV-GARJFASQSA-N 2 2 230.308 -1.520 20 0 BAADLP O[C@H](C[NH+]1CCCC1)C[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000390680739 711131993 /nfs/dbraw/zinc/13/19/93/711131993.db2.gz XHUHVFCXAOKHIV-MXWKQRLJSA-N 2 2 230.308 -1.520 20 0 BAADLP O[C@H](C[NH+]1CCCC1)C[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000390680739 711131989 /nfs/dbraw/zinc/13/19/89/711131989.db2.gz XHUHVFCXAOKHIV-MXWKQRLJSA-N 2 2 230.308 -1.520 20 0 BAADLP CC[N@@H+](C)C[C@H](O)C[NH+](CCO)CCO ZINC000393738301 357294700 /nfs/dbraw/zinc/29/47/00/357294700.db2.gz ZNIVWGRHTADJOB-JTQLQIEISA-N 2 2 220.313 -1.414 20 0 BAADLP CC[N@H+](C)C[C@H](O)C[NH+](CCO)CCO ZINC000393738301 357294695 /nfs/dbraw/zinc/29/46/95/357294695.db2.gz ZNIVWGRHTADJOB-JTQLQIEISA-N 2 2 220.313 -1.414 20 0 BAADLP CC[N@@H+](C)C[C@@H](O)C[NH+](CCO)CCO ZINC000393738312 357294598 /nfs/dbraw/zinc/29/45/98/357294598.db2.gz ZNIVWGRHTADJOB-SNVBAGLBSA-N 2 2 220.313 -1.414 20 0 BAADLP CC[N@H+](C)C[C@@H](O)C[NH+](CCO)CCO ZINC000393738312 357294596 /nfs/dbraw/zinc/29/45/96/357294596.db2.gz ZNIVWGRHTADJOB-SNVBAGLBSA-N 2 2 220.313 -1.414 20 0 BAADLP NC(=O)NC(=O)C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000393747040 357295389 /nfs/dbraw/zinc/29/53/89/357295389.db2.gz NGQMSNMDABYASB-HTQZYQBOSA-N 2 2 226.280 -1.135 20 0 BAADLP NC(=O)NC(=O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000393747040 357295385 /nfs/dbraw/zinc/29/53/85/357295385.db2.gz NGQMSNMDABYASB-HTQZYQBOSA-N 2 2 226.280 -1.135 20 0 BAADLP NC(=O)NC(=O)C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000393747041 357295512 /nfs/dbraw/zinc/29/55/12/357295512.db2.gz NGQMSNMDABYASB-JGVFFNPUSA-N 2 2 226.280 -1.135 20 0 BAADLP NC(=O)NC(=O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000393747041 357295508 /nfs/dbraw/zinc/29/55/08/357295508.db2.gz NGQMSNMDABYASB-JGVFFNPUSA-N 2 2 226.280 -1.135 20 0 BAADLP NC(=O)NC(=O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000393747044 357295793 /nfs/dbraw/zinc/29/57/93/357295793.db2.gz NGQMSNMDABYASB-SFYZADRCSA-N 2 2 226.280 -1.135 20 0 BAADLP NC(=O)NC(=O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000393747044 357295790 /nfs/dbraw/zinc/29/57/90/357295790.db2.gz NGQMSNMDABYASB-SFYZADRCSA-N 2 2 226.280 -1.135 20 0 BAADLP NC(=O)NC(=O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000393747047 357295490 /nfs/dbraw/zinc/29/54/90/357295490.db2.gz NGQMSNMDABYASB-YUMQZZPRSA-N 2 2 226.280 -1.135 20 0 BAADLP NC(=O)NC(=O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000393747047 357295487 /nfs/dbraw/zinc/29/54/87/357295487.db2.gz NGQMSNMDABYASB-YUMQZZPRSA-N 2 2 226.280 -1.135 20 0 BAADLP C[N@@H+](C[C@H](O)C[NH2+]C[C@@](C)(O)CO)C1CC1 ZINC000393769345 357297347 /nfs/dbraw/zinc/29/73/47/357297347.db2.gz RVRQARNOQRUOTP-GHMZBOCLSA-N 2 2 232.324 -1.226 20 0 BAADLP C[N@H+](C[C@H](O)C[NH2+]C[C@@](C)(O)CO)C1CC1 ZINC000393769345 357297345 /nfs/dbraw/zinc/29/73/45/357297345.db2.gz RVRQARNOQRUOTP-GHMZBOCLSA-N 2 2 232.324 -1.226 20 0 BAADLP C[N@@H+](C[C@H](O)C[NH2+]C[C@](C)(O)CO)C1CC1 ZINC000393769350 357297523 /nfs/dbraw/zinc/29/75/23/357297523.db2.gz RVRQARNOQRUOTP-MNOVXSKESA-N 2 2 232.324 -1.226 20 0 BAADLP C[N@H+](C[C@H](O)C[NH2+]C[C@](C)(O)CO)C1CC1 ZINC000393769350 357297518 /nfs/dbraw/zinc/29/75/18/357297518.db2.gz RVRQARNOQRUOTP-MNOVXSKESA-N 2 2 232.324 -1.226 20 0 BAADLP C[N@@H+](C[C@@H](O)C[NH2+]C[C@](C)(O)CO)C1CC1 ZINC000393769352 357297327 /nfs/dbraw/zinc/29/73/27/357297327.db2.gz RVRQARNOQRUOTP-QWRGUYRKSA-N 2 2 232.324 -1.226 20 0 BAADLP C[N@H+](C[C@@H](O)C[NH2+]C[C@](C)(O)CO)C1CC1 ZINC000393769352 357297323 /nfs/dbraw/zinc/29/73/23/357297323.db2.gz RVRQARNOQRUOTP-QWRGUYRKSA-N 2 2 232.324 -1.226 20 0 BAADLP C[N@@H+](C[C@@H](O)C[NH2+]C[C@@](C)(O)CO)C1CC1 ZINC000393769354 357297846 /nfs/dbraw/zinc/29/78/46/357297846.db2.gz RVRQARNOQRUOTP-WDEREUQCSA-N 2 2 232.324 -1.226 20 0 BAADLP C[N@H+](C[C@@H](O)C[NH2+]C[C@@](C)(O)CO)C1CC1 ZINC000393769354 357297845 /nfs/dbraw/zinc/29/78/45/357297845.db2.gz RVRQARNOQRUOTP-WDEREUQCSA-N 2 2 232.324 -1.226 20 0 BAADLP [NH3+]CCC(=O)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000394386452 487670377 /nfs/dbraw/zinc/67/03/77/487670377.db2.gz PKQGFAIHXYODNN-JTQLQIEISA-N 2 2 226.324 -1.159 20 0 BAADLP [NH3+]CCC(=O)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000394386452 487670376 /nfs/dbraw/zinc/67/03/76/487670376.db2.gz PKQGFAIHXYODNN-JTQLQIEISA-N 2 2 226.324 -1.159 20 0 BAADLP [NH3+]CCC(=O)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000394386454 487670389 /nfs/dbraw/zinc/67/03/89/487670389.db2.gz PKQGFAIHXYODNN-SNVBAGLBSA-N 2 2 226.324 -1.159 20 0 BAADLP [NH3+]CCC(=O)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000394386454 487670388 /nfs/dbraw/zinc/67/03/88/487670388.db2.gz PKQGFAIHXYODNN-SNVBAGLBSA-N 2 2 226.324 -1.159 20 0 BAADLP Cn1nncc1CN1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000394921401 357399417 /nfs/dbraw/zinc/39/94/17/357399417.db2.gz NPSNHEFXEJVJEB-SECBINFHSA-N 2 2 224.312 -1.110 20 0 BAADLP Cn1nncc1CN1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000394921401 357399416 /nfs/dbraw/zinc/39/94/16/357399416.db2.gz NPSNHEFXEJVJEB-SECBINFHSA-N 2 2 224.312 -1.110 20 0 BAADLP Cn1nncc1CN1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000394921403 357399399 /nfs/dbraw/zinc/39/93/99/357399399.db2.gz NPSNHEFXEJVJEB-VIFPVBQESA-N 2 2 224.312 -1.110 20 0 BAADLP Cn1nncc1CN1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000394921403 357399396 /nfs/dbraw/zinc/39/93/96/357399396.db2.gz NPSNHEFXEJVJEB-VIFPVBQESA-N 2 2 224.312 -1.110 20 0 BAADLP CC[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](OC)C1 ZINC000395339686 487853779 /nfs/dbraw/zinc/85/37/79/487853779.db2.gz YWZILKQDDUUTFU-GMTAPVOTSA-N 2 2 232.324 -1.010 20 0 BAADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](OC)C1 ZINC000395339686 487853772 /nfs/dbraw/zinc/85/37/72/487853772.db2.gz YWZILKQDDUUTFU-GMTAPVOTSA-N 2 2 232.324 -1.010 20 0 BAADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H](O)[C@H](OC)C1 ZINC000395339686 487853766 /nfs/dbraw/zinc/85/37/66/487853766.db2.gz YWZILKQDDUUTFU-GMTAPVOTSA-N 2 2 232.324 -1.010 20 0 BAADLP CC[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H](O)[C@H](OC)C1 ZINC000395339686 487853760 /nfs/dbraw/zinc/85/37/60/487853760.db2.gz YWZILKQDDUUTFU-GMTAPVOTSA-N 2 2 232.324 -1.010 20 0 BAADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](OC)C1 ZINC000395339688 487853740 /nfs/dbraw/zinc/85/37/40/487853740.db2.gz YWZILKQDDUUTFU-HBNTYKKESA-N 2 2 232.324 -1.010 20 0 BAADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](OC)C1 ZINC000395339688 487853733 /nfs/dbraw/zinc/85/37/33/487853733.db2.gz YWZILKQDDUUTFU-HBNTYKKESA-N 2 2 232.324 -1.010 20 0 BAADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](O)[C@H](OC)C1 ZINC000395339688 487853726 /nfs/dbraw/zinc/85/37/26/487853726.db2.gz YWZILKQDDUUTFU-HBNTYKKESA-N 2 2 232.324 -1.010 20 0 BAADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](O)[C@H](OC)C1 ZINC000395339688 487853719 /nfs/dbraw/zinc/85/37/19/487853719.db2.gz YWZILKQDDUUTFU-HBNTYKKESA-N 2 2 232.324 -1.010 20 0 BAADLP C[C@H]1C[N@@H+](CCN2CC[NH2+]CC2)CC(=O)N1 ZINC000395682279 357445279 /nfs/dbraw/zinc/44/52/79/357445279.db2.gz AKXIVUPHQUQHIM-JTQLQIEISA-N 2 2 226.324 -1.288 20 0 BAADLP C[C@H]1C[N@H+](CCN2CC[NH2+]CC2)CC(=O)N1 ZINC000395682279 357445275 /nfs/dbraw/zinc/44/52/75/357445275.db2.gz AKXIVUPHQUQHIM-JTQLQIEISA-N 2 2 226.324 -1.288 20 0 BAADLP C[C@@H]1C[N@@H+](CCN2CC[NH2+]CC2)CC(=O)N1 ZINC000395682282 357444925 /nfs/dbraw/zinc/44/49/25/357444925.db2.gz AKXIVUPHQUQHIM-SNVBAGLBSA-N 2 2 226.324 -1.288 20 0 BAADLP C[C@@H]1C[N@H+](CCN2CC[NH2+]CC2)CC(=O)N1 ZINC000395682282 357444921 /nfs/dbraw/zinc/44/49/21/357444921.db2.gz AKXIVUPHQUQHIM-SNVBAGLBSA-N 2 2 226.324 -1.288 20 0 BAADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCOC[C@H](O)C1 ZINC000399957794 344742884 /nfs/dbraw/zinc/74/28/84/344742884.db2.gz CLYDPJSQEWEZFL-GHMZBOCLSA-N 2 2 232.324 -1.008 20 0 BAADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCOC[C@H](O)C1 ZINC000399957794 344742880 /nfs/dbraw/zinc/74/28/80/344742880.db2.gz CLYDPJSQEWEZFL-GHMZBOCLSA-N 2 2 232.324 -1.008 20 0 BAADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCOC[C@H](O)C1 ZINC000399957794 344742877 /nfs/dbraw/zinc/74/28/77/344742877.db2.gz CLYDPJSQEWEZFL-GHMZBOCLSA-N 2 2 232.324 -1.008 20 0 BAADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCOC[C@H](O)C1 ZINC000399957794 344742873 /nfs/dbraw/zinc/74/28/73/344742873.db2.gz CLYDPJSQEWEZFL-GHMZBOCLSA-N 2 2 232.324 -1.008 20 0 BAADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCOC[C@@H](O)C1 ZINC000399957796 344743045 /nfs/dbraw/zinc/74/30/45/344743045.db2.gz CLYDPJSQEWEZFL-MNOVXSKESA-N 2 2 232.324 -1.008 20 0 BAADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCOC[C@@H](O)C1 ZINC000399957796 344743044 /nfs/dbraw/zinc/74/30/44/344743044.db2.gz CLYDPJSQEWEZFL-MNOVXSKESA-N 2 2 232.324 -1.008 20 0 BAADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCOC[C@@H](O)C1 ZINC000399957796 344743043 /nfs/dbraw/zinc/74/30/43/344743043.db2.gz CLYDPJSQEWEZFL-MNOVXSKESA-N 2 2 232.324 -1.008 20 0 BAADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCOC[C@@H](O)C1 ZINC000399957796 344743042 /nfs/dbraw/zinc/74/30/42/344743042.db2.gz CLYDPJSQEWEZFL-MNOVXSKESA-N 2 2 232.324 -1.008 20 0 BAADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCOC[C@@H](O)C1 ZINC000399957797 344743015 /nfs/dbraw/zinc/74/30/15/344743015.db2.gz CLYDPJSQEWEZFL-QWRGUYRKSA-N 2 2 232.324 -1.008 20 0 BAADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCOC[C@@H](O)C1 ZINC000399957797 344743014 /nfs/dbraw/zinc/74/30/14/344743014.db2.gz CLYDPJSQEWEZFL-QWRGUYRKSA-N 2 2 232.324 -1.008 20 0 BAADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCOC[C@@H](O)C1 ZINC000399957797 344743013 /nfs/dbraw/zinc/74/30/13/344743013.db2.gz CLYDPJSQEWEZFL-QWRGUYRKSA-N 2 2 232.324 -1.008 20 0 BAADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCOC[C@@H](O)C1 ZINC000399957797 344743012 /nfs/dbraw/zinc/74/30/12/344743012.db2.gz CLYDPJSQEWEZFL-QWRGUYRKSA-N 2 2 232.324 -1.008 20 0 BAADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCOC[C@H](O)C1 ZINC000399957798 344742906 /nfs/dbraw/zinc/74/29/06/344742906.db2.gz CLYDPJSQEWEZFL-WDEREUQCSA-N 2 2 232.324 -1.008 20 0 BAADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCOC[C@H](O)C1 ZINC000399957798 344742903 /nfs/dbraw/zinc/74/29/03/344742903.db2.gz CLYDPJSQEWEZFL-WDEREUQCSA-N 2 2 232.324 -1.008 20 0 BAADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCOC[C@H](O)C1 ZINC000399957798 344742900 /nfs/dbraw/zinc/74/29/00/344742900.db2.gz CLYDPJSQEWEZFL-WDEREUQCSA-N 2 2 232.324 -1.008 20 0 BAADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCOC[C@H](O)C1 ZINC000399957798 344742896 /nfs/dbraw/zinc/74/28/96/344742896.db2.gz CLYDPJSQEWEZFL-WDEREUQCSA-N 2 2 232.324 -1.008 20 0 BAADLP CS(=O)(=O)N1CC[C@H]([NH2+][C@@H]2CC[NH2+]C2)C1 ZINC000400246074 344444976 /nfs/dbraw/zinc/44/49/76/344444976.db2.gz KBDOXJWDUCTGOI-BDAKNGLRSA-N 2 2 233.337 -1.028 20 0 BAADLP CS(=O)(=O)N1CC[C@@H]([NH2+][C@H]2CC[NH2+]C2)C1 ZINC000400246076 344444778 /nfs/dbraw/zinc/44/47/78/344444778.db2.gz KBDOXJWDUCTGOI-DTWKUNHWSA-N 2 2 233.337 -1.028 20 0 BAADLP CS(=O)(=O)N1CC[C@H]([NH2+][C@H]2CC[NH2+]C2)C1 ZINC000400246078 344444860 /nfs/dbraw/zinc/44/48/60/344444860.db2.gz KBDOXJWDUCTGOI-IUCAKERBSA-N 2 2 233.337 -1.028 20 0 BAADLP CS(=O)(=O)N1CC[C@@H]([NH2+][C@@H]2CC[NH2+]C2)C1 ZINC000400246079 344444828 /nfs/dbraw/zinc/44/48/28/344444828.db2.gz KBDOXJWDUCTGOI-RKDXNWHRSA-N 2 2 233.337 -1.028 20 0 BAADLP CCO[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1C[NH3+] ZINC000405233090 369449050 /nfs/dbraw/zinc/44/90/50/369449050.db2.gz XCLQUFZEHZLIEN-HTQZYQBOSA-N 2 2 244.295 -1.523 20 0 BAADLP CCO[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1C[NH3+] ZINC000405233090 369449045 /nfs/dbraw/zinc/44/90/45/369449045.db2.gz XCLQUFZEHZLIEN-HTQZYQBOSA-N 2 2 244.295 -1.523 20 0 BAADLP CCO[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C[NH3+] ZINC000405577336 411435989 /nfs/dbraw/zinc/43/59/89/411435989.db2.gz JDSANFZVINOKAT-HTQZYQBOSA-N 2 2 201.270 -1.233 20 0 BAADLP CCO[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C[NH3+] ZINC000405577336 411435987 /nfs/dbraw/zinc/43/59/87/411435987.db2.gz JDSANFZVINOKAT-HTQZYQBOSA-N 2 2 201.270 -1.233 20 0 BAADLP CC[NH+]1CCN(C(=O)C(=O)NCC[NH2+]C)CC1 ZINC000419882569 192147998 /nfs/dbraw/zinc/14/79/98/192147998.db2.gz XZHGDHOVEKMERX-UHFFFAOYSA-N 2 2 242.323 -1.514 20 0 BAADLP CC[NH+]1CCN(C(=O)C(=O)N[C@H](C)C[NH3+])CC1 ZINC000419988368 192155718 /nfs/dbraw/zinc/15/57/18/192155718.db2.gz FMWYURBXMKERTH-SECBINFHSA-N 2 2 242.323 -1.386 20 0 BAADLP CC[NH+]1CCN(C(=O)C(=O)N[C@@H](C)C[NH3+])CC1 ZINC000420010526 192153932 /nfs/dbraw/zinc/15/39/32/192153932.db2.gz FMWYURBXMKERTH-VIFPVBQESA-N 2 2 242.323 -1.386 20 0 BAADLP CC[NH+]1CCN(C(=O)C(=O)N(C)CC[NH3+])CC1 ZINC000422979993 387791340 /nfs/dbraw/zinc/79/13/40/387791340.db2.gz OFPYYIDOGWOGNG-UHFFFAOYSA-N 2 2 242.323 -1.432 20 0 BAADLP O=C(CN1CC[NH2+]CC1=O)NCc1[nH]cc[nH+]1 ZINC000430745004 387646658 /nfs/dbraw/zinc/64/66/58/387646658.db2.gz XHKLLXJAZKUFQS-UHFFFAOYSA-N 2 2 237.263 -1.542 20 0 BAADLP C[NH2+]CC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000430796815 387650952 /nfs/dbraw/zinc/65/09/52/387650952.db2.gz BNPLHZUDLYTVDI-UHFFFAOYSA-N 2 2 242.323 -1.386 20 0 BAADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)C[NH3+])CC1 ZINC000430801544 387654893 /nfs/dbraw/zinc/65/48/93/387654893.db2.gz DHUAATZUKNBSJL-UHFFFAOYSA-N 2 2 228.296 -1.647 20 0 BAADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)CC[NH3+])CC1 ZINC000430810429 387653409 /nfs/dbraw/zinc/65/34/09/387653409.db2.gz UWJCTGOFEGAIJR-UHFFFAOYSA-N 2 2 242.323 -1.257 20 0 BAADLP O=C(COC1C[NH2+]C1)NCCn1cc[nH+]c1 ZINC000430829713 387655001 /nfs/dbraw/zinc/65/50/01/387655001.db2.gz HGBKLUSBIWMRDP-UHFFFAOYSA-N 2 2 224.264 -1.012 20 0 BAADLP O=C(COC1C[NH2+]C1)NCC[NH+]1CCOCC1 ZINC000430838088 398231799 /nfs/dbraw/zinc/23/17/99/398231799.db2.gz LVZKFZDRRQMZHB-UHFFFAOYSA-N 2 2 243.307 -1.577 20 0 BAADLP [NH3+]C[C@H]1CC[N@@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000430967266 387666063 /nfs/dbraw/zinc/66/60/63/387666063.db2.gz RGXLNWWFWKIFIN-SECBINFHSA-N 2 2 240.307 -1.775 20 0 BAADLP [NH3+]C[C@H]1CC[N@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000430967266 387666057 /nfs/dbraw/zinc/66/60/57/387666057.db2.gz RGXLNWWFWKIFIN-SECBINFHSA-N 2 2 240.307 -1.775 20 0 BAADLP [NH3+]C[C@@H]1CC[N@@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000430967267 387664861 /nfs/dbraw/zinc/66/48/61/387664861.db2.gz RGXLNWWFWKIFIN-VIFPVBQESA-N 2 2 240.307 -1.775 20 0 BAADLP [NH3+]C[C@@H]1CC[N@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000430967267 387664859 /nfs/dbraw/zinc/66/48/59/387664859.db2.gz RGXLNWWFWKIFIN-VIFPVBQESA-N 2 2 240.307 -1.775 20 0 BAADLP C[C@H](CNC(=O)CN1CC[NH2+]CC1=O)[NH+](C)C ZINC000431061097 387676360 /nfs/dbraw/zinc/67/63/60/387676360.db2.gz URMLLESGYHAEPS-SECBINFHSA-N 2 2 242.323 -1.516 20 0 BAADLP C[C@@H](CNC(=O)CN1CC[NH2+]CC1=O)[NH+](C)C ZINC000431061101 387676303 /nfs/dbraw/zinc/67/63/03/387676303.db2.gz URMLLESGYHAEPS-VIFPVBQESA-N 2 2 242.323 -1.516 20 0 BAADLP C[NH+](CCCO)CC(O)C[N@@H+](C)CCCO ZINC000440964201 387720229 /nfs/dbraw/zinc/72/02/29/387720229.db2.gz RBSIAGOVUYKAIF-UHFFFAOYSA-N 2 2 234.340 -1.024 20 0 BAADLP C[NH+](CCCO)CC(O)C[N@H+](C)CCCO ZINC000440964201 387720222 /nfs/dbraw/zinc/72/02/22/387720222.db2.gz RBSIAGOVUYKAIF-UHFFFAOYSA-N 2 2 234.340 -1.024 20 0 BAADLP C[C@@H]([NH3+])CN(CCO)CC[NH+]1CCOCC1 ZINC000442667381 488130593 /nfs/dbraw/zinc/13/05/93/488130593.db2.gz ZKXWHVJNSHBFIM-LLVKDONJSA-N 2 2 231.340 -1.040 20 0 BAADLP C[C@H]([NH3+])CN(CCO)CC[NH+]1CCOCC1 ZINC000442667384 487889877 /nfs/dbraw/zinc/88/98/77/487889877.db2.gz ZKXWHVJNSHBFIM-NSHDSACASA-N 2 2 231.340 -1.040 20 0 BAADLP CN(C(=O)CN1CC[NH2+]CC1=O)C1CC([NH3+])C1 ZINC000449627001 388245357 /nfs/dbraw/zinc/24/53/57/388245357.db2.gz FJXDQILZBQTDCU-UHFFFAOYSA-N 2 2 240.307 -1.634 20 0 BAADLP COC(=O)NCC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000496899133 534028172 /nfs/dbraw/zinc/02/81/72/534028172.db2.gz BSUGZFUOFMPSQE-MRVPVSSYSA-N 2 2 244.295 -1.556 20 0 BAADLP COC(=O)NCC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000496899133 534028167 /nfs/dbraw/zinc/02/81/67/534028167.db2.gz BSUGZFUOFMPSQE-MRVPVSSYSA-N 2 2 244.295 -1.556 20 0 BAADLP COC(=O)NCC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000496899134 534027995 /nfs/dbraw/zinc/02/79/95/534027995.db2.gz BSUGZFUOFMPSQE-QMMMGPOBSA-N 2 2 244.295 -1.556 20 0 BAADLP COC(=O)NCC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000496899134 534027989 /nfs/dbraw/zinc/02/79/89/534027989.db2.gz BSUGZFUOFMPSQE-QMMMGPOBSA-N 2 2 244.295 -1.556 20 0 BAADLP CC(=O)N[C@H](C)C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000515299189 387360853 /nfs/dbraw/zinc/36/08/53/387360853.db2.gz QTGVBUXWSBWZKH-PSASIEDQSA-N 2 2 242.323 -1.388 20 0 BAADLP CC(=O)N[C@H](C)C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000515299189 387360851 /nfs/dbraw/zinc/36/08/51/387360851.db2.gz QTGVBUXWSBWZKH-PSASIEDQSA-N 2 2 242.323 -1.388 20 0 BAADLP CC(=O)N[C@H](C)C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000515299190 387361432 /nfs/dbraw/zinc/36/14/32/387361432.db2.gz QTGVBUXWSBWZKH-SCZZXKLOSA-N 2 2 242.323 -1.388 20 0 BAADLP CC(=O)N[C@H](C)C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000515299190 387361425 /nfs/dbraw/zinc/36/14/25/387361425.db2.gz QTGVBUXWSBWZKH-SCZZXKLOSA-N 2 2 242.323 -1.388 20 0 BAADLP CC(=O)N[C@@H](C)C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000515299191 387360980 /nfs/dbraw/zinc/36/09/80/387360980.db2.gz QTGVBUXWSBWZKH-WCBMZHEXSA-N 2 2 242.323 -1.388 20 0 BAADLP CC(=O)N[C@@H](C)C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000515299191 387360975 /nfs/dbraw/zinc/36/09/75/387360975.db2.gz QTGVBUXWSBWZKH-WCBMZHEXSA-N 2 2 242.323 -1.388 20 0 BAADLP CC(=O)N[C@@H](C)C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000515299192 387361330 /nfs/dbraw/zinc/36/13/30/387361330.db2.gz QTGVBUXWSBWZKH-WPRPVWTQSA-N 2 2 242.323 -1.388 20 0 BAADLP CC(=O)N[C@@H](C)C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000515299192 387361325 /nfs/dbraw/zinc/36/13/25/387361325.db2.gz QTGVBUXWSBWZKH-WPRPVWTQSA-N 2 2 242.323 -1.388 20 0 BAADLP CN(CC[NH3+])C(=O)CN1CC[NH2+]CC1=O ZINC000516650451 385009520 /nfs/dbraw/zinc/00/95/20/385009520.db2.gz YANGGTPTHPJDAQ-UHFFFAOYSA-N 2 2 214.269 -2.165 20 0 BAADLP CN(C(=O)CN1CC[NH2+]CC1=O)[C@@H]1CC[NH2+]C1 ZINC000518530755 256578487 /nfs/dbraw/zinc/57/84/87/256578487.db2.gz DGPWVGRGPQFCQN-SECBINFHSA-N 2 2 240.307 -1.762 20 0 BAADLP CN(C(=O)CN1CC[NH2+]CC1=O)[C@H]1CC[NH2+]C1 ZINC000518530756 383989208 /nfs/dbraw/zinc/98/92/08/383989208.db2.gz DGPWVGRGPQFCQN-VIFPVBQESA-N 2 2 240.307 -1.762 20 0 BAADLP [NH3+]CC[N@@H+](CCO)CCN1CC[NH2+]CC1 ZINC000518534394 383986543 /nfs/dbraw/zinc/98/65/43/383986543.db2.gz GNRMQMQJEAGJSV-UHFFFAOYSA-N 3 2 216.329 -1.855 20 0 BAADLP [NH3+]CC[N@H+](CCO)CCN1CC[NH2+]CC1 ZINC000518534394 383986539 /nfs/dbraw/zinc/98/65/39/383986539.db2.gz GNRMQMQJEAGJSV-UHFFFAOYSA-N 3 2 216.329 -1.855 20 0 BAADLP C[NH2+]CCC[N@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000519764504 386551305 /nfs/dbraw/zinc/55/13/05/386551305.db2.gz CHYZOTWZDKETIS-MRVPVSSYSA-N 2 2 221.326 -1.041 20 0 BAADLP C[NH2+]CCC[N@@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000519764504 386551299 /nfs/dbraw/zinc/55/12/99/386551299.db2.gz CHYZOTWZDKETIS-MRVPVSSYSA-N 2 2 221.326 -1.041 20 0 BAADLP C[NH2+]CCC[N@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000519764643 256659302 /nfs/dbraw/zinc/65/93/02/256659302.db2.gz CHYZOTWZDKETIS-QMMMGPOBSA-N 2 2 221.326 -1.041 20 0 BAADLP C[NH2+]CCC[N@@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000519764643 256659301 /nfs/dbraw/zinc/65/93/01/256659301.db2.gz CHYZOTWZDKETIS-QMMMGPOBSA-N 2 2 221.326 -1.041 20 0 BAADLP CC[N@@H+](CCO)CC[NH2+]CCC(=O)NC(N)=O ZINC000521044059 388560796 /nfs/dbraw/zinc/56/07/96/388560796.db2.gz PVYZHSOFRGDKRA-UHFFFAOYSA-N 2 2 246.311 -1.525 20 0 BAADLP CC[N@H+](CCO)CC[NH2+]CCC(=O)NC(N)=O ZINC000521044059 388560793 /nfs/dbraw/zinc/56/07/93/388560793.db2.gz PVYZHSOFRGDKRA-UHFFFAOYSA-N 2 2 246.311 -1.525 20 0 BAADLP C[N@@H+](CCNS(C)(=O)=O)C1CC([NH3+])C1 ZINC000521876001 388638635 /nfs/dbraw/zinc/63/86/35/388638635.db2.gz HOIZYCOKNNIJIF-UHFFFAOYSA-N 2 2 221.326 -1.043 20 0 BAADLP C[N@H+](CCNS(C)(=O)=O)C1CC([NH3+])C1 ZINC000521876001 388638634 /nfs/dbraw/zinc/63/86/34/388638634.db2.gz HOIZYCOKNNIJIF-UHFFFAOYSA-N 2 2 221.326 -1.043 20 0 BAADLP C[NH+]1CCN(C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000529371663 324281226 /nfs/dbraw/zinc/28/12/26/324281226.db2.gz FMKRCZCELPTJNG-JTQLQIEISA-N 2 2 242.323 -1.068 20 0 BAADLP C[NH+]1CCN(C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000529371664 324281307 /nfs/dbraw/zinc/28/13/07/324281307.db2.gz FMKRCZCELPTJNG-SNVBAGLBSA-N 2 2 242.323 -1.068 20 0 BAADLP CNC(=O)NC[C@@H]1C[N@@H+](CCC[NH3+])CCO1 ZINC000530230082 388637240 /nfs/dbraw/zinc/63/72/40/388637240.db2.gz CLPSVBUAINRKJC-SECBINFHSA-N 2 2 230.312 -1.035 20 0 BAADLP CNC(=O)NC[C@@H]1C[N@H+](CCC[NH3+])CCO1 ZINC000530230082 388637239 /nfs/dbraw/zinc/63/72/39/388637239.db2.gz CLPSVBUAINRKJC-SECBINFHSA-N 2 2 230.312 -1.035 20 0 BAADLP CNC(=O)NC[C@H]1C[N@@H+](CCC[NH3+])CCO1 ZINC000530230093 388637276 /nfs/dbraw/zinc/63/72/76/388637276.db2.gz CLPSVBUAINRKJC-VIFPVBQESA-N 2 2 230.312 -1.035 20 0 BAADLP CNC(=O)NC[C@H]1C[N@H+](CCC[NH3+])CCO1 ZINC000530230093 388637273 /nfs/dbraw/zinc/63/72/73/388637273.db2.gz CLPSVBUAINRKJC-VIFPVBQESA-N 2 2 230.312 -1.035 20 0 BAADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](O)C[C@H]1CO ZINC000555880640 490197768 /nfs/dbraw/zinc/19/77/68/490197768.db2.gz RCMHMRIHNXECMF-DCAQKATOSA-N 2 2 232.324 -1.274 20 0 BAADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000555880640 490197763 /nfs/dbraw/zinc/19/77/63/490197763.db2.gz RCMHMRIHNXECMF-DCAQKATOSA-N 2 2 232.324 -1.274 20 0 BAADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](O)C[C@H]1CO ZINC000555880640 490197757 /nfs/dbraw/zinc/19/77/57/490197757.db2.gz RCMHMRIHNXECMF-DCAQKATOSA-N 2 2 232.324 -1.274 20 0 BAADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](O)C[C@H]1CO ZINC000555880640 490197749 /nfs/dbraw/zinc/19/77/49/490197749.db2.gz RCMHMRIHNXECMF-DCAQKATOSA-N 2 2 232.324 -1.274 20 0 BAADLP CC[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H](O)C[C@H]1CO ZINC000555880643 490197108 /nfs/dbraw/zinc/19/71/08/490197108.db2.gz RCMHMRIHNXECMF-GARJFASQSA-N 2 2 232.324 -1.274 20 0 BAADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000555880643 490197105 /nfs/dbraw/zinc/19/71/05/490197105.db2.gz RCMHMRIHNXECMF-GARJFASQSA-N 2 2 232.324 -1.274 20 0 BAADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H](O)C[C@H]1CO ZINC000555880643 490197099 /nfs/dbraw/zinc/19/70/99/490197099.db2.gz RCMHMRIHNXECMF-GARJFASQSA-N 2 2 232.324 -1.274 20 0 BAADLP CC[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H](O)C[C@H]1CO ZINC000555880643 490197098 /nfs/dbraw/zinc/19/70/98/490197098.db2.gz RCMHMRIHNXECMF-GARJFASQSA-N 2 2 232.324 -1.274 20 0 BAADLP C[NH+](C[C@@H](O)C[N@H+]1C[C@@H](O)C[C@H]1CO)C1CC1 ZINC000558460145 384022001 /nfs/dbraw/zinc/02/20/01/384022001.db2.gz MYSWOEWHJVIGST-SDDRHHMPSA-N 2 2 244.335 -1.131 20 0 BAADLP C[NH+](C[C@@H](O)C[N@@H+]1C[C@@H](O)C[C@H]1CO)C1CC1 ZINC000558460145 384021993 /nfs/dbraw/zinc/02/19/93/384021993.db2.gz MYSWOEWHJVIGST-SDDRHHMPSA-N 2 2 244.335 -1.131 20 0 BAADLP C[N@@H+](C[C@@H](O)C[NH+]1C[C@@H](O)C[C@H]1CO)C1CC1 ZINC000558460145 384021981 /nfs/dbraw/zinc/02/19/81/384021981.db2.gz MYSWOEWHJVIGST-SDDRHHMPSA-N 2 2 244.335 -1.131 20 0 BAADLP C[N@H+](C[C@@H](O)C[NH+]1C[C@@H](O)C[C@H]1CO)C1CC1 ZINC000558460145 384021974 /nfs/dbraw/zinc/02/19/74/384021974.db2.gz MYSWOEWHJVIGST-SDDRHHMPSA-N 2 2 244.335 -1.131 20 0 BAADLP C[N@H+]1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])[C@H](C[NH3+])C1 ZINC000563101408 323092387 /nfs/dbraw/zinc/09/23/87/323092387.db2.gz CIJIWOUBSDMXRL-HLTSFMKQSA-N 3 2 212.297 -1.565 20 0 BAADLP C[N@H+]1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])[C@@H](C[NH3+])C1 ZINC000563101412 323092457 /nfs/dbraw/zinc/09/24/57/323092457.db2.gz CIJIWOUBSDMXRL-YIZRAAEISA-N 3 2 212.297 -1.565 20 0 BAADLP C[NH2+]C[C@@H](C)C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000563101548 323092491 /nfs/dbraw/zinc/09/24/91/323092491.db2.gz KMFAVWMFNMWCAV-NXEZZACHSA-N 3 2 228.340 -1.057 20 0 BAADLP C[NH2+]C[C@H](C)C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000563101549 323092336 /nfs/dbraw/zinc/09/23/36/323092336.db2.gz KMFAVWMFNMWCAV-UWVGGRQHSA-N 3 2 228.340 -1.057 20 0 BAADLP C[NH2+]C[C@H](C)C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000563101550 323092431 /nfs/dbraw/zinc/09/24/31/323092431.db2.gz KMFAVWMFNMWCAV-VHSXEESVSA-N 3 2 228.340 -1.057 20 0 BAADLP C[NH2+]C[C@@H](C)C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000563101551 323092340 /nfs/dbraw/zinc/09/23/40/323092340.db2.gz KMFAVWMFNMWCAV-ZJUUUORDSA-N 3 2 228.340 -1.057 20 0 BAADLP C[NH2+]CCCN(C)C(=O)CN1CC[NH2+]CC1=O ZINC000563112642 323093170 /nfs/dbraw/zinc/09/31/70/323093170.db2.gz IHYUDAKZDPEEFC-UHFFFAOYSA-N 2 2 242.323 -1.514 20 0 BAADLP NC(=O)C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000563151023 323095565 /nfs/dbraw/zinc/09/55/65/323095565.db2.gz PNDJYIWEVJKXIU-SECBINFHSA-N 2 2 240.307 -1.632 20 0 BAADLP NC(=O)C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000563151023 323095564 /nfs/dbraw/zinc/09/55/64/323095564.db2.gz PNDJYIWEVJKXIU-SECBINFHSA-N 2 2 240.307 -1.632 20 0 BAADLP NC(=O)C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000563151024 323095584 /nfs/dbraw/zinc/09/55/84/323095584.db2.gz PNDJYIWEVJKXIU-VIFPVBQESA-N 2 2 240.307 -1.632 20 0 BAADLP NC(=O)C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000563151024 323095583 /nfs/dbraw/zinc/09/55/83/323095583.db2.gz PNDJYIWEVJKXIU-VIFPVBQESA-N 2 2 240.307 -1.632 20 0 BAADLP [NH3+][C@H]1C[C@@H](C(=O)N2CC[NH+](CCO)CC2)C1 ZINC000563159247 323097072 /nfs/dbraw/zinc/09/70/72/323097072.db2.gz GTPXAVUFQNOXLA-AOOOYVTPSA-N 2 2 227.308 -1.140 20 0 BAADLP [NH3+]CCC[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000563432100 323125139 /nfs/dbraw/zinc/12/51/39/323125139.db2.gz KCDLHEAIGBWFDF-BDAKNGLRSA-N 3 2 212.297 -1.421 20 0 BAADLP [NH3+]CCC[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000563432101 323125220 /nfs/dbraw/zinc/12/52/20/323125220.db2.gz KCDLHEAIGBWFDF-DTWKUNHWSA-N 3 2 212.297 -1.421 20 0 BAADLP [NH3+]CCC[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000563432102 323125178 /nfs/dbraw/zinc/12/51/78/323125178.db2.gz KCDLHEAIGBWFDF-IUCAKERBSA-N 3 2 212.297 -1.421 20 0 BAADLP [NH3+]CCC[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000563432103 323125206 /nfs/dbraw/zinc/12/52/06/323125206.db2.gz KCDLHEAIGBWFDF-RKDXNWHRSA-N 3 2 212.297 -1.421 20 0 BAADLP CC[C@H](C(N)=O)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000563437532 323125502 /nfs/dbraw/zinc/12/55/02/323125502.db2.gz ADMUTSZJNSBNBT-DJLDLDEBSA-N 2 2 240.307 -1.506 20 0 BAADLP CC[C@H](C(N)=O)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000563437532 323125501 /nfs/dbraw/zinc/12/55/01/323125501.db2.gz ADMUTSZJNSBNBT-DJLDLDEBSA-N 2 2 240.307 -1.506 20 0 BAADLP CC[C@H](C(N)=O)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000563437533 323125529 /nfs/dbraw/zinc/12/55/29/323125529.db2.gz ADMUTSZJNSBNBT-HRDYMLBCSA-N 2 2 240.307 -1.506 20 0 BAADLP CC[C@H](C(N)=O)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000563437533 323125528 /nfs/dbraw/zinc/12/55/28/323125528.db2.gz ADMUTSZJNSBNBT-HRDYMLBCSA-N 2 2 240.307 -1.506 20 0 BAADLP CC[C@H](C(N)=O)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000563437534 323125498 /nfs/dbraw/zinc/12/54/98/323125498.db2.gz ADMUTSZJNSBNBT-IWSPIJDZSA-N 2 2 240.307 -1.506 20 0 BAADLP CC[C@H](C(N)=O)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000563437534 323125497 /nfs/dbraw/zinc/12/54/97/323125497.db2.gz ADMUTSZJNSBNBT-IWSPIJDZSA-N 2 2 240.307 -1.506 20 0 BAADLP CC[C@H](C(N)=O)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000563437535 323125454 /nfs/dbraw/zinc/12/54/54/323125454.db2.gz ADMUTSZJNSBNBT-XHNCKOQMSA-N 2 2 240.307 -1.506 20 0 BAADLP CC[C@H](C(N)=O)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000563437535 323125453 /nfs/dbraw/zinc/12/54/53/323125453.db2.gz ADMUTSZJNSBNBT-XHNCKOQMSA-N 2 2 240.307 -1.506 20 0 BAADLP CN(C)C(=O)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000563441728 323126626 /nfs/dbraw/zinc/12/66/26/323126626.db2.gz MUXGYKCRKAHMRL-BDAKNGLRSA-N 2 2 240.307 -1.682 20 0 BAADLP CN(C)C(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000563441734 323126696 /nfs/dbraw/zinc/12/66/96/323126696.db2.gz MUXGYKCRKAHMRL-DTWKUNHWSA-N 2 2 240.307 -1.682 20 0 BAADLP CN(C)C(=O)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000563441735 323126739 /nfs/dbraw/zinc/12/67/39/323126739.db2.gz MUXGYKCRKAHMRL-IUCAKERBSA-N 2 2 240.307 -1.682 20 0 BAADLP CN(C)C(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000563441736 323126680 /nfs/dbraw/zinc/12/66/80/323126680.db2.gz MUXGYKCRKAHMRL-RKDXNWHRSA-N 2 2 240.307 -1.682 20 0 BAADLP CC(C)(CC[NH3+])NC(=O)CN1CC[NH2+]CC1=O ZINC000563626259 323132312 /nfs/dbraw/zinc/13/23/12/323132312.db2.gz SFIWOTDVLNGPGQ-UHFFFAOYSA-N 2 2 242.323 -1.338 20 0 BAADLP COC(=O)C[C@H]([NH3+])C(=O)NCC(F)(F)C[NH3+] ZINC000563885943 323183252 /nfs/dbraw/zinc/18/32/52/323183252.db2.gz HUMQKJUXBDDFNR-YFKPBYRVSA-N 2 2 239.222 -1.413 20 0 BAADLP CC[N@@H+](CCO)CC[NH2+]CCC(N)=O ZINC000564210370 388722129 /nfs/dbraw/zinc/72/21/29/388722129.db2.gz CJEGLTMNSNTIBU-UHFFFAOYSA-N 2 2 203.286 -1.234 20 0 BAADLP CC[N@H+](CCO)CC[NH2+]CCC(N)=O ZINC000564210370 388722126 /nfs/dbraw/zinc/72/21/26/388722126.db2.gz CJEGLTMNSNTIBU-UHFFFAOYSA-N 2 2 203.286 -1.234 20 0 BAADLP CCNC(=O)CC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000564729674 398039227 /nfs/dbraw/zinc/03/92/27/398039227.db2.gz RSICHTSOUFLCJP-SECBINFHSA-N 2 2 242.323 -1.386 20 0 BAADLP CCNC(=O)CC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000564729681 398039688 /nfs/dbraw/zinc/03/96/88/398039688.db2.gz RSICHTSOUFLCJP-VIFPVBQESA-N 2 2 242.323 -1.386 20 0 BAADLP CC(C)[C@H]([NH3+])CNC(=O)CN1CC[NH2+]CC1=O ZINC000564945186 325831572 /nfs/dbraw/zinc/83/15/72/325831572.db2.gz UOPGRICMSHCCMA-SECBINFHSA-N 2 2 242.323 -1.482 20 0 BAADLP CC(C)[C@@H]([NH3+])CNC(=O)CN1CC[NH2+]CC1=O ZINC000564945187 388899898 /nfs/dbraw/zinc/89/98/98/388899898.db2.gz UOPGRICMSHCCMA-VIFPVBQESA-N 2 2 242.323 -1.482 20 0 BAADLP C[NH2+]C[C@@](C)(O)C[N@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000565093233 388913538 /nfs/dbraw/zinc/91/35/38/388913538.db2.gz KJFDKYYOAZRHAN-FXPVBKGRSA-N 2 2 245.323 -1.469 20 0 BAADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000565093233 388913534 /nfs/dbraw/zinc/91/35/34/388913534.db2.gz KJFDKYYOAZRHAN-FXPVBKGRSA-N 2 2 245.323 -1.469 20 0 BAADLP C[NH2+]C[C@](C)(O)C[N@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000565093242 388913243 /nfs/dbraw/zinc/91/32/43/388913243.db2.gz KJFDKYYOAZRHAN-KKZNHRDASA-N 2 2 245.323 -1.469 20 0 BAADLP C[NH2+]C[C@](C)(O)C[N@@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000565093242 388913240 /nfs/dbraw/zinc/91/32/40/388913240.db2.gz KJFDKYYOAZRHAN-KKZNHRDASA-N 2 2 245.323 -1.469 20 0 BAADLP C[NH2+]C[C@@](C)(O)C[N@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000565093243 388913025 /nfs/dbraw/zinc/91/30/25/388913025.db2.gz KJFDKYYOAZRHAN-WCABBAIRSA-N 2 2 245.323 -1.469 20 0 BAADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000565093243 388913020 /nfs/dbraw/zinc/91/30/20/388913020.db2.gz KJFDKYYOAZRHAN-WCABBAIRSA-N 2 2 245.323 -1.469 20 0 BAADLP C[NH2+]C[C@](C)(O)C[N@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000565093245 388913759 /nfs/dbraw/zinc/91/37/59/388913759.db2.gz KJFDKYYOAZRHAN-YWVKMMECSA-N 2 2 245.323 -1.469 20 0 BAADLP C[NH2+]C[C@](C)(O)C[N@@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000565093245 388913757 /nfs/dbraw/zinc/91/37/57/388913757.db2.gz KJFDKYYOAZRHAN-YWVKMMECSA-N 2 2 245.323 -1.469 20 0 BAADLP C[N@H+]1CCN(C(=O)N[C@H]2CC[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000565253767 388932866 /nfs/dbraw/zinc/93/28/66/388932866.db2.gz LOLDRQRFUGVYEU-UWVGGRQHSA-N 3 2 241.339 -1.367 20 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LVDNLVSFNWDDGU-QMMMGPOBSA-N 2 2 226.280 -2.104 20 0 BAADLP CC(C)(C[NH3+])NC(=O)CN1CC[NH2+]CC1=O ZINC000566009794 388983380 /nfs/dbraw/zinc/98/33/80/388983380.db2.gz MBGNYTQOGJGARE-UHFFFAOYSA-N 2 2 228.296 -1.728 20 0 BAADLP COC(=O)C[C@H]([NH3+])C(=O)N1CC[NH+](C)CC1 ZINC000566199061 490203781 /nfs/dbraw/zinc/20/37/81/490203781.db2.gz NJLFUGNWONCLQI-QMMMGPOBSA-N 2 2 229.280 -1.349 20 0 BAADLP C[C@H]([NH3+])CCNC(=O)CN1CC[NH2+]CC1=O ZINC000566203777 326012615 /nfs/dbraw/zinc/01/26/15/326012615.db2.gz XLHGFMMDUHQZKD-QMMMGPOBSA-N 2 2 228.296 -1.728 20 0 BAADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC(C(=O)NC)C1 ZINC000566417474 384417251 /nfs/dbraw/zinc/41/72/51/384417251.db2.gz YJLIFEPULUUTNV-JTQLQIEISA-N 2 2 229.324 -1.023 20 0 BAADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC(C(=O)NC)C1 ZINC000566417474 384417248 /nfs/dbraw/zinc/41/72/48/384417248.db2.gz YJLIFEPULUUTNV-JTQLQIEISA-N 2 2 229.324 -1.023 20 0 BAADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC(C(=O)NC)C1 ZINC000566417478 384416683 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CCNC(=O)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000566495934 326057935 /nfs/dbraw/zinc/05/79/35/326057935.db2.gz MGAABKMJQFWBMV-IUCAKERBSA-N 2 2 240.307 -1.634 20 0 BAADLP CCNC(=O)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000566495934 326057933 /nfs/dbraw/zinc/05/79/33/326057933.db2.gz MGAABKMJQFWBMV-IUCAKERBSA-N 2 2 240.307 -1.634 20 0 BAADLP CCNC(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000566495935 326057877 /nfs/dbraw/zinc/05/78/77/326057877.db2.gz MGAABKMJQFWBMV-RKDXNWHRSA-N 2 2 240.307 -1.634 20 0 BAADLP CCNC(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000566495935 326057875 /nfs/dbraw/zinc/05/78/75/326057875.db2.gz MGAABKMJQFWBMV-RKDXNWHRSA-N 2 2 240.307 -1.634 20 0 BAADLP C[N@H+]1CCO[C@@H](CNC(=O)COC2C[NH2+]C2)C1 ZINC000567784917 389037042 /nfs/dbraw/zinc/03/70/42/389037042.db2.gz FIOGEQVYMSCZEQ-JTQLQIEISA-N 2 2 243.307 -1.578 20 0 BAADLP C[N@@H+]1CCO[C@@H](CNC(=O)COC2C[NH2+]C2)C1 ZINC000567784917 389037037 /nfs/dbraw/zinc/03/70/37/389037037.db2.gz 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C[NH+](C)[C@H]1CN(CC[NH+]2CCOCC2)C[C@@H]1O ZINC000572421280 387417628 /nfs/dbraw/zinc/41/76/28/387417628.db2.gz ZLNKFHJTMAWQDY-RYUDHWBXSA-N 2 2 243.351 -1.075 20 0 BAADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](O)C[C@H]1CO ZINC000572703575 384265273 /nfs/dbraw/zinc/26/52/73/384265273.db2.gz RCMHMRIHNXECMF-AXFHLTTASA-N 2 2 232.324 -1.274 20 0 BAADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000572703575 384265268 /nfs/dbraw/zinc/26/52/68/384265268.db2.gz RCMHMRIHNXECMF-AXFHLTTASA-N 2 2 232.324 -1.274 20 0 BAADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](O)C[C@H]1CO ZINC000572703575 384265266 /nfs/dbraw/zinc/26/52/66/384265266.db2.gz RCMHMRIHNXECMF-AXFHLTTASA-N 2 2 232.324 -1.274 20 0 BAADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](O)C[C@H]1CO ZINC000572703575 384265261 /nfs/dbraw/zinc/26/52/61/384265261.db2.gz RCMHMRIHNXECMF-AXFHLTTASA-N 2 2 232.324 -1.274 20 0 BAADLP O=C(CN1CC[NH2+]CC1=O)NC1CC[NH2+]CC1 ZINC000572958734 323036102 /nfs/dbraw/zinc/03/61/02/323036102.db2.gz GSJGEBIHWNNSGE-UHFFFAOYSA-N 2 2 240.307 -1.714 20 0 BAADLP C[C@H](C[NH3+])CNC(=O)CN1CC[NH2+]CC1=O ZINC000573119349 326430491 /nfs/dbraw/zinc/43/04/91/326430491.db2.gz PMJMKFLNDWVYMZ-MRVPVSSYSA-N 2 2 228.296 -1.871 20 0 BAADLP C[C@@H](C[NH3+])CNC(=O)CN1CC[NH2+]CC1=O ZINC000573119350 388421175 /nfs/dbraw/zinc/42/11/75/388421175.db2.gz PMJMKFLNDWVYMZ-QMMMGPOBSA-N 2 2 228.296 -1.871 20 0 BAADLP CO[C@@H](C[NH3+])C(=O)N(C)CC[NH+]1CCOCC1 ZINC000573201896 326434759 /nfs/dbraw/zinc/43/47/59/326434759.db2.gz HDSXXLDQWIMWCS-JTQLQIEISA-N 2 2 245.323 -1.249 20 0 BAADLP CO[C@H](C[NH3+])C(=O)N(C)CC[NH+]1CCOCC1 ZINC000573201901 326434818 /nfs/dbraw/zinc/43/48/18/326434818.db2.gz HDSXXLDQWIMWCS-SNVBAGLBSA-N 2 2 245.323 -1.249 20 0 BAADLP C[N@@H+](CC(=O)N1CCNC(=O)C1)C1CC([NH3+])C1 ZINC000573207219 388432392 /nfs/dbraw/zinc/43/23/92/388432392.db2.gz AVCNFAQXCPANON-UHFFFAOYSA-N 2 2 240.307 -1.634 20 0 BAADLP C[N@H+](CC(=O)N1CCNC(=O)C1)C1CC([NH3+])C1 ZINC000573207219 388432391 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ZINC000576399388 365585742 /nfs/dbraw/zinc/58/57/42/365585742.db2.gz LLMFNCYZSPRVSV-UHFFFAOYSA-N 3 2 244.339 -1.939 20 0 BAADLP [NH3+]CC[N@H+](CCO)CCC(=O)N1CC[NH2+]CC1 ZINC000576399388 365585736 /nfs/dbraw/zinc/58/57/36/365585736.db2.gz LLMFNCYZSPRVSV-UHFFFAOYSA-N 3 2 244.339 -1.939 20 0 BAADLP C[NH2+][C@@H]1CCN(C(=O)CN2CC[NH2+]CC2=O)C1 ZINC000576872137 365708101 /nfs/dbraw/zinc/70/81/01/365708101.db2.gz OPKQZMOEACFJME-SECBINFHSA-N 2 2 240.307 -1.762 20 0 BAADLP C[NH2+][C@H]1CCN(C(=O)CN2CC[NH2+]CC2=O)C1 ZINC000576872144 365708621 /nfs/dbraw/zinc/70/86/21/365708621.db2.gz OPKQZMOEACFJME-VIFPVBQESA-N 2 2 240.307 -1.762 20 0 BAADLP CN(CCC[NH+]1CCOCC1)C[C@H](O)C[NH3+] ZINC000577067005 365802077 /nfs/dbraw/zinc/80/20/77/365802077.db2.gz VDUDFLFPFMFAED-LLVKDONJSA-N 2 2 231.340 -1.040 20 0 BAADLP CN(CCC[NH+]1CCOCC1)C[C@@H](O)C[NH3+] ZINC000577067006 365801464 /nfs/dbraw/zinc/80/14/64/365801464.db2.gz VDUDFLFPFMFAED-NSHDSACASA-N 2 2 231.340 -1.040 20 0 BAADLP C[NH2+]CCNC(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000577508246 365974268 /nfs/dbraw/zinc/97/42/68/365974268.db2.gz HBJXKMVBFGWXRD-UHFFFAOYSA-N 2 2 244.339 -1.222 20 0 BAADLP C[NH2+]CCNC(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000577508246 365974264 /nfs/dbraw/zinc/97/42/64/365974264.db2.gz HBJXKMVBFGWXRD-UHFFFAOYSA-N 2 2 244.339 -1.222 20 0 BAADLP O=C(CN1CC[NH2+]CC1=O)NC[C@H]1CCC[NH2+]1 ZINC000577727870 366045436 /nfs/dbraw/zinc/04/54/36/366045436.db2.gz CCCBSAQBPYUDRC-SECBINFHSA-N 2 2 240.307 -1.714 20 0 BAADLP O=C(CN1CC[NH2+]CC1=O)NC[C@@H]1CCC[NH2+]1 ZINC000577727871 366045146 /nfs/dbraw/zinc/04/51/46/366045146.db2.gz CCCBSAQBPYUDRC-VIFPVBQESA-N 2 2 240.307 -1.714 20 0 BAADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NCCC[NH3+] ZINC000578011434 366178154 /nfs/dbraw/zinc/17/81/54/366178154.db2.gz MLRAZBQIBBUYLF-UHFFFAOYSA-N 2 2 244.339 -1.092 20 0 BAADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NCCC[NH3+] ZINC000578011434 366178146 /nfs/dbraw/zinc/17/81/46/366178146.db2.gz MLRAZBQIBBUYLF-UHFFFAOYSA-N 2 2 244.339 -1.092 20 0 BAADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)CCC(N)=O ZINC000578140523 366320003 /nfs/dbraw/zinc/32/00/03/366320003.db2.gz LSOHQHKQKSDBMB-JTQLQIEISA-N 2 2 247.339 -1.267 20 0 BAADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)CCC(N)=O ZINC000578140523 366319995 /nfs/dbraw/zinc/31/99/95/366319995.db2.gz LSOHQHKQKSDBMB-JTQLQIEISA-N 2 2 247.339 -1.267 20 0 BAADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)CCC(N)=O ZINC000578140523 366319987 /nfs/dbraw/zinc/31/99/87/366319987.db2.gz LSOHQHKQKSDBMB-JTQLQIEISA-N 2 2 247.339 -1.267 20 0 BAADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)CCC(N)=O ZINC000578140523 366319979 /nfs/dbraw/zinc/31/99/79/366319979.db2.gz LSOHQHKQKSDBMB-JTQLQIEISA-N 2 2 247.339 -1.267 20 0 BAADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)CCC(N)=O ZINC000578140524 366319597 /nfs/dbraw/zinc/31/95/97/366319597.db2.gz LSOHQHKQKSDBMB-SNVBAGLBSA-N 2 2 247.339 -1.267 20 0 BAADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)CCC(N)=O ZINC000578140524 366319593 /nfs/dbraw/zinc/31/95/93/366319593.db2.gz LSOHQHKQKSDBMB-SNVBAGLBSA-N 2 2 247.339 -1.267 20 0 BAADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)CCC(N)=O ZINC000578140524 366319587 /nfs/dbraw/zinc/31/95/87/366319587.db2.gz LSOHQHKQKSDBMB-SNVBAGLBSA-N 2 2 247.339 -1.267 20 0 BAADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)CCC(N)=O ZINC000578140524 366319578 /nfs/dbraw/zinc/31/95/78/366319578.db2.gz LSOHQHKQKSDBMB-SNVBAGLBSA-N 2 2 247.339 -1.267 20 0 BAADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000578518686 366587881 /nfs/dbraw/zinc/58/78/81/366587881.db2.gz DTRNUUHFVOVICI-GRYCIOLGSA-N 2 2 246.351 -1.026 20 0 BAADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000578518686 366587873 /nfs/dbraw/zinc/58/78/73/366587873.db2.gz DTRNUUHFVOVICI-GRYCIOLGSA-N 2 2 246.351 -1.026 20 0 BAADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](CO)[C@H](O)C1 ZINC000578518686 366587869 /nfs/dbraw/zinc/58/78/69/366587869.db2.gz DTRNUUHFVOVICI-GRYCIOLGSA-N 2 2 246.351 -1.026 20 0 BAADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](CO)[C@H](O)C1 ZINC000578518686 366587864 /nfs/dbraw/zinc/58/78/64/366587864.db2.gz DTRNUUHFVOVICI-GRYCIOLGSA-N 2 2 246.351 -1.026 20 0 BAADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000578518687 366587598 /nfs/dbraw/zinc/58/75/98/366587598.db2.gz DTRNUUHFVOVICI-SDDRHHMPSA-N 2 2 246.351 -1.026 20 0 BAADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000578518687 366587592 /nfs/dbraw/zinc/58/75/92/366587592.db2.gz DTRNUUHFVOVICI-SDDRHHMPSA-N 2 2 246.351 -1.026 20 0 BAADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](CO)[C@H](O)C1 ZINC000578518687 366587583 /nfs/dbraw/zinc/58/75/83/366587583.db2.gz DTRNUUHFVOVICI-SDDRHHMPSA-N 2 2 246.351 -1.026 20 0 BAADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](CO)[C@H](O)C1 ZINC000578518687 366587575 /nfs/dbraw/zinc/58/75/75/366587575.db2.gz DTRNUUHFVOVICI-SDDRHHMPSA-N 2 2 246.351 -1.026 20 0 BAADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000578518688 366585748 /nfs/dbraw/zinc/58/57/48/366585748.db2.gz DTRNUUHFVOVICI-SRVKXCTJSA-N 2 2 246.351 -1.026 20 0 BAADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000578518688 366585745 /nfs/dbraw/zinc/58/57/45/366585745.db2.gz DTRNUUHFVOVICI-SRVKXCTJSA-N 2 2 246.351 -1.026 20 0 BAADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000578518688 366585743 /nfs/dbraw/zinc/58/57/43/366585743.db2.gz DTRNUUHFVOVICI-SRVKXCTJSA-N 2 2 246.351 -1.026 20 0 BAADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000578518688 366585740 /nfs/dbraw/zinc/58/57/40/366585740.db2.gz DTRNUUHFVOVICI-SRVKXCTJSA-N 2 2 246.351 -1.026 20 0 BAADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000578518689 366586342 /nfs/dbraw/zinc/58/63/42/366586342.db2.gz DTRNUUHFVOVICI-WOPDTQHZSA-N 2 2 246.351 -1.026 20 0 BAADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000578518689 366586336 /nfs/dbraw/zinc/58/63/36/366586336.db2.gz DTRNUUHFVOVICI-WOPDTQHZSA-N 2 2 246.351 -1.026 20 0 BAADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](CO)[C@@H](O)C1 ZINC000578518689 366586331 /nfs/dbraw/zinc/58/63/31/366586331.db2.gz DTRNUUHFVOVICI-WOPDTQHZSA-N 2 2 246.351 -1.026 20 0 BAADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](CO)[C@@H](O)C1 ZINC000578518689 366586327 /nfs/dbraw/zinc/58/63/27/366586327.db2.gz DTRNUUHFVOVICI-WOPDTQHZSA-N 2 2 246.351 -1.026 20 0 BAADLP CC[N@@H+](CCO)CC[NH2+]C[C@H](O)COC ZINC000579122023 366716388 /nfs/dbraw/zinc/71/63/88/366716388.db2.gz LRNRHOKESIKAAM-JTQLQIEISA-N 2 2 220.313 -1.103 20 0 BAADLP CC[N@H+](CCO)CC[NH2+]C[C@H](O)COC ZINC000579122023 366716385 /nfs/dbraw/zinc/71/63/85/366716385.db2.gz LRNRHOKESIKAAM-JTQLQIEISA-N 2 2 220.313 -1.103 20 0 BAADLP CNC(=O)CC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000579471122 366819771 /nfs/dbraw/zinc/81/97/71/366819771.db2.gz HYKBREUXNXITAU-MRVPVSSYSA-N 2 2 228.296 -1.776 20 0 BAADLP CNC(=O)CC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000579471122 366819769 /nfs/dbraw/zinc/81/97/69/366819769.db2.gz HYKBREUXNXITAU-MRVPVSSYSA-N 2 2 228.296 -1.776 20 0 BAADLP CNC(=O)CC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000579471123 366819466 /nfs/dbraw/zinc/81/94/66/366819466.db2.gz HYKBREUXNXITAU-QMMMGPOBSA-N 2 2 228.296 -1.776 20 0 BAADLP CNC(=O)CC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000579471123 366819462 /nfs/dbraw/zinc/81/94/62/366819462.db2.gz HYKBREUXNXITAU-QMMMGPOBSA-N 2 2 228.296 -1.776 20 0 BAADLP C[C@@H]([NH3+])[C@@H](C)NC(=O)CN1CC[NH2+]CC1=O ZINC000579831610 367036731 /nfs/dbraw/zinc/03/67/31/367036731.db2.gz CCVOKTXDFXTRJY-HTQZYQBOSA-N 2 2 228.296 -1.730 20 0 BAADLP C[C@@H](NC(=O)CN1CC[NH2+]CC1=O)[C@H](C)[NH3+] ZINC000579831611 367036808 /nfs/dbraw/zinc/03/68/08/367036808.db2.gz CCVOKTXDFXTRJY-JGVFFNPUSA-N 2 2 228.296 -1.730 20 0 BAADLP C[C@@H]([NH3+])[C@H](C)NC(=O)CN1CC[NH2+]CC1=O ZINC000579831612 367036260 /nfs/dbraw/zinc/03/62/60/367036260.db2.gz CCVOKTXDFXTRJY-SFYZADRCSA-N 2 2 228.296 -1.730 20 0 BAADLP C[C@H]([NH3+])[C@H](C)NC(=O)CN1CC[NH2+]CC1=O ZINC000579831613 367036869 /nfs/dbraw/zinc/03/68/69/367036869.db2.gz CCVOKTXDFXTRJY-YUMQZZPRSA-N 2 2 228.296 -1.730 20 0 BAADLP [NH3+]C1(CNC(=O)CN2CC[NH2+]CC2=O)CCC1 ZINC000580428136 359538120 /nfs/dbraw/zinc/53/81/20/359538120.db2.gz AQFSGUJCWRHBAL-UHFFFAOYSA-N 2 2 240.307 -1.584 20 0 BAADLP COC(=O)[C@H]1C[N@@H+](CCOCC[NH3+])CCO1 ZINC000581311125 367339906 /nfs/dbraw/zinc/33/99/06/367339906.db2.gz DPMQUDLCXHFIBB-SECBINFHSA-N 2 2 232.280 -1.165 20 0 BAADLP COC(=O)[C@H]1C[N@H+](CCOCC[NH3+])CCO1 ZINC000581311125 367339902 /nfs/dbraw/zinc/33/99/02/367339902.db2.gz DPMQUDLCXHFIBB-SECBINFHSA-N 2 2 232.280 -1.165 20 0 BAADLP COC(=O)[C@@H]1C[N@@H+](CCOCC[NH3+])CCO1 ZINC000581311126 367339264 /nfs/dbraw/zinc/33/92/64/367339264.db2.gz DPMQUDLCXHFIBB-VIFPVBQESA-N 2 2 232.280 -1.165 20 0 BAADLP COC(=O)[C@@H]1C[N@H+](CCOCC[NH3+])CCO1 ZINC000581311126 367339259 /nfs/dbraw/zinc/33/92/59/367339259.db2.gz DPMQUDLCXHFIBB-VIFPVBQESA-N 2 2 232.280 -1.165 20 0 BAADLP C[NH2+]CCC[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000581381250 367412261 /nfs/dbraw/zinc/41/22/61/367412261.db2.gz VPYWDYLVEIFEHQ-NXEZZACHSA-N 3 2 226.324 -1.160 20 0 BAADLP C[NH2+]CCC[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000581381251 367412411 /nfs/dbraw/zinc/41/24/11/367412411.db2.gz VPYWDYLVEIFEHQ-UWVGGRQHSA-N 3 2 226.324 -1.160 20 0 BAADLP C[NH2+]CCC[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000581381252 367412188 /nfs/dbraw/zinc/41/21/88/367412188.db2.gz VPYWDYLVEIFEHQ-VHSXEESVSA-N 3 2 226.324 -1.160 20 0 BAADLP C[NH2+]CCC[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000581381253 367412360 /nfs/dbraw/zinc/41/23/60/367412360.db2.gz VPYWDYLVEIFEHQ-ZJUUUORDSA-N 3 2 226.324 -1.160 20 0 BAADLP C[C@H](CC[NH3+])NC(=O)CN1CC[NH2+]CC1=O ZINC000581606751 367630484 /nfs/dbraw/zinc/63/04/84/367630484.db2.gz FZHUKUDXUSOKFU-MRVPVSSYSA-N 2 2 228.296 -1.728 20 0 BAADLP C[C@@H](CC[NH3+])NC(=O)CN1CC[NH2+]CC1=O ZINC000581606752 367630603 /nfs/dbraw/zinc/63/06/03/367630603.db2.gz FZHUKUDXUSOKFU-QMMMGPOBSA-N 2 2 228.296 -1.728 20 0 BAADLP CC[NH2+][C@H](C)CNC(=O)CN1CC[NH2+]CC1=O ZINC000581666141 367665520 /nfs/dbraw/zinc/66/55/20/367665520.db2.gz BPZFIWLFCCEMCR-SECBINFHSA-N 2 2 242.323 -1.468 20 0 BAADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@H](C)C[NH3+] ZINC000581883510 367873429 /nfs/dbraw/zinc/87/34/29/367873429.db2.gz JZXMKVKQVRENJE-SECBINFHSA-N 2 2 244.339 -1.094 20 0 BAADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@H](C)C[NH3+] ZINC000581883510 367873425 /nfs/dbraw/zinc/87/34/25/367873425.db2.gz JZXMKVKQVRENJE-SECBINFHSA-N 2 2 244.339 -1.094 20 0 BAADLP CNC(=O)N[C@H]1CC[N@@H+](C[C@](C)(O)C[NH2+]C)C1 ZINC000581948704 367975600 /nfs/dbraw/zinc/97/56/00/367975600.db2.gz YMCMVGYWUHTVCD-GXSJLCMTSA-N 2 2 244.339 -1.040 20 0 BAADLP CNC(=O)N[C@H]1CC[N@H+](C[C@](C)(O)C[NH2+]C)C1 ZINC000581948704 367975596 /nfs/dbraw/zinc/97/55/96/367975596.db2.gz YMCMVGYWUHTVCD-GXSJLCMTSA-N 2 2 244.339 -1.040 20 0 BAADLP CNC(=O)N[C@@H]1CC[N@@H+](C[C@@](C)(O)C[NH2+]C)C1 ZINC000581948705 367975853 /nfs/dbraw/zinc/97/58/53/367975853.db2.gz YMCMVGYWUHTVCD-KOLCDFICSA-N 2 2 244.339 -1.040 20 0 BAADLP CNC(=O)N[C@@H]1CC[N@H+](C[C@@](C)(O)C[NH2+]C)C1 ZINC000581948705 367975847 /nfs/dbraw/zinc/97/58/47/367975847.db2.gz YMCMVGYWUHTVCD-KOLCDFICSA-N 2 2 244.339 -1.040 20 0 BAADLP CNC(=O)N[C@@H]1CC[N@@H+](C[C@](C)(O)C[NH2+]C)C1 ZINC000581948706 367976231 /nfs/dbraw/zinc/97/62/31/367976231.db2.gz YMCMVGYWUHTVCD-MWLCHTKSSA-N 2 2 244.339 -1.040 20 0 BAADLP CNC(=O)N[C@@H]1CC[N@H+](C[C@](C)(O)C[NH2+]C)C1 ZINC000581948706 367976224 /nfs/dbraw/zinc/97/62/24/367976224.db2.gz YMCMVGYWUHTVCD-MWLCHTKSSA-N 2 2 244.339 -1.040 20 0 BAADLP CNC(=O)N[C@H]1CC[N@@H+](C[C@@](C)(O)C[NH2+]C)C1 ZINC000581948707 367975214 /nfs/dbraw/zinc/97/52/14/367975214.db2.gz YMCMVGYWUHTVCD-ONGXEEELSA-N 2 2 244.339 -1.040 20 0 BAADLP CNC(=O)N[C@H]1CC[N@H+](C[C@@](C)(O)C[NH2+]C)C1 ZINC000581948707 367975209 /nfs/dbraw/zinc/97/52/09/367975209.db2.gz YMCMVGYWUHTVCD-ONGXEEELSA-N 2 2 244.339 -1.040 20 0 BAADLP C[NH2+]C[C@](C)(O)C[N@@H+](C)CC(=O)N(C)C ZINC000582186417 355660857 /nfs/dbraw/zinc/66/08/57/355660857.db2.gz ZRBXMOUXOPSWQK-JTQLQIEISA-N 2 2 217.313 -1.023 20 0 BAADLP C[NH2+]C[C@](C)(O)C[N@H+](C)CC(=O)N(C)C ZINC000582186417 355660853 /nfs/dbraw/zinc/66/08/53/355660853.db2.gz ZRBXMOUXOPSWQK-JTQLQIEISA-N 2 2 217.313 -1.023 20 0 BAADLP C[NH2+]C[C@@](C)(O)C[N@@H+](C)CC(=O)N(C)C ZINC000582186418 355660946 /nfs/dbraw/zinc/66/09/46/355660946.db2.gz ZRBXMOUXOPSWQK-SNVBAGLBSA-N 2 2 217.313 -1.023 20 0 BAADLP C[NH2+]C[C@@](C)(O)C[N@H+](C)CC(=O)N(C)C ZINC000582186418 355660945 /nfs/dbraw/zinc/66/09/45/355660945.db2.gz ZRBXMOUXOPSWQK-SNVBAGLBSA-N 2 2 217.313 -1.023 20 0 BAADLP C[C@H](CCC[NH3+])NC(=O)CN1CC[NH2+]CC1=O ZINC000582240769 356670764 /nfs/dbraw/zinc/67/07/64/356670764.db2.gz KYLZQCGLTBBLFU-SECBINFHSA-N 2 2 242.323 -1.338 20 0 BAADLP C[C@@H](CCC[NH3+])NC(=O)CN1CC[NH2+]CC1=O ZINC000582240770 356671207 /nfs/dbraw/zinc/67/12/07/356671207.db2.gz KYLZQCGLTBBLFU-VIFPVBQESA-N 2 2 242.323 -1.338 20 0 BAADLP COC(=O)CN(CC[NH3+])CC[NH+]1CCOCC1 ZINC000582360747 357105144 /nfs/dbraw/zinc/10/51/44/357105144.db2.gz FZZXWDFUPFMYSN-UHFFFAOYSA-N 2 2 245.323 -1.248 20 0 BAADLP C[C@@H](O)[C@@H](CO)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000583631139 355941910 /nfs/dbraw/zinc/94/19/10/355941910.db2.gz KTNWSLSNGJDCRZ-DVVUODLYSA-N 2 2 232.324 -1.227 20 0 BAADLP C[C@@H](O)[C@@H](CO)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000583631139 355941907 /nfs/dbraw/zinc/94/19/07/355941907.db2.gz KTNWSLSNGJDCRZ-DVVUODLYSA-N 2 2 232.324 -1.227 20 0 BAADLP C[C@@H](O)[C@@H](CO)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000583631140 355941523 /nfs/dbraw/zinc/94/15/23/355941523.db2.gz KTNWSLSNGJDCRZ-FBIMIBRVSA-N 2 2 232.324 -1.227 20 0 BAADLP C[C@@H](O)[C@@H](CO)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000583631140 355941521 /nfs/dbraw/zinc/94/15/21/355941521.db2.gz KTNWSLSNGJDCRZ-FBIMIBRVSA-N 2 2 232.324 -1.227 20 0 BAADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N(C)CC[NH3+] ZINC000583811548 357956662 /nfs/dbraw/zinc/95/66/62/357956662.db2.gz IWTRGQCMFMLFPG-UHFFFAOYSA-N 2 2 244.339 -1.140 20 0 BAADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N(C)CC[NH3+] ZINC000583811548 357956659 /nfs/dbraw/zinc/95/66/59/357956659.db2.gz IWTRGQCMFMLFPG-UHFFFAOYSA-N 2 2 244.339 -1.140 20 0 BAADLP CO[C@H](C[NH3+])C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000583874544 358085425 /nfs/dbraw/zinc/08/54/25/358085425.db2.gz XOYIICWWUDDEMX-NXEZZACHSA-N 2 2 245.323 -1.203 20 0 BAADLP CO[C@H](C[NH3+])C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000583874544 358085420 /nfs/dbraw/zinc/08/54/20/358085420.db2.gz XOYIICWWUDDEMX-NXEZZACHSA-N 2 2 245.323 -1.203 20 0 BAADLP CO[C@@H](C[NH3+])C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000583874545 358085472 /nfs/dbraw/zinc/08/54/72/358085472.db2.gz XOYIICWWUDDEMX-UWVGGRQHSA-N 2 2 245.323 -1.203 20 0 BAADLP CO[C@@H](C[NH3+])C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000583874545 358085468 /nfs/dbraw/zinc/08/54/68/358085468.db2.gz XOYIICWWUDDEMX-UWVGGRQHSA-N 2 2 245.323 -1.203 20 0 BAADLP CO[C@H](C[NH3+])C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000583874546 358085813 /nfs/dbraw/zinc/08/58/13/358085813.db2.gz XOYIICWWUDDEMX-VHSXEESVSA-N 2 2 245.323 -1.203 20 0 BAADLP CO[C@H](C[NH3+])C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000583874546 358085810 /nfs/dbraw/zinc/08/58/10/358085810.db2.gz XOYIICWWUDDEMX-VHSXEESVSA-N 2 2 245.323 -1.203 20 0 BAADLP CO[C@@H](C[NH3+])C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000583874547 358085635 /nfs/dbraw/zinc/08/56/35/358085635.db2.gz XOYIICWWUDDEMX-ZJUUUORDSA-N 2 2 245.323 -1.203 20 0 BAADLP CO[C@@H](C[NH3+])C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000583874547 358085631 /nfs/dbraw/zinc/08/56/31/358085631.db2.gz XOYIICWWUDDEMX-ZJUUUORDSA-N 2 2 245.323 -1.203 20 0 BAADLP COC(=O)CCNC(=O)C[N@@H+](C)CCC[NH3+] ZINC000592474231 347790475 /nfs/dbraw/zinc/79/04/75/347790475.db2.gz FHKIGSCROJZAIY-UHFFFAOYSA-N 2 2 231.296 -1.054 20 0 BAADLP COC(=O)CCNC(=O)C[N@H+](C)CCC[NH3+] ZINC000592474231 347790473 /nfs/dbraw/zinc/79/04/73/347790473.db2.gz FHKIGSCROJZAIY-UHFFFAOYSA-N 2 2 231.296 -1.054 20 0 BAADLP CC(C)OC(=O)CC[N@@H+](CC[NH3+])C[C@H](O)CO ZINC000595902273 348394740 /nfs/dbraw/zinc/39/47/40/348394740.db2.gz QLRKHSMVUDGKPU-JTQLQIEISA-N 2 2 248.323 -1.058 20 0 BAADLP CC(C)OC(=O)CC[N@H+](CC[NH3+])C[C@H](O)CO ZINC000595902273 348394739 /nfs/dbraw/zinc/39/47/39/348394739.db2.gz QLRKHSMVUDGKPU-JTQLQIEISA-N 2 2 248.323 -1.058 20 0 BAADLP CC(C)OC(=O)CC[N@@H+](CC[NH3+])C[C@@H](O)CO ZINC000595902274 348394753 /nfs/dbraw/zinc/39/47/53/348394753.db2.gz QLRKHSMVUDGKPU-SNVBAGLBSA-N 2 2 248.323 -1.058 20 0 BAADLP CC(C)OC(=O)CC[N@H+](CC[NH3+])C[C@@H](O)CO ZINC000595902274 348394750 /nfs/dbraw/zinc/39/47/50/348394750.db2.gz QLRKHSMVUDGKPU-SNVBAGLBSA-N 2 2 248.323 -1.058 20 0 BAADLP CCOC(=O)CC[N@@H+](CC[NH3+])C[C@@H](O)CO ZINC000595902805 348395197 /nfs/dbraw/zinc/39/51/97/348395197.db2.gz RMAMDQXYODGUMD-SECBINFHSA-N 2 2 234.296 -1.447 20 0 BAADLP CCOC(=O)CC[N@H+](CC[NH3+])C[C@@H](O)CO ZINC000595902805 348395195 /nfs/dbraw/zinc/39/51/95/348395195.db2.gz RMAMDQXYODGUMD-SECBINFHSA-N 2 2 234.296 -1.447 20 0 BAADLP CCOC(=O)CC[N@@H+](CC[NH3+])C[C@H](O)CO ZINC000595902806 348395565 /nfs/dbraw/zinc/39/55/65/348395565.db2.gz RMAMDQXYODGUMD-VIFPVBQESA-N 2 2 234.296 -1.447 20 0 BAADLP CCOC(=O)CC[N@H+](CC[NH3+])C[C@H](O)CO ZINC000595902806 348395563 /nfs/dbraw/zinc/39/55/63/348395563.db2.gz RMAMDQXYODGUMD-VIFPVBQESA-N 2 2 234.296 -1.447 20 0 BAADLP COC(=O)CCC[N@@H+](CC[NH3+])C[C@@H](O)CO ZINC000595902885 348395281 /nfs/dbraw/zinc/39/52/81/348395281.db2.gz WMDDFXNCMUCSOE-SECBINFHSA-N 2 2 234.296 -1.447 20 0 BAADLP COC(=O)CCC[N@H+](CC[NH3+])C[C@@H](O)CO ZINC000595902885 348395276 /nfs/dbraw/zinc/39/52/76/348395276.db2.gz WMDDFXNCMUCSOE-SECBINFHSA-N 2 2 234.296 -1.447 20 0 BAADLP COC(=O)CCC[N@@H+](CC[NH3+])C[C@H](O)CO ZINC000595902887 348395292 /nfs/dbraw/zinc/39/52/92/348395292.db2.gz WMDDFXNCMUCSOE-VIFPVBQESA-N 2 2 234.296 -1.447 20 0 BAADLP COC(=O)CCC[N@H+](CC[NH3+])C[C@H](O)CO ZINC000595902887 348395289 /nfs/dbraw/zinc/39/52/89/348395289.db2.gz WMDDFXNCMUCSOE-VIFPVBQESA-N 2 2 234.296 -1.447 20 0 BAADLP NC(=O)NC(=O)CC[N@H+]1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000595905620 348396639 /nfs/dbraw/zinc/39/66/39/348396639.db2.gz FCXGXZICYCVMTJ-RNFRBKRXSA-N 2 2 232.259 -1.058 20 0 BAADLP NC(=O)NC(=O)CC[N@H+]1CC2CC1(C[NH3+])C2 ZINC000595909269 348397911 /nfs/dbraw/zinc/39/79/11/348397911.db2.gz LBIFOSFYRVFTJN-UHFFFAOYSA-N 2 2 226.280 -1.006 20 0 BAADLP NC(=O)NC(=O)CC[N@@H+]1CC2CC1(C[NH3+])C2 ZINC000595909269 348397909 /nfs/dbraw/zinc/39/79/09/348397909.db2.gz LBIFOSFYRVFTJN-UHFFFAOYSA-N 2 2 226.280 -1.006 20 0 BAADLP COC(=O)[C@@H](O)C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000600745485 344367867 /nfs/dbraw/zinc/36/78/67/344367867.db2.gz REHKRHGHMRINBF-UWVGGRQHSA-N 2 2 246.307 -1.433 20 0 BAADLP COC(=O)[C@@H](O)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000600745487 344367850 /nfs/dbraw/zinc/36/78/50/344367850.db2.gz REHKRHGHMRINBF-ZJUUUORDSA-N 2 2 246.307 -1.433 20 0 BAADLP NC(=O)NC(=O)C[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000601328307 347217138 /nfs/dbraw/zinc/21/71/38/347217138.db2.gz KSWWCPXKTHZLDN-XCBNKYQSSA-N 2 2 226.280 -1.087 20 0 BAADLP COC(=O)CNC(=O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000603833283 350042155 /nfs/dbraw/zinc/04/21/55/350042155.db2.gz FEAPBWBLNCWNCQ-DTORHVGOSA-N 2 2 241.291 -1.573 20 0 BAADLP COC(=O)CNC(=O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000603833283 350042154 /nfs/dbraw/zinc/04/21/54/350042154.db2.gz FEAPBWBLNCWNCQ-DTORHVGOSA-N 2 2 241.291 -1.573 20 0 BAADLP COC(=O)CNC(=O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000603833289 350042332 /nfs/dbraw/zinc/04/23/32/350042332.db2.gz FEAPBWBLNCWNCQ-IUCAKERBSA-N 2 2 241.291 -1.573 20 0 BAADLP COC(=O)CNC(=O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000603833291 350042442 /nfs/dbraw/zinc/04/24/42/350042442.db2.gz FEAPBWBLNCWNCQ-RKDXNWHRSA-N 2 2 241.291 -1.573 20 0 BAADLP C[NH+](C)C[C@H](CO)NC(=O)Cn1cc[nH+]c1 ZINC000614849010 363999208 /nfs/dbraw/zinc/99/92/08/363999208.db2.gz VFQHUQIGYFZUOR-SECBINFHSA-N 2 2 226.280 -1.078 20 0 BAADLP C[NH+](C)C[C@@H](CO)NC(=O)Cn1cc[nH+]c1 ZINC000614849011 363999036 /nfs/dbraw/zinc/99/90/36/363999036.db2.gz VFQHUQIGYFZUOR-VIFPVBQESA-N 2 2 226.280 -1.078 20 0 BAADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CO ZINC000617765654 356327879 /nfs/dbraw/zinc/32/78/79/356327879.db2.gz KZRQCVPMIPSNNA-UHFFFAOYSA-N 2 2 217.313 -1.022 20 0 BAADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CO ZINC000617765654 356327877 /nfs/dbraw/zinc/32/78/77/356327877.db2.gz KZRQCVPMIPSNNA-UHFFFAOYSA-N 2 2 217.313 -1.022 20 0 BAADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CC(N)=O ZINC000617766511 356328821 /nfs/dbraw/zinc/32/88/21/356328821.db2.gz NHCMPQRSEAQAQE-UHFFFAOYSA-N 2 2 244.339 -1.139 20 0 BAADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CC(N)=O ZINC000617766511 356328819 /nfs/dbraw/zinc/32/88/19/356328819.db2.gz NHCMPQRSEAQAQE-UHFFFAOYSA-N 2 2 244.339 -1.139 20 0 BAADLP CNS(=O)(=O)CC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000621248909 398099056 /nfs/dbraw/zinc/09/90/56/398099056.db2.gz BZRMJTOIYXVHQH-DTORHVGOSA-N 2 2 233.337 -1.313 20 0 BAADLP CNS(=O)(=O)CC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000621248909 398099055 /nfs/dbraw/zinc/09/90/55/398099055.db2.gz BZRMJTOIYXVHQH-DTORHVGOSA-N 2 2 233.337 -1.313 20 0 BAADLP CNS(=O)(=O)CC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000621248910 398099250 /nfs/dbraw/zinc/09/92/50/398099250.db2.gz BZRMJTOIYXVHQH-IUCAKERBSA-N 2 2 233.337 -1.313 20 0 BAADLP CNS(=O)(=O)CC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000621248911 398098936 /nfs/dbraw/zinc/09/89/36/398098936.db2.gz BZRMJTOIYXVHQH-RKDXNWHRSA-N 2 2 233.337 -1.313 20 0 BAADLP Nc1nc(NCC[NH+]2CCOCC2)nc(N)[nH+]1 ZINC000623790816 363014433 /nfs/dbraw/zinc/01/44/33/363014433.db2.gz QTKUSLFWUISCMD-UHFFFAOYSA-N 2 2 239.283 -2.137 20 0 BAADLP Nc1nc(N2CC[NH+](CCO)CC2)nc(N)[nH+]1 ZINC000623791325 371095954 /nfs/dbraw/zinc/09/59/54/371095954.db2.gz HIHPVOJAVAGWJR-UHFFFAOYSA-N 2 2 239.283 -2.189 20 0 BAADLP Nc1nc(NCCn2cc[nH+]c2)nc(N)[nH+]1 ZINC000623800867 371099514 /nfs/dbraw/zinc/09/95/14/371099514.db2.gz BPGJWQDGEFGYDK-UHFFFAOYSA-N 2 2 220.240 -1.573 20 0 BAADLP C[C@@H](Cn1cc[nH+]c1)Nc1nc(N)[nH+]c(N)n1 ZINC000623851852 371128170 /nfs/dbraw/zinc/12/81/70/371128170.db2.gz JQWWOABOAOKHNY-LURJTMIESA-N 2 2 234.267 -1.184 20 0 BAADLP C[C@H](Cn1cc[nH+]c1)Nc1nc(N)[nH+]c(N)n1 ZINC000623851853 371127919 /nfs/dbraw/zinc/12/79/19/371127919.db2.gz JQWWOABOAOKHNY-ZCFIWIBFSA-N 2 2 234.267 -1.184 20 0 BAADLP Nc1nc(N2CC[NH+](C3CC3)CC2)nc(N)[nH+]1 ZINC000623900907 371146605 /nfs/dbraw/zinc/14/66/05/371146605.db2.gz VGQHLJSUCFQQLK-UHFFFAOYSA-N 2 2 235.295 -1.019 20 0 BAADLP Nc1nc(NCC[NH+]2CCC2)nc(N)[nH+]1 ZINC000624058333 371283309 /nfs/dbraw/zinc/28/33/09/371283309.db2.gz RLUNUAKXNKHZNK-UHFFFAOYSA-N 2 2 209.257 -1.764 20 0 BAADLP Cn1c[nH+]cc1CCNc1nc(N)nc(N)[nH+]1 ZINC000624096373 344522079 /nfs/dbraw/zinc/52/20/79/344522079.db2.gz ZLSAGXCJHVILAL-UHFFFAOYSA-N 2 2 234.267 -1.493 20 0 BAADLP Cn1c[nH+]cc1CCNc1nc(N)[nH+]c(N)n1 ZINC000624096373 344522074 /nfs/dbraw/zinc/52/20/74/344522074.db2.gz ZLSAGXCJHVILAL-UHFFFAOYSA-N 2 2 234.267 -1.493 20 0 BAADLP C[N@H+]1CC[C@@](O)(CNc2nc(N)nc(N)[nH+]2)C1 ZINC000624103785 371309834 /nfs/dbraw/zinc/30/98/34/371309834.db2.gz NQXXQEDFVIMXRP-SECBINFHSA-N 2 2 239.283 -2.403 20 0 BAADLP C[N@@H+]1CC[C@@](O)(CNc2nc(N)nc(N)[nH+]2)C1 ZINC000624103785 371309830 /nfs/dbraw/zinc/30/98/30/371309830.db2.gz NQXXQEDFVIMXRP-SECBINFHSA-N 2 2 239.283 -2.403 20 0 BAADLP C[N@H+]1CC[C@](O)(CNc2nc(N)nc(N)[nH+]2)C1 ZINC000624103786 371309128 /nfs/dbraw/zinc/30/91/28/371309128.db2.gz NQXXQEDFVIMXRP-VIFPVBQESA-N 2 2 239.283 -2.403 20 0 BAADLP C[N@@H+]1CC[C@](O)(CNc2nc(N)nc(N)[nH+]2)C1 ZINC000624103786 371309121 /nfs/dbraw/zinc/30/91/21/371309121.db2.gz NQXXQEDFVIMXRP-VIFPVBQESA-N 2 2 239.283 -2.403 20 0 BAADLP Nc1nc(N)[nH+]c(N[C@H]2CCn3cc[nH+]c3C2)n1 ZINC000624119474 371320087 /nfs/dbraw/zinc/32/00/87/371320087.db2.gz CFDXPVOWJZMXSQ-LURJTMIESA-N 2 2 246.278 -1.258 20 0 BAADLP Nc1nc(N[C@H]2CCn3cc[nH+]c3C2)nc(N)[nH+]1 ZINC000624119474 371320085 /nfs/dbraw/zinc/32/00/85/371320085.db2.gz CFDXPVOWJZMXSQ-LURJTMIESA-N 2 2 246.278 -1.258 20 0 BAADLP Nc1nc(N)[nH+]c(N[C@@H]2CCn3cc[nH+]c3C2)n1 ZINC000624119475 371319855 /nfs/dbraw/zinc/31/98/55/371319855.db2.gz 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/nfs/dbraw/zinc/39/70/28/371397028.db2.gz IUJXFUIQHOYPPC-ZCFIWIBFSA-N 2 2 246.278 -1.258 20 0 BAADLP Nc1nc(N[C@@H]2CCc3c[nH+]cn3C2)nc(N)[nH+]1 ZINC000624210324 371397024 /nfs/dbraw/zinc/39/70/24/371397024.db2.gz IUJXFUIQHOYPPC-ZCFIWIBFSA-N 2 2 246.278 -1.258 20 0 BAADLP CN(CC1C[NH+](C)C1)c1nc(N)nc(N)[nH+]1 ZINC000624395643 343752377 /nfs/dbraw/zinc/75/23/77/343752377.db2.gz HXNMTSOPUXCCHW-UHFFFAOYSA-N 2 2 223.284 -1.305 20 0 BAADLP CN(CC1C[NH+](C)C1)c1nc(N)[nH+]c(N)n1 ZINC000624395643 343752375 /nfs/dbraw/zinc/75/23/75/343752375.db2.gz HXNMTSOPUXCCHW-UHFFFAOYSA-N 2 2 223.284 -1.305 20 0 BAADLP C[N@H+]1CCOC[C@@H]1CNc1nc(N)[nH+]c(N)n1 ZINC000624622207 344109662 /nfs/dbraw/zinc/10/96/62/344109662.db2.gz UBGIKWPHRWVPCS-LURJTMIESA-N 2 2 239.283 -2.139 20 0 BAADLP C[N@@H+]1CCOC[C@@H]1CNc1nc(N)[nH+]c(N)n1 ZINC000624622207 344109658 /nfs/dbraw/zinc/10/96/58/344109658.db2.gz UBGIKWPHRWVPCS-LURJTMIESA-N 2 2 239.283 -2.139 20 0 BAADLP C[N@H+]1CCOC[C@H]1CNc1nc(N)[nH+]c(N)n1 ZINC000624622208 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363435733 /nfs/dbraw/zinc/43/57/33/363435733.db2.gz QYWPSRHWSBQXQX-SNVBAGLBSA-N 2 2 242.323 -1.068 20 0 BAADLP C[N@@H+]1CCOC[C@H]1CNC(=O)N1CC[NH2+]CC1 ZINC000627184038 363435727 /nfs/dbraw/zinc/43/57/27/363435727.db2.gz QYWPSRHWSBQXQX-SNVBAGLBSA-N 2 2 242.323 -1.068 20 0 BAADLP C[N@H+]1CCN(C(=O)N[C@@H]2CC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000627252125 363876341 /nfs/dbraw/zinc/87/63/41/363876341.db2.gz LOLDRQRFUGVYEU-NXEZZACHSA-N 3 2 241.339 -1.367 20 0 BAADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000627252125 363876335 /nfs/dbraw/zinc/87/63/35/363876335.db2.gz LOLDRQRFUGVYEU-NXEZZACHSA-N 3 2 241.339 -1.367 20 0 BAADLP C[N@H+]1CCN(C(=O)N[C@@H]2CC[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000627252126 363876389 /nfs/dbraw/zinc/87/63/89/363876389.db2.gz LOLDRQRFUGVYEU-ZJUUUORDSA-N 3 2 241.339 -1.367 20 0 BAADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CC[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000627252126 363876382 /nfs/dbraw/zinc/87/63/82/363876382.db2.gz LOLDRQRFUGVYEU-ZJUUUORDSA-N 3 2 241.339 -1.367 20 0 BAADLP C[NH+](C)CC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628922664 360755814 /nfs/dbraw/zinc/75/58/14/360755814.db2.gz QBRBEJDFVGXHMM-SECBINFHSA-N 2 2 215.297 -1.005 20 0 BAADLP C[NH+](C)CC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628922664 360755809 /nfs/dbraw/zinc/75/58/09/360755809.db2.gz QBRBEJDFVGXHMM-SECBINFHSA-N 2 2 215.297 -1.005 20 0 BAADLP C[NH+](C)CC(=O)NC[C@H]1COCC[N@H+]1C ZINC000628922666 360755486 /nfs/dbraw/zinc/75/54/86/360755486.db2.gz QBRBEJDFVGXHMM-VIFPVBQESA-N 2 2 215.297 -1.005 20 0 BAADLP C[NH+](C)CC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628922666 360755482 /nfs/dbraw/zinc/75/54/82/360755482.db2.gz QBRBEJDFVGXHMM-VIFPVBQESA-N 2 2 215.297 -1.005 20 0 BAADLP C[N@@H+](CCOCC[NH3+])C[C@@H]1C[NH2+]CCO1 ZINC000629581410 361470946 /nfs/dbraw/zinc/47/09/46/361470946.db2.gz ZUEXYJLABBZONX-JTQLQIEISA-N 3 2 217.313 -1.118 20 0 BAADLP C[N@H+](CCOCC[NH3+])C[C@@H]1C[NH2+]CCO1 ZINC000629581410 361470940 /nfs/dbraw/zinc/47/09/40/361470940.db2.gz ZUEXYJLABBZONX-JTQLQIEISA-N 3 2 217.313 -1.118 20 0 BAADLP C[N@@H+](CCOCC[NH3+])C[C@H]1C[NH2+]CCO1 ZINC000629581411 361471209 /nfs/dbraw/zinc/47/12/09/361471209.db2.gz ZUEXYJLABBZONX-SNVBAGLBSA-N 3 2 217.313 -1.118 20 0 BAADLP C[N@H+](CCOCC[NH3+])C[C@H]1C[NH2+]CCO1 ZINC000629581411 361471205 /nfs/dbraw/zinc/47/12/05/361471205.db2.gz ZUEXYJLABBZONX-SNVBAGLBSA-N 3 2 217.313 -1.118 20 0 BAADLP C[NH2+]CC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000629607059 361497672 /nfs/dbraw/zinc/49/76/72/361497672.db2.gz KBTKWTHZAUXFIA-JTQLQIEISA-N 2 2 245.323 -1.643 20 0 BAADLP C[NH2+]CC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000629607060 361498156 /nfs/dbraw/zinc/49/81/56/361498156.db2.gz KBTKWTHZAUXFIA-SNVBAGLBSA-N 2 2 245.323 -1.643 20 0 BAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CC[NH3+] ZINC000629608369 361496300 /nfs/dbraw/zinc/49/63/00/361496300.db2.gz WIZDGLPGXUXERA-JTQLQIEISA-N 2 2 245.323 -1.513 20 0 BAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CC[NH3+] ZINC000629608403 361495807 /nfs/dbraw/zinc/49/58/07/361495807.db2.gz WIZDGLPGXUXERA-SNVBAGLBSA-N 2 2 245.323 -1.513 20 0 BAADLP C[C@@H]([NH3+])C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000629608543 361495864 /nfs/dbraw/zinc/49/58/64/361495864.db2.gz YJRMMLZACBDYPG-NXEZZACHSA-N 2 2 245.323 -1.515 20 0 BAADLP C[C@H]([NH3+])C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000629608544 361495822 /nfs/dbraw/zinc/49/58/22/361495822.db2.gz YJRMMLZACBDYPG-UWVGGRQHSA-N 2 2 245.323 -1.515 20 0 BAADLP C[C@H]([NH3+])C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000629608545 361495568 /nfs/dbraw/zinc/49/55/68/361495568.db2.gz YJRMMLZACBDYPG-VHSXEESVSA-N 2 2 245.323 -1.515 20 0 BAADLP C[C@@H]([NH3+])C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000629608546 361495926 /nfs/dbraw/zinc/49/59/26/361495926.db2.gz YJRMMLZACBDYPG-ZJUUUORDSA-N 2 2 245.323 -1.515 20 0 BAADLP CC[N@@H+](CC[NH3+])Cc1cn(C)c(=O)n(C)c1=O ZINC000629654706 361557980 /nfs/dbraw/zinc/55/79/80/361557980.db2.gz PVKXAOQUCQPWNV-UHFFFAOYSA-N 2 2 240.307 -1.135 20 0 BAADLP CC[N@H+](CC[NH3+])Cc1cn(C)c(=O)n(C)c1=O ZINC000629654706 361557977 /nfs/dbraw/zinc/55/79/77/361557977.db2.gz PVKXAOQUCQPWNV-UHFFFAOYSA-N 2 2 240.307 -1.135 20 0 BAADLP CCN(CC[NH3+])C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000629811046 361712020 /nfs/dbraw/zinc/71/20/20/361712020.db2.gz AYWORBAZCGZCDY-UHFFFAOYSA-N 2 2 242.323 -1.432 20 0 BAADLP Cc1nc(N2CC[NH+](CCO)CC2)nc(N)[nH+]1 ZINC000631034424 411590190 /nfs/dbraw/zinc/59/01/90/411590190.db2.gz SWGKONLFKNLSLO-UHFFFAOYSA-N 2 2 238.295 -1.123 20 0 BAADLP Nc1nc(N2CC([NH+]3CCCC3)C2)nc(N)[nH+]1 ZINC000631353092 342823081 /nfs/dbraw/zinc/82/30/81/342823081.db2.gz CPEBQRCFFUDOKO-UHFFFAOYSA-N 2 2 235.295 -1.019 20 0 BAADLP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1CCN1C(=O)CNC1=O ZINC000631858651 372658466 /nfs/dbraw/zinc/65/84/66/372658466.db2.gz BXDJCCPMDQJDEO-HTQZYQBOSA-N 2 2 226.280 -1.040 20 0 BAADLP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1CCN1C(=O)CNC1=O ZINC000631858651 372658463 /nfs/dbraw/zinc/65/84/63/372658463.db2.gz BXDJCCPMDQJDEO-HTQZYQBOSA-N 2 2 226.280 -1.040 20 0 BAADLP C[C@H]1C[C@@H]([NH3+])C[N@H+]1CCN1C(=O)CNC1=O ZINC000631858652 372658436 /nfs/dbraw/zinc/65/84/36/372658436.db2.gz BXDJCCPMDQJDEO-JGVFFNPUSA-N 2 2 226.280 -1.040 20 0 BAADLP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1CCN1C(=O)CNC1=O ZINC000631858652 372658434 /nfs/dbraw/zinc/65/84/34/372658434.db2.gz BXDJCCPMDQJDEO-JGVFFNPUSA-N 2 2 226.280 -1.040 20 0 BAADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1CCN1C(=O)CNC1=O ZINC000631858653 372658569 /nfs/dbraw/zinc/65/85/69/372658569.db2.gz BXDJCCPMDQJDEO-SFYZADRCSA-N 2 2 226.280 -1.040 20 0 BAADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1CCN1C(=O)CNC1=O ZINC000631858653 372658568 /nfs/dbraw/zinc/65/85/68/372658568.db2.gz BXDJCCPMDQJDEO-SFYZADRCSA-N 2 2 226.280 -1.040 20 0 BAADLP C[C@H]1C[C@H]([NH3+])C[N@H+]1CCN1C(=O)CNC1=O ZINC000631858654 372658094 /nfs/dbraw/zinc/65/80/94/372658094.db2.gz BXDJCCPMDQJDEO-YUMQZZPRSA-N 2 2 226.280 -1.040 20 0 BAADLP C[C@H]1C[C@H]([NH3+])C[N@@H+]1CCN1C(=O)CNC1=O ZINC000631858654 372658089 /nfs/dbraw/zinc/65/80/89/372658089.db2.gz BXDJCCPMDQJDEO-YUMQZZPRSA-N 2 2 226.280 -1.040 20 0 BAADLP Cn1nccc1CC[N@@H+](CC[NH3+])C[C@@H](O)CO ZINC000634688435 343247133 /nfs/dbraw/zinc/24/71/33/343247133.db2.gz SGTSGOXDMIYFKZ-LLVKDONJSA-N 2 2 242.323 -1.424 20 0 BAADLP Cn1nccc1CC[N@H+](CC[NH3+])C[C@@H](O)CO ZINC000634688435 343247132 /nfs/dbraw/zinc/24/71/32/343247132.db2.gz SGTSGOXDMIYFKZ-LLVKDONJSA-N 2 2 242.323 -1.424 20 0 BAADLP Cn1nccc1CC[N@@H+](CC[NH3+])C[C@H](O)CO ZINC000634688436 343247121 /nfs/dbraw/zinc/24/71/21/343247121.db2.gz SGTSGOXDMIYFKZ-NSHDSACASA-N 2 2 242.323 -1.424 20 0 BAADLP Cn1nccc1CC[N@H+](CC[NH3+])C[C@H](O)CO ZINC000634688436 343247120 /nfs/dbraw/zinc/24/71/20/343247120.db2.gz SGTSGOXDMIYFKZ-NSHDSACASA-N 2 2 242.323 -1.424 20 0 BAADLP C[N@@H+](C[C@@H](O)C[NH2+][C@@H]1COC[C@@H]1O)C1CC1 ZINC000634725051 343945757 /nfs/dbraw/zinc/94/57/57/343945757.db2.gz FUXWXNCZODNMHW-AXFHLTTASA-N 2 2 230.308 -1.209 20 0 BAADLP C[N@H+](C[C@@H](O)C[NH2+][C@@H]1COC[C@@H]1O)C1CC1 ZINC000634725051 343945753 /nfs/dbraw/zinc/94/57/53/343945753.db2.gz FUXWXNCZODNMHW-AXFHLTTASA-N 2 2 230.308 -1.209 20 0 BAADLP O[C@@H](C[NH2+][C@@H]1COC[C@@H]1O)C[NH+]1CCCC1 ZINC000634725489 398124198 /nfs/dbraw/zinc/12/41/98/398124198.db2.gz VBAFYWYMHJQWPL-AXFHLTTASA-N 2 2 230.308 -1.208 20 0 BAADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C(N)=O ZINC000636160295 346340979 /nfs/dbraw/zinc/34/09/79/346340979.db2.gz CRXGCEXUFAJYGG-VIFPVBQESA-N 2 2 244.339 -1.140 20 0 BAADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C(N)=O ZINC000636160295 346340976 /nfs/dbraw/zinc/34/09/76/346340976.db2.gz CRXGCEXUFAJYGG-VIFPVBQESA-N 2 2 244.339 -1.140 20 0 BAADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(N)=O ZINC000636172188 346344812 /nfs/dbraw/zinc/34/48/12/346344812.db2.gz VOTJKIWOKMAEEU-UHFFFAOYSA-N 2 2 230.312 -1.529 20 0 BAADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(N)=O ZINC000636172188 346344808 /nfs/dbraw/zinc/34/48/08/346344808.db2.gz VOTJKIWOKMAEEU-UHFFFAOYSA-N 2 2 230.312 -1.529 20 0 BAADLP C[C@H](C(=O)NCC[NH3+])N1CC[NH2+]CC1=O ZINC000637797686 351629582 /nfs/dbraw/zinc/62/95/82/351629582.db2.gz RBJSTUYOAHANEN-SSDOTTSWSA-N 2 2 214.269 -2.118 20 0 BAADLP C[C@@H](C(=O)NCC[NH3+])N1CC[NH2+]CC1=O ZINC000637797702 351630092 /nfs/dbraw/zinc/63/00/92/351630092.db2.gz RBJSTUYOAHANEN-ZETCQYMHSA-N 2 2 214.269 -2.118 20 0 BAADLP C[C@H](C(=O)N1CC[NH2+]CC1)N1CC[NH2+]CC1=O ZINC000637800314 351635783 /nfs/dbraw/zinc/63/57/83/351635783.db2.gz DFCKTFIINWUHOU-SECBINFHSA-N 2 2 240.307 -1.762 20 0 BAADLP C[C@@H](C(=O)N1CC[NH2+]CC1)N1CC[NH2+]CC1=O ZINC000637800318 351635244 /nfs/dbraw/zinc/63/52/44/351635244.db2.gz DFCKTFIINWUHOU-VIFPVBQESA-N 2 2 240.307 -1.762 20 0 BAADLP C[C@H](C(=O)NCCC[NH3+])N1CC[NH2+]CC1=O ZINC000637800358 351635534 /nfs/dbraw/zinc/63/55/34/351635534.db2.gz BXRXXKJEEFGIEN-MRVPVSSYSA-N 2 2 228.296 -1.728 20 0 BAADLP C[C@@H](C(=O)NCCC[NH3+])N1CC[NH2+]CC1=O ZINC000637800359 351635401 /nfs/dbraw/zinc/63/54/01/351635401.db2.gz BXRXXKJEEFGIEN-QMMMGPOBSA-N 2 2 228.296 -1.728 20 0 BAADLP C[C@@H](C(=O)N1CC[C@@H]([NH3+])C1)N1CC[NH2+]CC1=O ZINC000637802459 351635643 /nfs/dbraw/zinc/63/56/43/351635643.db2.gz QEMLJKPTDVVELG-DTWKUNHWSA-N 2 2 240.307 -1.634 20 0 BAADLP C[C@H](C(=O)N1CC[C@@H]([NH3+])C1)N1CC[NH2+]CC1=O ZINC000637802462 351635157 /nfs/dbraw/zinc/63/51/57/351635157.db2.gz QEMLJKPTDVVELG-RKDXNWHRSA-N 2 2 240.307 -1.634 20 0 BAADLP C[NH2+]CCCNC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000637806881 351644010 /nfs/dbraw/zinc/64/40/10/351644010.db2.gz XESRCZFSCYWYJB-SECBINFHSA-N 2 2 242.323 -1.468 20 0 BAADLP C[NH2+]CCCNC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000637806882 351643755 /nfs/dbraw/zinc/64/37/55/351643755.db2.gz XESRCZFSCYWYJB-VIFPVBQESA-N 2 2 242.323 -1.468 20 0 BAADLP C[C@H](C(=O)N[C@H]1CC[NH2+]C1)N1CC[NH2+]CC1=O ZINC000637810380 351650508 /nfs/dbraw/zinc/65/05/08/351650508.db2.gz HIOSVCWBNZBSKN-BDAKNGLRSA-N 2 2 240.307 -1.715 20 0 BAADLP C[C@@H](C(=O)N[C@@H]1CC[NH2+]C1)N1CC[NH2+]CC1=O ZINC000637810384 351650422 /nfs/dbraw/zinc/65/04/22/351650422.db2.gz HIOSVCWBNZBSKN-DTWKUNHWSA-N 2 2 240.307 -1.715 20 0 BAADLP C[C@@H](C(=O)N[C@H]1CC[NH2+]C1)N1CC[NH2+]CC1=O ZINC000637810385 351650567 /nfs/dbraw/zinc/65/05/67/351650567.db2.gz HIOSVCWBNZBSKN-IUCAKERBSA-N 2 2 240.307 -1.715 20 0 BAADLP C[C@H](C(=O)N[C@@H]1CC[NH2+]C1)N1CC[NH2+]CC1=O ZINC000637810386 351650298 /nfs/dbraw/zinc/65/02/98/351650298.db2.gz HIOSVCWBNZBSKN-RKDXNWHRSA-N 2 2 240.307 -1.715 20 0 BAADLP C[C@H](C(=O)N1CC[C@H]([NH3+])C1)N1CC[NH2+]CC1=O ZINC000637821237 351660153 /nfs/dbraw/zinc/66/01/53/351660153.db2.gz QEMLJKPTDVVELG-BDAKNGLRSA-N 2 2 240.307 -1.634 20 0 BAADLP C[C@@H](C(=O)N1CC[C@H]([NH3+])C1)N1CC[NH2+]CC1=O ZINC000637821238 351659474 /nfs/dbraw/zinc/65/94/74/351659474.db2.gz QEMLJKPTDVVELG-IUCAKERBSA-N 2 2 240.307 -1.634 20 0 BAADLP C[C@H](C(=O)NCC[C@H](C)[NH3+])N1CC[NH2+]CC1=O ZINC000637823837 351669179 /nfs/dbraw/zinc/66/91/79/351669179.db2.gz JYHIBYFJDWEBDJ-DTWKUNHWSA-N 2 2 242.323 -1.340 20 0 BAADLP C[C@H]([NH3+])CCNC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000637823839 351669237 /nfs/dbraw/zinc/66/92/37/351669237.db2.gz JYHIBYFJDWEBDJ-IUCAKERBSA-N 2 2 242.323 -1.340 20 0 BAADLP C[NH2+]CCNC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000637825364 351665773 /nfs/dbraw/zinc/66/57/73/351665773.db2.gz ZNUSQPRPPRAOKL-MRVPVSSYSA-N 2 2 228.296 -1.858 20 0 BAADLP C[NH2+]CCNC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000637825365 351665829 /nfs/dbraw/zinc/66/58/29/351665829.db2.gz ZNUSQPRPPRAOKL-QMMMGPOBSA-N 2 2 228.296 -1.858 20 0 BAADLP CC[NH2+]CCNC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000637826071 351672300 /nfs/dbraw/zinc/67/23/00/351672300.db2.gz GMGPRQULYHOWIV-SECBINFHSA-N 2 2 242.323 -1.468 20 0 BAADLP CC[NH2+]CCNC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000637826072 351672488 /nfs/dbraw/zinc/67/24/88/351672488.db2.gz GMGPRQULYHOWIV-VIFPVBQESA-N 2 2 242.323 -1.468 20 0 BAADLP C[C@H](C(=O)NC(C)(C)C[NH3+])N1CC[NH2+]CC1=O ZINC000637829590 351677820 /nfs/dbraw/zinc/67/78/20/351677820.db2.gz RSFJKTHBUUZPFG-MRVPVSSYSA-N 2 2 242.323 -1.340 20 0 BAADLP C[C@@H](C(=O)NC(C)(C)C[NH3+])N1CC[NH2+]CC1=O ZINC000637829591 351678022 /nfs/dbraw/zinc/67/80/22/351678022.db2.gz RSFJKTHBUUZPFG-QMMMGPOBSA-N 2 2 242.323 -1.340 20 0 BAADLP C[C@H](C[NH3+])N(C)C(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000637840140 351694921 /nfs/dbraw/zinc/69/49/21/351694921.db2.gz CLWKUXXTCMSRDM-BDAKNGLRSA-N 2 2 242.323 -1.388 20 0 BAADLP C[C@H](C(=O)N(C)[C@@H](C)C[NH3+])N1CC[NH2+]CC1=O ZINC000637840141 351694613 /nfs/dbraw/zinc/69/46/13/351694613.db2.gz CLWKUXXTCMSRDM-DTWKUNHWSA-N 2 2 242.323 -1.388 20 0 BAADLP C[C@@H](C[NH3+])N(C)C(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000637840142 351694892 /nfs/dbraw/zinc/69/48/92/351694892.db2.gz CLWKUXXTCMSRDM-IUCAKERBSA-N 2 2 242.323 -1.388 20 0 BAADLP C[C@H](C[NH3+])N(C)C(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000637840143 351694459 /nfs/dbraw/zinc/69/44/59/351694459.db2.gz CLWKUXXTCMSRDM-RKDXNWHRSA-N 2 2 242.323 -1.388 20 0 BAADLP C[C@H](C(=O)N(C)CCC[NH3+])N1CC[NH2+]CC1=O ZINC000637852117 351710995 /nfs/dbraw/zinc/71/09/95/351710995.db2.gz CICXIEHFPMTGCE-SECBINFHSA-N 2 2 242.323 -1.386 20 0 BAADLP C[C@@H](C(=O)N(C)CCC[NH3+])N1CC[NH2+]CC1=O ZINC000637852118 351711391 /nfs/dbraw/zinc/71/13/91/351711391.db2.gz CICXIEHFPMTGCE-VIFPVBQESA-N 2 2 242.323 -1.386 20 0 BAADLP C[C@H](C(=O)NCC(C)(C)[NH3+])N1CC[NH2+]CC1=O ZINC000637857630 351717734 /nfs/dbraw/zinc/71/77/34/351717734.db2.gz SAUNXHCJCNQRIW-MRVPVSSYSA-N 2 2 242.323 -1.340 20 0 BAADLP C[C@@H](C(=O)NCC(C)(C)[NH3+])N1CC[NH2+]CC1=O ZINC000637857632 351717903 /nfs/dbraw/zinc/71/79/03/351717903.db2.gz SAUNXHCJCNQRIW-QMMMGPOBSA-N 2 2 242.323 -1.340 20 0 BAADLP C[N@H+]1CCN(C(=O)Cc2nnc[nH]2)[C@H](C[NH3+])C1 ZINC000637865705 351725863 /nfs/dbraw/zinc/72/58/63/351725863.db2.gz DGKNLXFTZINTRD-MRVPVSSYSA-N 2 2 238.295 -1.552 20 0 BAADLP C[N@@H+]1CCN(C(=O)Cc2nnc[nH]2)[C@H](C[NH3+])C1 ZINC000637865705 351725862 /nfs/dbraw/zinc/72/58/62/351725862.db2.gz DGKNLXFTZINTRD-MRVPVSSYSA-N 2 2 238.295 -1.552 20 0 BAADLP C[N@H+]1CCN(C(=O)Cc2nnc[nH]2)[C@@H](C[NH3+])C1 ZINC000637865706 351725618 /nfs/dbraw/zinc/72/56/18/351725618.db2.gz 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[NH3+][C@@H]1CCO[C@@H]1C(=O)NCC[NH+]1CCOCC1 ZINC000638048615 351928732 /nfs/dbraw/zinc/92/87/32/351928732.db2.gz PAKYFTYCCALIDB-ZJUUUORDSA-N 2 2 243.307 -1.449 20 0 BAADLP C[C@H](C[NH3+])CNC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638141925 352006050 /nfs/dbraw/zinc/00/60/50/352006050.db2.gz PGODEBJZOAFSMB-BDAKNGLRSA-N 2 2 242.323 -1.482 20 0 BAADLP C[C@H](C(=O)NC[C@@H](C)C[NH3+])N1CC[NH2+]CC1=O ZINC000638141943 352006091 /nfs/dbraw/zinc/00/60/91/352006091.db2.gz PGODEBJZOAFSMB-DTWKUNHWSA-N 2 2 242.323 -1.482 20 0 BAADLP C[C@@H](C[NH3+])CNC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638141944 352006097 /nfs/dbraw/zinc/00/60/97/352006097.db2.gz PGODEBJZOAFSMB-IUCAKERBSA-N 2 2 242.323 -1.482 20 0 BAADLP C[C@H](C[NH3+])CNC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638141946 352006259 /nfs/dbraw/zinc/00/62/59/352006259.db2.gz PGODEBJZOAFSMB-RKDXNWHRSA-N 2 2 242.323 -1.482 20 0 BAADLP C[NH+]1CCN(C(=O)[C@@H]2OCC[C@@H]2[NH3+])CC1 ZINC000638150134 352011503 /nfs/dbraw/zinc/01/15/03/352011503.db2.gz VEPXDKMUYCBCTN-DTWKUNHWSA-N 2 2 213.281 -1.123 20 0 BAADLP C[C@H](CC[NH3+])NC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638152648 352016668 /nfs/dbraw/zinc/01/66/68/352016668.db2.gz AYTLXGNJLWEXOQ-BDAKNGLRSA-N 2 2 242.323 -1.340 20 0 BAADLP C[C@H](C(=O)N[C@@H](C)CC[NH3+])N1CC[NH2+]CC1=O ZINC000638152650 352016863 /nfs/dbraw/zinc/01/68/63/352016863.db2.gz AYTLXGNJLWEXOQ-DTWKUNHWSA-N 2 2 242.323 -1.340 20 0 BAADLP C[C@@H](CC[NH3+])NC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638152651 352016480 /nfs/dbraw/zinc/01/64/80/352016480.db2.gz AYTLXGNJLWEXOQ-IUCAKERBSA-N 2 2 242.323 -1.340 20 0 BAADLP C[C@H](CC[NH3+])NC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638152653 352016689 /nfs/dbraw/zinc/01/66/89/352016689.db2.gz AYTLXGNJLWEXOQ-RKDXNWHRSA-N 2 2 242.323 -1.340 20 0 BAADLP C[C@H](C[NH3+])NC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638170282 352034428 /nfs/dbraw/zinc/03/44/28/352034428.db2.gz IUDUTRWQBBLXPU-HTQZYQBOSA-N 2 2 228.296 -1.730 20 0 BAADLP C[C@H](C[NH3+])NC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638170288 352034579 /nfs/dbraw/zinc/03/45/79/352034579.db2.gz IUDUTRWQBBLXPU-SFYZADRCSA-N 2 2 228.296 -1.730 20 0 BAADLP Nc1nc(N)c(CN2C[C@H]3C[NH2+]C[C@@H]3C2)c[nH+]1 ZINC000638186236 352051190 /nfs/dbraw/zinc/05/11/90/352051190.db2.gz ORCYPIWNLLAEON-HTQZYQBOSA-N 2 2 234.307 -1.047 20 0 BAADLP Nc1nc(N)c(CN2C[C@H]3C[NH2+]C[C@H]3C2)c[nH+]1 ZINC000638186237 352051089 /nfs/dbraw/zinc/05/10/89/352051089.db2.gz ORCYPIWNLLAEON-OCAPTIKFSA-N 2 2 234.307 -1.047 20 0 BAADLP Nc1nc(N)c(CN2C[C@@H]3C[NH2+]C[C@H]3C2)c[nH+]1 ZINC000638186238 352051265 /nfs/dbraw/zinc/05/12/65/352051265.db2.gz ORCYPIWNLLAEON-YUMQZZPRSA-N 2 2 234.307 -1.047 20 0 BAADLP C[C@@H]([NH3+])CNC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638211939 352073940 /nfs/dbraw/zinc/07/39/40/352073940.db2.gz VNXRJAPESCQUMS-HTQZYQBOSA-N 2 2 228.296 -1.730 20 0 BAADLP C[C@H](C(=O)NC[C@H](C)[NH3+])N1CC[NH2+]CC1=O ZINC000638211940 352074232 /nfs/dbraw/zinc/07/42/32/352074232.db2.gz VNXRJAPESCQUMS-JGVFFNPUSA-N 2 2 228.296 -1.730 20 0 BAADLP 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C[NH2+]C[C@@H](C)NC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638432856 352241424 /nfs/dbraw/zinc/24/14/24/352241424.db2.gz RWNFRWBCVNNPCQ-RKDXNWHRSA-N 2 2 242.323 -1.469 20 0 BAADLP CCN(CC[NH3+])C(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638513890 352339713 /nfs/dbraw/zinc/33/97/13/352339713.db2.gz XPXHBSCVFFHSSY-SECBINFHSA-N 2 2 242.323 -1.386 20 0 BAADLP CCN(CC[NH3+])C(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638513891 352339698 /nfs/dbraw/zinc/33/96/98/352339698.db2.gz XPXHBSCVFFHSSY-VIFPVBQESA-N 2 2 242.323 -1.386 20 0 BAADLP CCN(CC[NH3+])C(=O)CN1CC[NH2+]CC1=O ZINC000638522146 352356012 /nfs/dbraw/zinc/35/60/12/352356012.db2.gz ADCUKNDDBKKEBD-UHFFFAOYSA-N 2 2 228.296 -1.775 20 0 BAADLP C[C@@H]([NH3+])C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000638608924 352445910 /nfs/dbraw/zinc/44/59/10/352445910.db2.gz DAKNWYABFORPCQ-HTQZYQBOSA-N 2 2 201.270 -1.220 20 0 BAADLP C[C@@H]([NH3+])C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000638608924 352445909 /nfs/dbraw/zinc/44/59/09/352445909.db2.gz DAKNWYABFORPCQ-HTQZYQBOSA-N 2 2 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C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000638610855 352449497 /nfs/dbraw/zinc/44/94/97/352449497.db2.gz LHOKEJOUUKMIIS-UWVGGRQHSA-N 2 2 243.307 -1.578 20 0 BAADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1C[NH2+]CCO1 ZINC000638610856 352449581 /nfs/dbraw/zinc/44/95/81/352449581.db2.gz LHOKEJOUUKMIIS-VHSXEESVSA-N 2 2 243.307 -1.578 20 0 BAADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1C[NH2+]CCO1 ZINC000638610856 352449579 /nfs/dbraw/zinc/44/95/79/352449579.db2.gz LHOKEJOUUKMIIS-VHSXEESVSA-N 2 2 243.307 -1.578 20 0 BAADLP C[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000638610858 352449677 /nfs/dbraw/zinc/44/96/77/352449677.db2.gz LHOKEJOUUKMIIS-ZJUUUORDSA-N 2 2 243.307 -1.578 20 0 BAADLP C[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000638610858 352449673 /nfs/dbraw/zinc/44/96/73/352449673.db2.gz LHOKEJOUUKMIIS-ZJUUUORDSA-N 2 2 243.307 -1.578 20 0 BAADLP COCC[NH2+]CC(=O)NC[C@H]1COCC[N@H+]1C ZINC000638610917 352449236 /nfs/dbraw/zinc/44/92/36/352449236.db2.gz LZJORAYBMCFBKU-JTQLQIEISA-N 2 2 245.323 -1.331 20 0 BAADLP COCC[NH2+]CC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000638610919 352449301 /nfs/dbraw/zinc/44/93/01/352449301.db2.gz LZJORAYBMCFBKU-SNVBAGLBSA-N 2 2 245.323 -1.331 20 0 BAADLP C[N@H+]1CCOC[C@H]1CNC(=O)C1(O)C[NH2+]C1 ZINC000638611249 352449252 /nfs/dbraw/zinc/44/92/52/352449252.db2.gz NFKARMIXKULVIV-MRVPVSSYSA-N 2 2 229.280 -2.233 20 0 BAADLP C[N@@H+]1CCOC[C@H]1CNC(=O)C1(O)C[NH2+]C1 ZINC000638611249 352449250 /nfs/dbraw/zinc/44/92/50/352449250.db2.gz NFKARMIXKULVIV-MRVPVSSYSA-N 2 2 229.280 -2.233 20 0 BAADLP C[N@H+]1CCOC[C@@H]1CNC(=O)C1(O)C[NH2+]C1 ZINC000638611254 352449218 /nfs/dbraw/zinc/44/92/18/352449218.db2.gz NFKARMIXKULVIV-QMMMGPOBSA-N 2 2 229.280 -2.233 20 0 BAADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)C1(O)C[NH2+]C1 ZINC000638611254 352449215 /nfs/dbraw/zinc/44/92/15/352449215.db2.gz NFKARMIXKULVIV-QMMMGPOBSA-N 2 2 229.280 -2.233 20 0 BAADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000638611709 352451369 /nfs/dbraw/zinc/45/13/69/352451369.db2.gz 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352450858 /nfs/dbraw/zinc/45/08/58/352450858.db2.gz QBCYKXJIIZFODE-VIFPVBQESA-N 2 2 231.296 -1.592 20 0 BAADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)COCC[NH3+] ZINC000638611757 352450854 /nfs/dbraw/zinc/45/08/54/352450854.db2.gz QBCYKXJIIZFODE-VIFPVBQESA-N 2 2 231.296 -1.592 20 0 BAADLP C[N@H+]1CCOC[C@H]1CNC(=O)C1([NH3+])CC1 ZINC000638612397 352452124 /nfs/dbraw/zinc/45/21/24/352452124.db2.gz VLTFXGDAHNSKOO-MRVPVSSYSA-N 2 2 213.281 -1.076 20 0 BAADLP C[N@H+]1CCOC[C@@H]1CNC(=O)C1([NH3+])CC1 ZINC000638612398 352452260 /nfs/dbraw/zinc/45/22/60/352452260.db2.gz VLTFXGDAHNSKOO-QMMMGPOBSA-N 2 2 213.281 -1.076 20 0 BAADLP C[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638612974 352449964 /nfs/dbraw/zinc/44/99/64/352449964.db2.gz YXRHGDZQKUIRFW-KXUCPTDWSA-N 2 2 243.307 -1.451 20 0 BAADLP C[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638612974 352449960 /nfs/dbraw/zinc/44/99/60/352449960.db2.gz YXRHGDZQKUIRFW-KXUCPTDWSA-N 2 2 243.307 -1.451 20 0 BAADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638612975 352450124 /nfs/dbraw/zinc/45/01/24/352450124.db2.gz YXRHGDZQKUIRFW-LPEHRKFASA-N 2 2 243.307 -1.451 20 0 BAADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638612975 352450120 /nfs/dbraw/zinc/45/01/20/352450120.db2.gz YXRHGDZQKUIRFW-LPEHRKFASA-N 2 2 243.307 -1.451 20 0 BAADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)CN1CC[NH2+]CC1=O ZINC000638787654 385964809 /nfs/dbraw/zinc/96/48/09/385964809.db2.gz IYWNQEJJNXCQMW-DTWKUNHWSA-N 2 2 240.307 -1.715 20 0 BAADLP O=C(CN1CC[NH2+]CC1=O)N[C@@H]1CC[NH2+]C1 ZINC000638792100 352753751 /nfs/dbraw/zinc/75/37/51/352753751.db2.gz LVDNLVSFNWDDGU-MRVPVSSYSA-N 2 2 226.280 -2.104 20 0 BAADLP O=C(CN1CC[NH2+]CC1=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638909335 353066416 /nfs/dbraw/zinc/06/64/16/353066416.db2.gz FJEOKIZZBAIKBV-IUCAKERBSA-N 2 2 238.291 -2.009 20 0 BAADLP C[C@@H]1C[C@H]([NH3+])CN1C(=O)CN1CC[NH2+]CC1=O ZINC000638945086 353148793 /nfs/dbraw/zinc/14/87/93/353148793.db2.gz BHQWJXPCJNHJPT-BDAKNGLRSA-N 2 2 240.307 -1.634 20 0 BAADLP C[C@H]1C[C@@H]([NH3+])CN1C(=O)CN1CC[NH2+]CC1=O ZINC000638945087 353148789 /nfs/dbraw/zinc/14/87/89/353148789.db2.gz BHQWJXPCJNHJPT-DTWKUNHWSA-N 2 2 240.307 -1.634 20 0 BAADLP C[C@H]1C[C@H]([NH3+])CN1C(=O)CN1CC[NH2+]CC1=O ZINC000638945088 353148914 /nfs/dbraw/zinc/14/89/14/353148914.db2.gz BHQWJXPCJNHJPT-IUCAKERBSA-N 2 2 240.307 -1.634 20 0 BAADLP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)CN1CC[NH2+]CC1=O ZINC000638945089 353148938 /nfs/dbraw/zinc/14/89/38/353148938.db2.gz BHQWJXPCJNHJPT-RKDXNWHRSA-N 2 2 240.307 -1.634 20 0 BAADLP CN(Cc1[nH]cc[nH+]1)C(=O)C1(O)C[NH2+]C1 ZINC000639016362 353267978 /nfs/dbraw/zinc/26/79/78/353267978.db2.gz HEDKLKIGAASCPB-UHFFFAOYSA-N 2 2 210.237 -1.298 20 0 BAADLP C[NH+]1CCN(C(=O)C[N@H+]2C[C@@H]3C[C@]3(O)C2)CC1 ZINC000640475475 361248042 /nfs/dbraw/zinc/24/80/42/361248042.db2.gz GPKHIWSZJHVLBE-JQWIXIFHSA-N 2 2 239.319 -1.173 20 0 BAADLP C[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H]3C[C@]3(O)C2)CC1 ZINC000640475475 361248034 /nfs/dbraw/zinc/24/80/34/361248034.db2.gz GPKHIWSZJHVLBE-JQWIXIFHSA-N 2 2 239.319 -1.173 20 0 BAADLP C[NH+]1CCN(C(=O)C[N@H+]2C[C@H]3C[C@@]3(O)C2)CC1 ZINC000640475479 361247274 /nfs/dbraw/zinc/24/72/74/361247274.db2.gz GPKHIWSZJHVLBE-ZYHUDNBSSA-N 2 2 239.319 -1.173 20 0 BAADLP C[NH+]1CCN(C(=O)C[N@@H+]2C[C@H]3C[C@@]3(O)C2)CC1 ZINC000640475479 361247270 /nfs/dbraw/zinc/24/72/70/361247270.db2.gz GPKHIWSZJHVLBE-ZYHUDNBSSA-N 2 2 239.319 -1.173 20 0 BAADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000640488592 361281740 /nfs/dbraw/zinc/28/17/40/361281740.db2.gz UXTBTEFQHVLJPY-GRYCIOLGSA-N 2 2 244.335 -1.008 20 0 BAADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000640488592 361281737 /nfs/dbraw/zinc/28/17/37/361281737.db2.gz UXTBTEFQHVLJPY-GRYCIOLGSA-N 2 2 244.335 -1.008 20 0 BAADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H]2C[C@@]2(O)C1 ZINC000640488592 361281734 /nfs/dbraw/zinc/28/17/34/361281734.db2.gz UXTBTEFQHVLJPY-GRYCIOLGSA-N 2 2 244.335 -1.008 20 0 BAADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@H]2C[C@@]2(O)C1 ZINC000640488592 361281731 /nfs/dbraw/zinc/28/17/31/361281731.db2.gz UXTBTEFQHVLJPY-GRYCIOLGSA-N 2 2 244.335 -1.008 20 0 BAADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000640488596 361281637 /nfs/dbraw/zinc/28/16/37/361281637.db2.gz UXTBTEFQHVLJPY-SRVKXCTJSA-N 2 2 244.335 -1.008 20 0 BAADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000640488596 361281633 /nfs/dbraw/zinc/28/16/33/361281633.db2.gz UXTBTEFQHVLJPY-SRVKXCTJSA-N 2 2 244.335 -1.008 20 0 BAADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H]2C[C@]2(O)C1 ZINC000640488596 361281630 /nfs/dbraw/zinc/28/16/30/361281630.db2.gz UXTBTEFQHVLJPY-SRVKXCTJSA-N 2 2 244.335 -1.008 20 0 BAADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2C[C@]2(O)C1 ZINC000640488596 361281628 /nfs/dbraw/zinc/28/16/28/361281628.db2.gz UXTBTEFQHVLJPY-SRVKXCTJSA-N 2 2 244.335 -1.008 20 0 BAADLP Cc1cc(NC[C@@]2(CO)COCC[NH2+]2)nc[nH+]1 ZINC000641688179 411373307 /nfs/dbraw/zinc/37/33/07/411373307.db2.gz HSQCGQGWYPXKGR-LLVKDONJSA-N 2 2 238.291 -0.452 20 0 BAADLP Cc1cc(NC[C@]2(CO)COCC[NH2+]2)nc[nH+]1 ZINC000641688180 411652297 /nfs/dbraw/zinc/65/22/97/411652297.db2.gz HSQCGQGWYPXKGR-NSHDSACASA-N 2 2 238.291 -0.452 20 0 BAADLP Cc1nc(NC[C@@]2(CO)COCC[NH2+]2)cc[nH+]1 ZINC000641690510 490102403 /nfs/dbraw/zinc/10/24/03/490102403.db2.gz XZVJUCDQZPKIPC-LLVKDONJSA-N 2 2 238.291 -0.452 20 0 BAADLP Cc1nc(NC[C@]2(CO)COCC[NH2+]2)cc[nH+]1 ZINC000641690511 490102005 /nfs/dbraw/zinc/10/20/05/490102005.db2.gz XZVJUCDQZPKIPC-NSHDSACASA-N 2 2 238.291 -0.452 20 0 BAADLP C[C@@H]1C[N@@H+](CCCS(N)(=O)=O)C[C@H]1[NH3+] ZINC000641799069 362746200 /nfs/dbraw/zinc/74/62/00/362746200.db2.gz JGFXLVXJTXONJT-HTQZYQBOSA-N 2 2 221.326 -1.056 20 0 BAADLP C[C@@H]1C[N@H+](CCCS(N)(=O)=O)C[C@H]1[NH3+] ZINC000641799069 362746194 /nfs/dbraw/zinc/74/61/94/362746194.db2.gz JGFXLVXJTXONJT-HTQZYQBOSA-N 2 2 221.326 -1.056 20 0 BAADLP COC[C@@H](C(N)=O)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000641804361 362761505 /nfs/dbraw/zinc/76/15/05/362761505.db2.gz HXWZIYXNIGDTLU-JTQLQIEISA-N 2 2 244.339 -1.676 20 0 BAADLP COC[C@@H](C(N)=O)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000641804361 362761501 /nfs/dbraw/zinc/76/15/01/362761501.db2.gz HXWZIYXNIGDTLU-JTQLQIEISA-N 2 2 244.339 -1.676 20 0 BAADLP CC[N@@H+](CC[NH3+])CCCS(N)(=O)=O ZINC000641817965 362769691 /nfs/dbraw/zinc/76/96/91/362769691.db2.gz ALKNTJCGAJQQDZ-UHFFFAOYSA-N 2 2 209.315 -1.054 20 0 BAADLP CC[N@H+](CC[NH3+])CCCS(N)(=O)=O ZINC000641817965 362769688 /nfs/dbraw/zinc/76/96/88/362769688.db2.gz ALKNTJCGAJQQDZ-UHFFFAOYSA-N 2 2 209.315 -1.054 20 0 BAADLP [NH3+]CC[N@@H+](CCc1cn[nH]c1)C[C@H](O)CO ZINC000641818409 362770413 /nfs/dbraw/zinc/77/04/13/362770413.db2.gz DQFWVSOKPFRTII-JTQLQIEISA-N 2 2 228.296 -1.434 20 0 BAADLP [NH3+]CC[N@H+](CCc1cn[nH]c1)C[C@H](O)CO ZINC000641818409 362770409 /nfs/dbraw/zinc/77/04/09/362770409.db2.gz DQFWVSOKPFRTII-JTQLQIEISA-N 2 2 228.296 -1.434 20 0 BAADLP [NH3+]CC[N@@H+](CCc1cn[nH]c1)C[C@@H](O)CO ZINC000641818410 362770104 /nfs/dbraw/zinc/77/01/04/362770104.db2.gz DQFWVSOKPFRTII-SNVBAGLBSA-N 2 2 228.296 -1.434 20 0 BAADLP [NH3+]CC[N@H+](CCc1cn[nH]c1)C[C@@H](O)CO ZINC000641818410 362770100 /nfs/dbraw/zinc/77/01/00/362770100.db2.gz DQFWVSOKPFRTII-SNVBAGLBSA-N 2 2 228.296 -1.434 20 0 BAADLP CC[NH+]1CCN(C(=O)C(=O)NC[C@@H](C)[NH3+])CC1 ZINC000642910784 384157296 /nfs/dbraw/zinc/15/72/96/384157296.db2.gz NWMIJXQKIXVYPW-SECBINFHSA-N 2 2 242.323 -1.386 20 0 BAADLP CC[NH+]1CCN(C(=O)C(=O)NC[C@H](C)[NH3+])CC1 ZINC000642910785 384156869 /nfs/dbraw/zinc/15/68/69/384156869.db2.gz NWMIJXQKIXVYPW-VIFPVBQESA-N 2 2 242.323 -1.386 20 0 BAADLP CC[NH+]1CCN(C(=O)C(=O)NC2C[NH2+]C2)CC1 ZINC000642926729 384341745 /nfs/dbraw/zinc/34/17/45/384341745.db2.gz BXBPPTFYGKDARY-UHFFFAOYSA-N 2 2 240.307 -1.762 20 0 BAADLP CN(CC[NH+]1CCOCC1)C(=O)COCC[NH3+] ZINC000645887187 387987212 /nfs/dbraw/zinc/98/72/12/387987212.db2.gz YSEGOPPXVOHIFD-UHFFFAOYSA-N 2 2 245.323 -1.248 20 0 BAADLP C[C@H]1COCC[N@H+]1CCNC(=O)COCC[NH3+] ZINC000645932756 388238775 /nfs/dbraw/zinc/23/87/75/388238775.db2.gz GGBZLORGVGEBKD-JTQLQIEISA-N 2 2 245.323 -1.201 20 0 BAADLP C[C@H]1COCC[N@@H+]1CCNC(=O)COCC[NH3+] ZINC000645932756 388238772 /nfs/dbraw/zinc/23/87/72/388238772.db2.gz GGBZLORGVGEBKD-JTQLQIEISA-N 2 2 245.323 -1.201 20 0 BAADLP C[C@@H]1COCC[N@H+]1CCNC(=O)COCC[NH3+] ZINC000645932757 388238713 /nfs/dbraw/zinc/23/87/13/388238713.db2.gz GGBZLORGVGEBKD-SNVBAGLBSA-N 2 2 245.323 -1.201 20 0 BAADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)COCC[NH3+] ZINC000645932757 388238710 /nfs/dbraw/zinc/23/87/10/388238710.db2.gz GGBZLORGVGEBKD-SNVBAGLBSA-N 2 2 245.323 -1.201 20 0 BAADLP CC[NH2+]CCCNC(=O)CN1CC[NH2+]CC1=O ZINC000646626415 388398393 /nfs/dbraw/zinc/39/83/93/388398393.db2.gz STAIUOMPDQETOF-UHFFFAOYSA-N 2 2 242.323 -1.466 20 0 BAADLP [NH3+][C@H]1CCN(C(=O)CN2CC[NH2+]CC2=O)C1 ZINC000646667834 388408784 /nfs/dbraw/zinc/40/87/84/388408784.db2.gz FRIFAROYGUROML-QMMMGPOBSA-N 2 2 226.280 -2.022 20 0 BAADLP CN(CCC[NH3+])C(=O)CN1CC[NH2+]CC1=O ZINC000646783067 388500534 /nfs/dbraw/zinc/50/05/34/388500534.db2.gz LRJXHOOQVJPGGC-UHFFFAOYSA-N 2 2 228.296 -1.775 20 0 BAADLP C[N@H+]1CCN(C(=O)COCC[NH3+])[C@H](C[NH3+])C1 ZINC000646833221 388563734 /nfs/dbraw/zinc/56/37/34/388563734.db2.gz RAPWLTXVQUBYEY-SECBINFHSA-N 3 2 230.312 -1.937 20 0 BAADLP C[N@@H+]1CCN(C(=O)COCC[NH3+])[C@H](C[NH3+])C1 ZINC000646833221 388563732 /nfs/dbraw/zinc/56/37/32/388563732.db2.gz RAPWLTXVQUBYEY-SECBINFHSA-N 3 2 230.312 -1.937 20 0 BAADLP C[N@H+]1CCN(C(=O)COCC[NH3+])[C@@H](C[NH3+])C1 ZINC000646833222 388563008 /nfs/dbraw/zinc/56/30/08/388563008.db2.gz RAPWLTXVQUBYEY-VIFPVBQESA-N 3 2 230.312 -1.937 20 0 BAADLP C[N@@H+]1CCN(C(=O)COCC[NH3+])[C@@H](C[NH3+])C1 ZINC000646833222 388563006 /nfs/dbraw/zinc/56/30/06/388563006.db2.gz RAPWLTXVQUBYEY-VIFPVBQESA-N 3 2 230.312 -1.937 20 0 BAADLP CO[C@@H](C[NH3+])CC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000646833227 388563390 /nfs/dbraw/zinc/56/33/90/388563390.db2.gz SVEKBKNXIXCHNL-NXEZZACHSA-N 3 2 244.339 -1.549 20 0 BAADLP CO[C@@H](C[NH3+])CC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000646833227 388563387 /nfs/dbraw/zinc/56/33/87/388563387.db2.gz SVEKBKNXIXCHNL-NXEZZACHSA-N 3 2 244.339 -1.549 20 0 BAADLP CO[C@H](C[NH3+])CC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000646833228 388563792 /nfs/dbraw/zinc/56/37/92/388563792.db2.gz SVEKBKNXIXCHNL-UWVGGRQHSA-N 3 2 244.339 -1.549 20 0 BAADLP CO[C@H](C[NH3+])CC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000646833228 388563790 /nfs/dbraw/zinc/56/37/90/388563790.db2.gz SVEKBKNXIXCHNL-UWVGGRQHSA-N 3 2 244.339 -1.549 20 0 BAADLP CO[C@@H](C[NH3+])CC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000646833229 388563295 /nfs/dbraw/zinc/56/32/95/388563295.db2.gz SVEKBKNXIXCHNL-VHSXEESVSA-N 3 2 244.339 -1.549 20 0 BAADLP CO[C@@H](C[NH3+])CC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000646833229 388563291 /nfs/dbraw/zinc/56/32/91/388563291.db2.gz SVEKBKNXIXCHNL-VHSXEESVSA-N 3 2 244.339 -1.549 20 0 BAADLP CO[C@H](C[NH3+])CC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000646833230 388563781 /nfs/dbraw/zinc/56/37/81/388563781.db2.gz SVEKBKNXIXCHNL-ZJUUUORDSA-N 3 2 244.339 -1.549 20 0 BAADLP CO[C@H](C[NH3+])CC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000646833230 388563779 /nfs/dbraw/zinc/56/37/79/388563779.db2.gz SVEKBKNXIXCHNL-ZJUUUORDSA-N 3 2 244.339 -1.549 20 0 BAADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NC[C@@H](C)[NH3+] ZINC000647020543 385149569 /nfs/dbraw/zinc/14/95/69/385149569.db2.gz DXSONDWNRNPMLA-SECBINFHSA-N 2 2 244.339 -1.094 20 0 BAADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NC[C@@H](C)[NH3+] ZINC000647020543 385149566 /nfs/dbraw/zinc/14/95/66/385149566.db2.gz DXSONDWNRNPMLA-SECBINFHSA-N 2 2 244.339 -1.094 20 0 BAADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NC[C@H](C)[NH3+] ZINC000647020544 385148288 /nfs/dbraw/zinc/14/82/88/385148288.db2.gz DXSONDWNRNPMLA-VIFPVBQESA-N 2 2 244.339 -1.094 20 0 BAADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NC[C@H](C)[NH3+] ZINC000647020544 385148281 /nfs/dbraw/zinc/14/82/81/385148281.db2.gz DXSONDWNRNPMLA-VIFPVBQESA-N 2 2 244.339 -1.094 20 0 BAADLP C[N@H+](CC(=O)N1CC[NH2+]CC1)C[C@@H]1CC[NH2+]C1 ZINC000647824114 385872131 /nfs/dbraw/zinc/87/21/31/385872131.db2.gz PQGHCUFYCONRKN-LLVKDONJSA-N 3 2 240.351 -1.041 20 0 BAADLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)C[C@@H]1CC[NH2+]C1 ZINC000647824114 385872127 /nfs/dbraw/zinc/87/21/27/385872127.db2.gz PQGHCUFYCONRKN-LLVKDONJSA-N 3 2 240.351 -1.041 20 0 BAADLP C[N@H+](CC(=O)N1CC[NH2+]CC1)C[C@H]1CC[NH2+]C1 ZINC000647824117 385872319 /nfs/dbraw/zinc/87/23/19/385872319.db2.gz PQGHCUFYCONRKN-NSHDSACASA-N 3 2 240.351 -1.041 20 0 BAADLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)C[C@H]1CC[NH2+]C1 ZINC000647824117 385872313 /nfs/dbraw/zinc/87/23/13/385872313.db2.gz PQGHCUFYCONRKN-NSHDSACASA-N 3 2 240.351 -1.041 20 0 BAADLP C[C@@H](NC(=O)C[N@@H+](C)CCC[NH3+])C(=O)N(C)C ZINC000647848045 385899201 /nfs/dbraw/zinc/89/92/01/385899201.db2.gz ASUODDNCRCCXRR-SECBINFHSA-N 2 2 244.339 -1.140 20 0 BAADLP C[C@@H](NC(=O)C[N@H+](C)CCC[NH3+])C(=O)N(C)C ZINC000647848045 385899196 /nfs/dbraw/zinc/89/91/96/385899196.db2.gz ASUODDNCRCCXRR-SECBINFHSA-N 2 2 244.339 -1.140 20 0 BAADLP C[C@H](NC(=O)C[N@@H+](C)CCC[NH3+])C(=O)N(C)C ZINC000647848046 385898730 /nfs/dbraw/zinc/89/87/30/385898730.db2.gz ASUODDNCRCCXRR-VIFPVBQESA-N 2 2 244.339 -1.140 20 0 BAADLP C[C@H](NC(=O)C[N@H+](C)CCC[NH3+])C(=O)N(C)C ZINC000647848046 385898726 /nfs/dbraw/zinc/89/87/26/385898726.db2.gz ASUODDNCRCCXRR-VIFPVBQESA-N 2 2 244.339 -1.140 20 0 BAADLP C[N@@H+](CCC[NH3+])CC(=O)N1CCNC(=O)C1 ZINC000647849601 385901471 /nfs/dbraw/zinc/90/14/71/385901471.db2.gz ZIPWKHICZOBCQX-UHFFFAOYSA-N 2 2 228.296 -1.775 20 0 BAADLP C[N@H+](CCC[NH3+])CC(=O)N1CCNC(=O)C1 ZINC000647849601 385901469 /nfs/dbraw/zinc/90/14/69/385901469.db2.gz ZIPWKHICZOBCQX-UHFFFAOYSA-N 2 2 228.296 -1.775 20 0 BAADLP CC(=O)N(C)CC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000647872620 386138525 /nfs/dbraw/zinc/13/85/25/386138525.db2.gz JHCSLDDHZBDXKC-JTQLQIEISA-N 2 2 242.323 -1.434 20 0 BAADLP CC(=O)N(C)CC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000647872620 386138521 /nfs/dbraw/zinc/13/85/21/386138521.db2.gz JHCSLDDHZBDXKC-JTQLQIEISA-N 2 2 242.323 -1.434 20 0 BAADLP CC(=O)N(C)CC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000647872621 386138190 /nfs/dbraw/zinc/13/81/90/386138190.db2.gz JHCSLDDHZBDXKC-SNVBAGLBSA-N 2 2 242.323 -1.434 20 0 BAADLP CC(=O)N(C)CC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000647872621 386138186 /nfs/dbraw/zinc/13/81/86/386138186.db2.gz JHCSLDDHZBDXKC-SNVBAGLBSA-N 2 2 242.323 -1.434 20 0 BAADLP C[N@H+]1CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)[C@@H](C[NH3+])C1 ZINC000647874237 386132788 /nfs/dbraw/zinc/13/27/88/386132788.db2.gz JTGIOIISXIFSEK-AEJSXWLSSA-N 3 2 226.324 -1.175 20 0 BAADLP C[N@@H+]1CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)[C@@H](C[NH3+])C1 ZINC000647874237 386132780 /nfs/dbraw/zinc/13/27/80/386132780.db2.gz JTGIOIISXIFSEK-AEJSXWLSSA-N 3 2 226.324 -1.175 20 0 BAADLP C[N@H+]1CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)[C@H](C[NH3+])C1 ZINC000647874238 386131525 /nfs/dbraw/zinc/13/15/25/386131525.db2.gz JTGIOIISXIFSEK-KXUCPTDWSA-N 3 2 226.324 -1.175 20 0 BAADLP C[N@@H+]1CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)[C@H](C[NH3+])C1 ZINC000647874238 386131521 /nfs/dbraw/zinc/13/15/21/386131521.db2.gz JTGIOIISXIFSEK-KXUCPTDWSA-N 3 2 226.324 -1.175 20 0 BAADLP C[N@@H+]1CCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)[C@@H](C[NH3+])C1 ZINC000647874461 386140769 /nfs/dbraw/zinc/14/07/69/386140769.db2.gz YJUPOAXXFXOQFZ-UKKRHICBSA-N 3 2 238.335 -1.447 20 0 BAADLP C[N@@H+]1CCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)[C@H](C[NH3+])C1 ZINC000647874462 386140739 /nfs/dbraw/zinc/14/07/39/386140739.db2.gz YJUPOAXXFXOQFZ-ZNSHCXBVSA-N 3 2 238.335 -1.447 20 0 BAADLP CN(C)C(=O)[C@H]1C[N@@H+](C[C@@H]2CC[NH2+]C2)CCN1 ZINC000647989918 386379496 /nfs/dbraw/zinc/37/94/96/386379496.db2.gz DXHYQUDDIRAKDW-GHMZBOCLSA-N 2 2 240.351 -1.042 20 0 BAADLP CN(C)C(=O)[C@H]1C[N@H+](C[C@@H]2CC[NH2+]C2)CCN1 ZINC000647989918 386379490 /nfs/dbraw/zinc/37/94/90/386379490.db2.gz DXHYQUDDIRAKDW-GHMZBOCLSA-N 2 2 240.351 -1.042 20 0 BAADLP CN(C)C(=O)[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+]C2)CCN1 ZINC000647989919 386380099 /nfs/dbraw/zinc/38/00/99/386380099.db2.gz DXHYQUDDIRAKDW-MNOVXSKESA-N 2 2 240.351 -1.042 20 0 BAADLP CN(C)C(=O)[C@@H]1C[N@H+](C[C@@H]2CC[NH2+]C2)CCN1 ZINC000647989919 386380095 /nfs/dbraw/zinc/38/00/95/386380095.db2.gz DXHYQUDDIRAKDW-MNOVXSKESA-N 2 2 240.351 -1.042 20 0 BAADLP CN(C)C(=O)[C@@H]1C[N@@H+](C[C@H]2CC[NH2+]C2)CCN1 ZINC000647989920 386379028 /nfs/dbraw/zinc/37/90/28/386379028.db2.gz DXHYQUDDIRAKDW-QWRGUYRKSA-N 2 2 240.351 -1.042 20 0 BAADLP CN(C)C(=O)[C@@H]1C[N@H+](C[C@H]2CC[NH2+]C2)CCN1 ZINC000647989920 386379023 /nfs/dbraw/zinc/37/90/23/386379023.db2.gz DXHYQUDDIRAKDW-QWRGUYRKSA-N 2 2 240.351 -1.042 20 0 BAADLP CN(C)C(=O)[C@H]1C[N@@H+](C[C@H]2CC[NH2+]C2)CCN1 ZINC000647989921 386378893 /nfs/dbraw/zinc/37/88/93/386378893.db2.gz DXHYQUDDIRAKDW-WDEREUQCSA-N 2 2 240.351 -1.042 20 0 BAADLP CN(C)C(=O)[C@H]1C[N@H+](C[C@H]2CC[NH2+]C2)CCN1 ZINC000647989921 386378889 /nfs/dbraw/zinc/37/88/89/386378889.db2.gz DXHYQUDDIRAKDW-WDEREUQCSA-N 2 2 240.351 -1.042 20 0 BAADLP C[N@@H+](CC[NH3+])CCC(=O)N1CC[NH2+]CC1 ZINC000647992506 386446554 /nfs/dbraw/zinc/44/65/54/386446554.db2.gz IJCONBMRIXVNFP-UHFFFAOYSA-N 3 2 214.313 -1.301 20 0 BAADLP C[N@H+](CC[NH3+])CCC(=O)N1CC[NH2+]CC1 ZINC000647992506 386446550 /nfs/dbraw/zinc/44/65/50/386446550.db2.gz IJCONBMRIXVNFP-UHFFFAOYSA-N 3 2 214.313 -1.301 20 0 BAADLP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CC[NH+](CCO)CC1 ZINC000648136167 384155532 /nfs/dbraw/zinc/15/55/32/384155532.db2.gz BGLHXKNGGBCPOY-URLYPYJESA-N 2 2 239.319 -1.412 20 0 BAADLP O=C([C@@H]1C[C@H]2C[C@H]2[NH2+]1)N1CC[NH+](CCO)CC1 ZINC000648136323 384155984 /nfs/dbraw/zinc/15/59/84/384155984.db2.gz YBKTWFCHEIKGFV-MXWKQRLJSA-N 2 2 239.319 -1.127 20 0 BAADLP C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000648151920 385283107 /nfs/dbraw/zinc/28/31/07/385283107.db2.gz ZDCQGNCXGAKGKV-UKKRHICBSA-N 2 2 239.319 -1.101 20 0 BAADLP C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000648151920 385283101 /nfs/dbraw/zinc/28/31/01/385283101.db2.gz ZDCQGNCXGAKGKV-UKKRHICBSA-N 2 2 239.319 -1.101 20 0 BAADLP C[N@H+]1CCO[C@H](CNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000648151921 385282761 /nfs/dbraw/zinc/28/27/61/385282761.db2.gz ZDCQGNCXGAKGKV-ZNSHCXBVSA-N 2 2 239.319 -1.101 20 0 BAADLP C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000648151921 385282755 /nfs/dbraw/zinc/28/27/55/385282755.db2.gz ZDCQGNCXGAKGKV-ZNSHCXBVSA-N 2 2 239.319 -1.101 20 0 BAADLP O=C(NCC[NH+]1CCOCC1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649276363 388496106 /nfs/dbraw/zinc/49/61/06/388496106.db2.gz RHNZIKKJIVDCRE-URLYPYJESA-N 2 2 239.319 -1.100 20 0 BAADLP COCC[NH+]1CCN(C(=O)COCC[NH3+])CC1 ZINC000649283459 388529500 /nfs/dbraw/zinc/52/95/00/388529500.db2.gz CCOXRACHRIJEHH-UHFFFAOYSA-N 2 2 245.323 -1.248 20 0 BAADLP C[C@H]1C[N@@H+](CCNC(=O)COCC[NH3+])CCO1 ZINC000649312315 388599681 /nfs/dbraw/zinc/59/96/81/388599681.db2.gz GPZHQIJTVGRTED-JTQLQIEISA-N 2 2 245.323 -1.201 20 0 BAADLP C[C@H]1C[N@H+](CCNC(=O)COCC[NH3+])CCO1 ZINC000649312315 388599679 /nfs/dbraw/zinc/59/96/79/388599679.db2.gz GPZHQIJTVGRTED-JTQLQIEISA-N 2 2 245.323 -1.201 20 0 BAADLP C[C@@H]1C[N@@H+](CCNC(=O)COCC[NH3+])CCO1 ZINC000649312316 388599971 /nfs/dbraw/zinc/59/99/71/388599971.db2.gz GPZHQIJTVGRTED-SNVBAGLBSA-N 2 2 245.323 -1.201 20 0 BAADLP C[C@@H]1C[N@H+](CCNC(=O)COCC[NH3+])CCO1 ZINC000649312316 388599969 /nfs/dbraw/zinc/59/99/69/388599969.db2.gz GPZHQIJTVGRTED-SNVBAGLBSA-N 2 2 245.323 -1.201 20 0 BAADLP C[NH+](C)CCN1CC[N@@H+](CCO)CC1=O ZINC000649687606 398036501 /nfs/dbraw/zinc/03/65/01/398036501.db2.gz YALGMIKJAMMDCC-UHFFFAOYSA-N 2 2 215.297 -1.316 20 0 BAADLP C[NH+](C)CCN1CC[N@H+](CCO)CC1=O ZINC000649687606 398036497 /nfs/dbraw/zinc/03/64/97/398036497.db2.gz YALGMIKJAMMDCC-UHFFFAOYSA-N 2 2 215.297 -1.316 20 0 BAADLP C[NH+](C)CC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000652889363 411261141 /nfs/dbraw/zinc/26/11/41/411261141.db2.gz QACWPXDOHAIKTJ-SNVBAGLBSA-N 2 2 227.308 -1.175 20 0 BAADLP C[NH+](C)CC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000652889363 411261139 /nfs/dbraw/zinc/26/11/39/411261139.db2.gz QACWPXDOHAIKTJ-SNVBAGLBSA-N 2 2 227.308 -1.175 20 0 BAADLP C[C@@H]1C(=O)NCCN1C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653082565 409603332 /nfs/dbraw/zinc/60/33/32/409603332.db2.gz ZIOBJAZKFINYHW-BDAKNGLRSA-N 2 2 242.323 -1.388 20 0 BAADLP C[C@H]1C(=O)NCCN1C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653082566 409602949 /nfs/dbraw/zinc/60/29/49/409602949.db2.gz ZIOBJAZKFINYHW-DTWKUNHWSA-N 2 2 242.323 -1.388 20 0 BAADLP C[C@H]1C(=O)NCCN1C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653082567 409604513 /nfs/dbraw/zinc/60/45/13/409604513.db2.gz ZIOBJAZKFINYHW-IUCAKERBSA-N 2 2 242.323 -1.388 20 0 BAADLP C[C@@H]1C(=O)NCCN1C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653082568 409602310 /nfs/dbraw/zinc/60/23/10/409602310.db2.gz ZIOBJAZKFINYHW-RKDXNWHRSA-N 2 2 242.323 -1.388 20 0 BAADLP CN1CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CC1=O ZINC000653092021 409676223 /nfs/dbraw/zinc/67/62/23/409676223.db2.gz PKONEWFKAZIZDD-SECBINFHSA-N 2 2 242.323 -1.434 20 0 BAADLP CN1CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CC1=O ZINC000653092022 409676854 /nfs/dbraw/zinc/67/68/54/409676854.db2.gz PKONEWFKAZIZDD-VIFPVBQESA-N 2 2 242.323 -1.434 20 0 BAADLP COCCOCC[NH+]1CCN(C(=O)C[NH3+])CC1 ZINC000653275767 410563909 /nfs/dbraw/zinc/56/39/09/410563909.db2.gz NBYIBOOZMWQLTH-UHFFFAOYSA-N 2 2 245.323 -1.248 20 0 BAADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000653562665 411422485 /nfs/dbraw/zinc/42/24/85/411422485.db2.gz DMVOTBBVYQRGJA-AXFHLTTASA-N 2 2 232.324 -1.274 20 0 BAADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000653562665 411422481 /nfs/dbraw/zinc/42/24/81/411422481.db2.gz DMVOTBBVYQRGJA-AXFHLTTASA-N 2 2 232.324 -1.274 20 0 BAADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](O)C[C@H](O)C1 ZINC000653562665 411422478 /nfs/dbraw/zinc/42/24/78/411422478.db2.gz DMVOTBBVYQRGJA-AXFHLTTASA-N 2 2 232.324 -1.274 20 0 BAADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](O)C[C@H](O)C1 ZINC000653562665 411422473 /nfs/dbraw/zinc/42/24/73/411422473.db2.gz DMVOTBBVYQRGJA-AXFHLTTASA-N 2 2 232.324 -1.274 20 0 BAADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000653562666 411422622 /nfs/dbraw/zinc/42/26/22/411422622.db2.gz DMVOTBBVYQRGJA-OUAUKWLOSA-N 2 2 232.324 -1.274 20 0 BAADLP CC[NH+](C)C[C@@H](O)C[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000653562666 411422621 /nfs/dbraw/zinc/42/26/21/411422621.db2.gz DMVOTBBVYQRGJA-OUAUKWLOSA-N 2 2 232.324 -1.274 20 0 BAADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@H](O)C[C@H](O)C1 ZINC000653562666 411422620 /nfs/dbraw/zinc/42/26/20/411422620.db2.gz DMVOTBBVYQRGJA-OUAUKWLOSA-N 2 2 232.324 -1.274 20 0 BAADLP CC[N@H+](C)C[C@@H](O)C[NH+]1C[C@H](O)C[C@H](O)C1 ZINC000653562666 411422619 /nfs/dbraw/zinc/42/26/19/411422619.db2.gz DMVOTBBVYQRGJA-OUAUKWLOSA-N 2 2 232.324 -1.274 20 0 BAADLP CC[NH+](C)C[C@@H](O)C[N@H+]1C[C@H](O)C[C@H]1CO ZINC000653619212 411440499 /nfs/dbraw/zinc/44/04/99/411440499.db2.gz RCMHMRIHNXECMF-HBNTYKKESA-N 2 2 232.324 -1.274 20 0 BAADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000653619212 411440497 /nfs/dbraw/zinc/44/04/97/411440497.db2.gz RCMHMRIHNXECMF-HBNTYKKESA-N 2 2 232.324 -1.274 20 0 BAADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@H](O)C[C@H]1CO ZINC000653619212 411440496 /nfs/dbraw/zinc/44/04/96/411440496.db2.gz RCMHMRIHNXECMF-HBNTYKKESA-N 2 2 232.324 -1.274 20 0 BAADLP CC[N@H+](C)C[C@@H](O)C[NH+]1C[C@H](O)C[C@H]1CO ZINC000653619212 411440495 /nfs/dbraw/zinc/44/04/95/411440495.db2.gz RCMHMRIHNXECMF-HBNTYKKESA-N 2 2 232.324 -1.274 20 0 BAADLP C[NH+](C)CCC[N@@H+](C)CCNS(N)(=O)=O ZINC000657092212 411403161 /nfs/dbraw/zinc/40/31/61/411403161.db2.gz IHNIXNPNBJZYCN-UHFFFAOYSA-N 2 2 238.357 -1.337 20 0 BAADLP C[NH+](C)CCC[N@H+](C)CCNS(N)(=O)=O ZINC000657092212 411403158 /nfs/dbraw/zinc/40/31/58/411403158.db2.gz IHNIXNPNBJZYCN-UHFFFAOYSA-N 2 2 238.357 -1.337 20 0 BAADLP C[NH2+]C[C@@H](C)NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000659643132 411289386 /nfs/dbraw/zinc/28/93/86/411289386.db2.gz NZKRUUNAOAJVLW-NXEZZACHSA-N 3 2 243.355 -1.121 20 0 BAADLP C[NH2+]C[C@@H](C)NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000659643132 411289384 /nfs/dbraw/zinc/28/93/84/411289384.db2.gz NZKRUUNAOAJVLW-NXEZZACHSA-N 3 2 243.355 -1.121 20 0 BAADLP C[NH2+]C[C@H](C)NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000659643133 411289443 /nfs/dbraw/zinc/28/94/43/411289443.db2.gz NZKRUUNAOAJVLW-UWVGGRQHSA-N 3 2 243.355 -1.121 20 0 BAADLP C[NH2+]C[C@H](C)NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000659643133 411289442 /nfs/dbraw/zinc/28/94/42/411289442.db2.gz NZKRUUNAOAJVLW-UWVGGRQHSA-N 3 2 243.355 -1.121 20 0 BAADLP C[NH2+]C[C@H](C)NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000659643134 411288966 /nfs/dbraw/zinc/28/89/66/411288966.db2.gz NZKRUUNAOAJVLW-VHSXEESVSA-N 3 2 243.355 -1.121 20 0 BAADLP C[NH2+]C[C@H](C)NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000659643134 411288965 /nfs/dbraw/zinc/28/89/65/411288965.db2.gz NZKRUUNAOAJVLW-VHSXEESVSA-N 3 2 243.355 -1.121 20 0 BAADLP C[NH2+]C[C@@H](C)NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000659643135 411289408 /nfs/dbraw/zinc/28/94/08/411289408.db2.gz NZKRUUNAOAJVLW-ZJUUUORDSA-N 3 2 243.355 -1.121 20 0 BAADLP C[NH2+]C[C@@H](C)NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000659643135 411289406 /nfs/dbraw/zinc/28/94/06/411289406.db2.gz NZKRUUNAOAJVLW-ZJUUUORDSA-N 3 2 243.355 -1.121 20 0 BAADLP C[N@@H+](CCN1CC[NH2+]CC1)C[C@H]1C[NH2+]CCO1 ZINC000662245516 412041801 /nfs/dbraw/zinc/04/18/01/412041801.db2.gz KJQIVGCSFXVCPI-GFCCVEGCSA-N 3 2 242.367 -1.188 20 0 BAADLP C[N@H+](CCN1CC[NH2+]CC1)C[C@H]1C[NH2+]CCO1 ZINC000662245516 412041799 /nfs/dbraw/zinc/04/17/99/412041799.db2.gz KJQIVGCSFXVCPI-GFCCVEGCSA-N 3 2 242.367 -1.188 20 0 BAADLP C[N@@H+](CCN1CC[NH2+]CC1)C[C@@H]1C[NH2+]CCO1 ZINC000662245524 412041669 /nfs/dbraw/zinc/04/16/69/412041669.db2.gz KJQIVGCSFXVCPI-LBPRGKRZSA-N 3 2 242.367 -1.188 20 0 BAADLP C[N@H+](CCN1CC[NH2+]CC1)C[C@@H]1C[NH2+]CCO1 ZINC000662245524 412041665 /nfs/dbraw/zinc/04/16/65/412041665.db2.gz KJQIVGCSFXVCPI-LBPRGKRZSA-N 3 2 242.367 -1.188 20 0 BAADLP O=C1C[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CCN1 ZINC000662249258 412045951 /nfs/dbraw/zinc/04/59/51/412045951.db2.gz LBJHHZTWFFQSJA-SECBINFHSA-N 2 2 225.292 -1.061 20 0 BAADLP O=C1C[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CCN1 ZINC000662249258 412045946 /nfs/dbraw/zinc/04/59/46/412045946.db2.gz LBJHHZTWFFQSJA-SECBINFHSA-N 2 2 225.292 -1.061 20 0 BAADLP O=C1C[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CCN1 ZINC000662249259 412047781 /nfs/dbraw/zinc/04/77/81/412047781.db2.gz LBJHHZTWFFQSJA-VIFPVBQESA-N 2 2 225.292 -1.061 20 0 BAADLP O=C1C[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CCN1 ZINC000662249259 412047779 /nfs/dbraw/zinc/04/77/79/412047779.db2.gz LBJHHZTWFFQSJA-VIFPVBQESA-N 2 2 225.292 -1.061 20 0 BAADLP CCN1CC[C@H]([N@@H+](C)C[C@H](O)C[NH3+])C1=O ZINC000662276298 412069547 /nfs/dbraw/zinc/06/95/47/412069547.db2.gz IXFJCWZUZGOYSN-BDAKNGLRSA-N 2 2 215.297 -1.141 20 0 BAADLP CCN1CC[C@H]([N@H+](C)C[C@H](O)C[NH3+])C1=O ZINC000662276298 412069544 /nfs/dbraw/zinc/06/95/44/412069544.db2.gz IXFJCWZUZGOYSN-BDAKNGLRSA-N 2 2 215.297 -1.141 20 0 BAADLP CCN1CC[C@@H]([N@@H+](C)C[C@@H](O)C[NH3+])C1=O ZINC000662276299 412070088 /nfs/dbraw/zinc/07/00/88/412070088.db2.gz IXFJCWZUZGOYSN-DTWKUNHWSA-N 2 2 215.297 -1.141 20 0 BAADLP CCN1CC[C@@H]([N@H+](C)C[C@@H](O)C[NH3+])C1=O ZINC000662276299 412070083 /nfs/dbraw/zinc/07/00/83/412070083.db2.gz IXFJCWZUZGOYSN-DTWKUNHWSA-N 2 2 215.297 -1.141 20 0 BAADLP CCN1CC[C@H]([N@@H+](C)C[C@@H](O)C[NH3+])C1=O ZINC000662276300 412069008 /nfs/dbraw/zinc/06/90/08/412069008.db2.gz IXFJCWZUZGOYSN-IUCAKERBSA-N 2 2 215.297 -1.141 20 0 BAADLP CCN1CC[C@H]([N@H+](C)C[C@@H](O)C[NH3+])C1=O ZINC000662276300 412069005 /nfs/dbraw/zinc/06/90/05/412069005.db2.gz IXFJCWZUZGOYSN-IUCAKERBSA-N 2 2 215.297 -1.141 20 0 BAADLP CCN1CC[C@@H]([N@@H+](C)C[C@H](O)C[NH3+])C1=O ZINC000662276301 412069663 /nfs/dbraw/zinc/06/96/63/412069663.db2.gz IXFJCWZUZGOYSN-RKDXNWHRSA-N 2 2 215.297 -1.141 20 0 BAADLP CCN1CC[C@@H]([N@H+](C)C[C@H](O)C[NH3+])C1=O ZINC000662276301 412069661 /nfs/dbraw/zinc/06/96/61/412069661.db2.gz IXFJCWZUZGOYSN-RKDXNWHRSA-N 2 2 215.297 -1.141 20 0 BAADLP CN1CCC[C@H]([N@@H+](C)C[C@H](O)C[NH3+])C1=O ZINC000662278535 409597837 /nfs/dbraw/zinc/59/78/37/409597837.db2.gz ZDEDTGMFKDEDSM-BDAKNGLRSA-N 2 2 215.297 -1.141 20 0 BAADLP CN1CCC[C@H]([N@H+](C)C[C@H](O)C[NH3+])C1=O ZINC000662278535 409597827 /nfs/dbraw/zinc/59/78/27/409597827.db2.gz ZDEDTGMFKDEDSM-BDAKNGLRSA-N 2 2 215.297 -1.141 20 0 BAADLP CN1CCC[C@@H]([N@@H+](C)C[C@@H](O)C[NH3+])C1=O ZINC000662278540 409596608 /nfs/dbraw/zinc/59/66/08/409596608.db2.gz ZDEDTGMFKDEDSM-DTWKUNHWSA-N 2 2 215.297 -1.141 20 0 BAADLP CN1CCC[C@@H]([N@H+](C)C[C@@H](O)C[NH3+])C1=O ZINC000662278540 409596602 /nfs/dbraw/zinc/59/66/02/409596602.db2.gz ZDEDTGMFKDEDSM-DTWKUNHWSA-N 2 2 215.297 -1.141 20 0 BAADLP CN1CCC[C@H]([N@@H+](C)C[C@@H](O)C[NH3+])C1=O ZINC000662278545 409597408 /nfs/dbraw/zinc/59/74/08/409597408.db2.gz ZDEDTGMFKDEDSM-IUCAKERBSA-N 2 2 215.297 -1.141 20 0 BAADLP CN1CCC[C@H]([N@H+](C)C[C@@H](O)C[NH3+])C1=O ZINC000662278545 409597402 /nfs/dbraw/zinc/59/74/02/409597402.db2.gz ZDEDTGMFKDEDSM-IUCAKERBSA-N 2 2 215.297 -1.141 20 0 BAADLP CN1CCC[C@@H]([N@@H+](C)C[C@H](O)C[NH3+])C1=O ZINC000662278546 409596020 /nfs/dbraw/zinc/59/60/20/409596020.db2.gz ZDEDTGMFKDEDSM-RKDXNWHRSA-N 2 2 215.297 -1.141 20 0 BAADLP CN1CCC[C@@H]([N@H+](C)C[C@H](O)C[NH3+])C1=O ZINC000662278546 409596010 /nfs/dbraw/zinc/59/60/10/409596010.db2.gz ZDEDTGMFKDEDSM-RKDXNWHRSA-N 2 2 215.297 -1.141 20 0 BAADLP COC[C@@H](C[N@@H+](CC[NH3+])C[C@@H](O)CO)OC ZINC000662285907 412077014 /nfs/dbraw/zinc/07/70/14/412077014.db2.gz MMKQGFFSPXUTMB-NXEZZACHSA-N 2 2 236.312 -1.738 20 0 BAADLP COC[C@@H](C[N@H+](CC[NH3+])C[C@@H](O)CO)OC ZINC000662285907 412077011 /nfs/dbraw/zinc/07/70/11/412077011.db2.gz MMKQGFFSPXUTMB-NXEZZACHSA-N 2 2 236.312 -1.738 20 0 BAADLP COC[C@H](C[N@@H+](CC[NH3+])C[C@H](O)CO)OC ZINC000662285908 412077205 /nfs/dbraw/zinc/07/72/05/412077205.db2.gz MMKQGFFSPXUTMB-UWVGGRQHSA-N 2 2 236.312 -1.738 20 0 BAADLP COC[C@H](C[N@H+](CC[NH3+])C[C@H](O)CO)OC ZINC000662285908 412077202 /nfs/dbraw/zinc/07/72/02/412077202.db2.gz MMKQGFFSPXUTMB-UWVGGRQHSA-N 2 2 236.312 -1.738 20 0 BAADLP COC[C@@H](C[N@@H+](CC[NH3+])C[C@H](O)CO)OC ZINC000662285910 412077686 /nfs/dbraw/zinc/07/76/86/412077686.db2.gz MMKQGFFSPXUTMB-VHSXEESVSA-N 2 2 236.312 -1.738 20 0 BAADLP COC[C@@H](C[N@H+](CC[NH3+])C[C@H](O)CO)OC ZINC000662285910 412077682 /nfs/dbraw/zinc/07/76/82/412077682.db2.gz MMKQGFFSPXUTMB-VHSXEESVSA-N 2 2 236.312 -1.738 20 0 BAADLP COC[C@H](C[N@@H+](CC[NH3+])C[C@@H](O)CO)OC ZINC000662285914 412051338 /nfs/dbraw/zinc/05/13/38/412051338.db2.gz MMKQGFFSPXUTMB-ZJUUUORDSA-N 2 2 236.312 -1.738 20 0 BAADLP COC[C@H](C[N@H+](CC[NH3+])C[C@@H](O)CO)OC ZINC000662285914 412051337 /nfs/dbraw/zinc/05/13/37/412051337.db2.gz MMKQGFFSPXUTMB-ZJUUUORDSA-N 2 2 236.312 -1.738 20 0 BAADLP [NH3+]CCN(CC[NH+]1CCOCC1)C[C@@H](O)CO ZINC000662287437 487538382 /nfs/dbraw/zinc/53/83/82/487538382.db2.gz AABMWQYMQOTULB-LLVKDONJSA-N 2 2 247.339 -2.068 20 0 BAADLP [NH3+]CCN(CC[NH+]1CCOCC1)C[C@H](O)CO ZINC000662287438 487538034 /nfs/dbraw/zinc/53/80/34/487538034.db2.gz AABMWQYMQOTULB-NSHDSACASA-N 2 2 247.339 -2.068 20 0 BAADLP [NH3+]CC[N@@H+](CC[C@H]1CCC[NH2+]C1)C[C@H](O)CO ZINC000662287439 487537639 /nfs/dbraw/zinc/53/76/39/487537639.db2.gz ADAMNQKZKDTYDN-NEPJUHHUSA-N 3 2 245.367 -1.010 20 0 BAADLP [NH3+]CC[N@H+](CC[C@H]1CCC[NH2+]C1)C[C@H](O)CO ZINC000662287439 487537635 /nfs/dbraw/zinc/53/76/35/487537635.db2.gz ADAMNQKZKDTYDN-NEPJUHHUSA-N 3 2 245.367 -1.010 20 0 BAADLP [NH3+]CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)C[C@@H](O)CO ZINC000662287440 487537439 /nfs/dbraw/zinc/53/74/39/487537439.db2.gz ADAMNQKZKDTYDN-NWDGAFQWSA-N 3 2 245.367 -1.010 20 0 BAADLP [NH3+]CC[N@H+](CC[C@@H]1CCC[NH2+]C1)C[C@@H](O)CO ZINC000662287440 487537437 /nfs/dbraw/zinc/53/74/37/487537437.db2.gz ADAMNQKZKDTYDN-NWDGAFQWSA-N 3 2 245.367 -1.010 20 0 BAADLP [NH3+]CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)C[C@H](O)CO ZINC000662287441 487537412 /nfs/dbraw/zinc/53/74/12/487537412.db2.gz ADAMNQKZKDTYDN-RYUDHWBXSA-N 3 2 245.367 -1.010 20 0 BAADLP [NH3+]CC[N@H+](CC[C@@H]1CCC[NH2+]C1)C[C@H](O)CO ZINC000662287441 487537407 /nfs/dbraw/zinc/53/74/07/487537407.db2.gz ADAMNQKZKDTYDN-RYUDHWBXSA-N 3 2 245.367 -1.010 20 0 BAADLP [NH3+]CC[N@@H+](CC[C@H]1CCC[NH2+]C1)C[C@@H](O)CO ZINC000662287442 487538365 /nfs/dbraw/zinc/53/83/65/487538365.db2.gz ADAMNQKZKDTYDN-VXGBXAGGSA-N 3 2 245.367 -1.010 20 0 BAADLP [NH3+]CC[N@H+](CC[C@H]1CCC[NH2+]C1)C[C@@H](O)CO ZINC000662287442 487538357 /nfs/dbraw/zinc/53/83/57/487538357.db2.gz ADAMNQKZKDTYDN-VXGBXAGGSA-N 3 2 245.367 -1.010 20 0 BAADLP [NH3+]CC[N@@H+](C[C@@H](O)CO)C[C@H]1CCOC1 ZINC000662287577 412079986 /nfs/dbraw/zinc/07/99/86/412079986.db2.gz CXNDNSUGFWVXDE-NXEZZACHSA-N 2 2 218.297 -1.363 20 0 BAADLP [NH3+]CC[N@H+](C[C@@H](O)CO)C[C@H]1CCOC1 ZINC000662287577 412079983 /nfs/dbraw/zinc/07/99/83/412079983.db2.gz CXNDNSUGFWVXDE-NXEZZACHSA-N 2 2 218.297 -1.363 20 0 BAADLP [NH3+]CC[N@@H+](C[C@H](O)CO)C[C@@H]1CCOC1 ZINC000662287578 412080245 /nfs/dbraw/zinc/08/02/45/412080245.db2.gz CXNDNSUGFWVXDE-UWVGGRQHSA-N 2 2 218.297 -1.363 20 0 BAADLP [NH3+]CC[N@H+](C[C@H](O)CO)C[C@@H]1CCOC1 ZINC000662287578 412080243 /nfs/dbraw/zinc/08/02/43/412080243.db2.gz CXNDNSUGFWVXDE-UWVGGRQHSA-N 2 2 218.297 -1.363 20 0 BAADLP [NH3+]CC[N@@H+](C[C@@H](O)CO)C[C@@H]1CCOC1 ZINC000662287579 412079196 /nfs/dbraw/zinc/07/91/96/412079196.db2.gz CXNDNSUGFWVXDE-VHSXEESVSA-N 2 2 218.297 -1.363 20 0 BAADLP [NH3+]CC[N@H+](C[C@@H](O)CO)C[C@@H]1CCOC1 ZINC000662287579 412079191 /nfs/dbraw/zinc/07/91/91/412079191.db2.gz CXNDNSUGFWVXDE-VHSXEESVSA-N 2 2 218.297 -1.363 20 0 BAADLP [NH3+]CC[N@@H+](C[C@H](O)CO)C[C@H]1CCOC1 ZINC000662287580 412079031 /nfs/dbraw/zinc/07/90/31/412079031.db2.gz CXNDNSUGFWVXDE-ZJUUUORDSA-N 2 2 218.297 -1.363 20 0 BAADLP [NH3+]CC[N@H+](C[C@H](O)CO)C[C@H]1CCOC1 ZINC000662287580 412079026 /nfs/dbraw/zinc/07/90/26/412079026.db2.gz CXNDNSUGFWVXDE-ZJUUUORDSA-N 2 2 218.297 -1.363 20 0 BAADLP Nc1cc(CN(CC[NH3+])C[C@H](O)CO)cc[nH+]1 ZINC000662287585 412080309 /nfs/dbraw/zinc/08/03/09/412080309.db2.gz CZWZMOQZKXABCW-JTQLQIEISA-N 2 2 240.307 -1.222 20 0 BAADLP Nc1cc(CN(CC[NH3+])C[C@@H](O)CO)cc[nH+]1 ZINC000662287586 412079569 /nfs/dbraw/zinc/07/95/69/412079569.db2.gz CZWZMOQZKXABCW-SNVBAGLBSA-N 2 2 240.307 -1.222 20 0 BAADLP CN(C)C(=O)CC[N@@H+](CC[NH3+])C[C@@H](O)CO ZINC000662287593 409618669 /nfs/dbraw/zinc/61/86/69/409618669.db2.gz DQEORBWFUXHPFF-SECBINFHSA-N 2 2 233.312 -1.921 20 0 BAADLP CN(C)C(=O)CC[N@H+](CC[NH3+])C[C@@H](O)CO ZINC000662287593 409618665 /nfs/dbraw/zinc/61/86/65/409618665.db2.gz DQEORBWFUXHPFF-SECBINFHSA-N 2 2 233.312 -1.921 20 0 BAADLP CN(C)C(=O)CC[N@@H+](CC[NH3+])C[C@H](O)CO ZINC000662287594 409619676 /nfs/dbraw/zinc/61/96/76/409619676.db2.gz DQEORBWFUXHPFF-VIFPVBQESA-N 2 2 233.312 -1.921 20 0 BAADLP CN(C)C(=O)CC[N@H+](CC[NH3+])C[C@H](O)CO ZINC000662287594 409619664 /nfs/dbraw/zinc/61/96/64/409619664.db2.gz DQEORBWFUXHPFF-VIFPVBQESA-N 2 2 233.312 -1.921 20 0 BAADLP [NH3+]CC[N@@H+](CC[C@H]1CC[NH2+]C1)C[C@@H](O)CO ZINC000662287605 412080230 /nfs/dbraw/zinc/08/02/30/412080230.db2.gz DXVVYTYYTFHBIO-GHMZBOCLSA-N 3 2 231.340 -1.400 20 0 BAADLP [NH3+]CC[N@H+](CC[C@H]1CC[NH2+]C1)C[C@@H](O)CO ZINC000662287605 412080228 /nfs/dbraw/zinc/08/02/28/412080228.db2.gz DXVVYTYYTFHBIO-GHMZBOCLSA-N 3 2 231.340 -1.400 20 0 BAADLP [NH3+]CC[N@@H+](CC[C@H]1CC[NH2+]C1)C[C@H](O)CO ZINC000662287606 412080453 /nfs/dbraw/zinc/08/04/53/412080453.db2.gz DXVVYTYYTFHBIO-MNOVXSKESA-N 3 2 231.340 -1.400 20 0 BAADLP [NH3+]CC[N@H+](CC[C@H]1CC[NH2+]C1)C[C@H](O)CO ZINC000662287606 412080451 /nfs/dbraw/zinc/08/04/51/412080451.db2.gz DXVVYTYYTFHBIO-MNOVXSKESA-N 3 2 231.340 -1.400 20 0 BAADLP [NH3+]CC[N@@H+](CC[C@@H]1CC[NH2+]C1)C[C@H](O)CO ZINC000662287607 412079055 /nfs/dbraw/zinc/07/90/55/412079055.db2.gz DXVVYTYYTFHBIO-QWRGUYRKSA-N 3 2 231.340 -1.400 20 0 BAADLP [NH3+]CC[N@H+](CC[C@@H]1CC[NH2+]C1)C[C@H](O)CO ZINC000662287607 412079054 /nfs/dbraw/zinc/07/90/54/412079054.db2.gz DXVVYTYYTFHBIO-QWRGUYRKSA-N 3 2 231.340 -1.400 20 0 BAADLP [NH3+]CC[N@@H+](CC[C@@H]1CC[NH2+]C1)C[C@@H](O)CO ZINC000662287608 412079077 /nfs/dbraw/zinc/07/90/77/412079077.db2.gz DXVVYTYYTFHBIO-WDEREUQCSA-N 3 2 231.340 -1.400 20 0 BAADLP [NH3+]CC[N@H+](CC[C@@H]1CC[NH2+]C1)C[C@@H](O)CO ZINC000662287608 412079076 /nfs/dbraw/zinc/07/90/76/412079076.db2.gz DXVVYTYYTFHBIO-WDEREUQCSA-N 3 2 231.340 -1.400 20 0 BAADLP CCN(C)C(=O)CC[N@@H+](CC[NH3+])C[C@H](O)CO ZINC000662287783 409619229 /nfs/dbraw/zinc/61/92/29/409619229.db2.gz JCIXMMWAPCHEKW-JTQLQIEISA-N 2 2 247.339 -1.531 20 0 BAADLP CCN(C)C(=O)CC[N@H+](CC[NH3+])C[C@H](O)CO ZINC000662287783 409619226 /nfs/dbraw/zinc/61/92/26/409619226.db2.gz JCIXMMWAPCHEKW-JTQLQIEISA-N 2 2 247.339 -1.531 20 0 BAADLP CCN(C)C(=O)CC[N@@H+](CC[NH3+])C[C@@H](O)CO ZINC000662287784 409619462 /nfs/dbraw/zinc/61/94/62/409619462.db2.gz JCIXMMWAPCHEKW-SNVBAGLBSA-N 2 2 247.339 -1.531 20 0 BAADLP CCN(C)C(=O)CC[N@H+](CC[NH3+])C[C@@H](O)CO ZINC000662287784 409619459 /nfs/dbraw/zinc/61/94/59/409619459.db2.gz JCIXMMWAPCHEKW-SNVBAGLBSA-N 2 2 247.339 -1.531 20 0 BAADLP Cn1cc(CC[N@@H+](CC[NH3+])C[C@@H](O)CO)cn1 ZINC000662288254 412079130 /nfs/dbraw/zinc/07/91/30/412079130.db2.gz NAUFPFSMAODWQI-LLVKDONJSA-N 2 2 242.323 -1.424 20 0 BAADLP Cn1cc(CC[N@H+](CC[NH3+])C[C@@H](O)CO)cn1 ZINC000662288254 412079128 /nfs/dbraw/zinc/07/91/28/412079128.db2.gz NAUFPFSMAODWQI-LLVKDONJSA-N 2 2 242.323 -1.424 20 0 BAADLP Cn1cc(CC[N@@H+](CC[NH3+])C[C@H](O)CO)cn1 ZINC000662288255 412079017 /nfs/dbraw/zinc/07/90/17/412079017.db2.gz NAUFPFSMAODWQI-NSHDSACASA-N 2 2 242.323 -1.424 20 0 BAADLP Cn1cc(CC[N@H+](CC[NH3+])C[C@H](O)CO)cn1 ZINC000662288255 412079013 /nfs/dbraw/zinc/07/90/13/412079013.db2.gz NAUFPFSMAODWQI-NSHDSACASA-N 2 2 242.323 -1.424 20 0 BAADLP [NH3+]CC[N@@H+](CCC1CC[NH2+]CC1)C[C@@H](O)CO ZINC000662288294 412079047 /nfs/dbraw/zinc/07/90/47/412079047.db2.gz NTRNGUBAVLNCFA-GFCCVEGCSA-N 3 2 245.367 -1.010 20 0 BAADLP [NH3+]CC[N@H+](CCC1CC[NH2+]CC1)C[C@@H](O)CO ZINC000662288294 412079045 /nfs/dbraw/zinc/07/90/45/412079045.db2.gz NTRNGUBAVLNCFA-GFCCVEGCSA-N 3 2 245.367 -1.010 20 0 BAADLP [NH3+]CC[N@@H+](CCC1CC[NH2+]CC1)C[C@H](O)CO ZINC000662288295 412080299 /nfs/dbraw/zinc/08/02/99/412080299.db2.gz NTRNGUBAVLNCFA-LBPRGKRZSA-N 3 2 245.367 -1.010 20 0 BAADLP [NH3+]CC[N@H+](CCC1CC[NH2+]CC1)C[C@H](O)CO ZINC000662288295 412080297 /nfs/dbraw/zinc/08/02/97/412080297.db2.gz NTRNGUBAVLNCFA-LBPRGKRZSA-N 3 2 245.367 -1.010 20 0 BAADLP COCCC[N@@H+](CC[NH3+])C[C@@H](O)CO ZINC000662288611 487627740 /nfs/dbraw/zinc/62/77/40/487627740.db2.gz RCCSYTFINAPPHR-SECBINFHSA-N 2 2 206.286 -1.363 20 0 BAADLP COCCC[N@H+](CC[NH3+])C[C@@H](O)CO ZINC000662288611 487627732 /nfs/dbraw/zinc/62/77/32/487627732.db2.gz RCCSYTFINAPPHR-SECBINFHSA-N 2 2 206.286 -1.363 20 0 BAADLP COCCC[N@@H+](CC[NH3+])C[C@H](O)CO ZINC000662288612 487628090 /nfs/dbraw/zinc/62/80/90/487628090.db2.gz RCCSYTFINAPPHR-VIFPVBQESA-N 2 2 206.286 -1.363 20 0 BAADLP COCCC[N@H+](CC[NH3+])C[C@H](O)CO ZINC000662288612 487628085 /nfs/dbraw/zinc/62/80/85/487628085.db2.gz RCCSYTFINAPPHR-VIFPVBQESA-N 2 2 206.286 -1.363 20 0 BAADLP [NH3+]CC[N@@H+](C[C@@H](O)CO)CC1CC[NH2+]CC1 ZINC000662289249 412080516 /nfs/dbraw/zinc/08/05/16/412080516.db2.gz YNWSNTGFJFPJTD-LLVKDONJSA-N 3 2 231.340 -1.400 20 0 BAADLP [NH3+]CC[N@H+](C[C@@H](O)CO)CC1CC[NH2+]CC1 ZINC000662289249 412080512 /nfs/dbraw/zinc/08/05/12/412080512.db2.gz YNWSNTGFJFPJTD-LLVKDONJSA-N 3 2 231.340 -1.400 20 0 BAADLP [NH3+]CC[N@@H+](C[C@H](O)CO)CC1CC[NH2+]CC1 ZINC000662289251 412078994 /nfs/dbraw/zinc/07/89/94/412078994.db2.gz YNWSNTGFJFPJTD-NSHDSACASA-N 3 2 231.340 -1.400 20 0 BAADLP [NH3+]CC[N@H+](C[C@H](O)CO)CC1CC[NH2+]CC1 ZINC000662289251 412078992 /nfs/dbraw/zinc/07/89/92/412078992.db2.gz YNWSNTGFJFPJTD-NSHDSACASA-N 3 2 231.340 -1.400 20 0 BAADLP Nc1ccc(NC(=O)C2(O)C[NH2+]C2)c[nH+]1 ZINC000662413423 487603412 /nfs/dbraw/zinc/60/34/12/487603412.db2.gz WSUCPDQFWYGWGB-UHFFFAOYSA-N 2 2 208.221 -1.063 20 0 BAADLP C[N@H+]1CCN(C(=O)CC2([NH3+])CC2)[C@H](C[NH3+])C1 ZINC000662428096 412167045 /nfs/dbraw/zinc/16/70/45/412167045.db2.gz HAKAWBNJFMCQFU-SECBINFHSA-N 3 2 226.324 -1.031 20 0 BAADLP C[N@H+]1CCN(C(=O)CC2([NH3+])CC2)[C@@H](C[NH3+])C1 ZINC000662428100 412166665 /nfs/dbraw/zinc/16/66/65/412166665.db2.gz HAKAWBNJFMCQFU-VIFPVBQESA-N 3 2 226.324 -1.031 20 0 BAADLP C[N@H+]1CCN(C(=O)[C@H]2C[C@H]([NH3+])C2)[C@@H](C[NH3+])C1 ZINC000662428581 412166532 /nfs/dbraw/zinc/16/65/32/412166532.db2.gz JTGIOIISXIFSEK-GUBZILKMSA-N 3 2 226.324 -1.175 20 0 BAADLP C[N@H+]1CCN(C(=O)[C@H]2C[C@H]([NH3+])C2)[C@H](C[NH3+])C1 ZINC000662428582 412167032 /nfs/dbraw/zinc/16/70/32/412167032.db2.gz JTGIOIISXIFSEK-OPRDCNLKSA-N 3 2 226.324 -1.175 20 0 BAADLP CN(CC(C)(C)[NH3+])C(=O)CN1CC[NH2+]CC1=O ZINC000662606058 412237447 /nfs/dbraw/zinc/23/74/47/412237447.db2.gz XFPHEORIEHGDJC-UHFFFAOYSA-N 2 2 242.323 -1.386 20 0 BAADLP O=C(NCCCn1cc[nH+]c1)C1(O)C[NH2+]C1 ZINC000662658477 412259523 /nfs/dbraw/zinc/25/95/23/412259523.db2.gz AOYNUKQOJIFXNR-UHFFFAOYSA-N 2 2 224.264 -1.276 20 0 BAADLP CC[NH+]1CCN(C(=O)C2(O)C[NH2+]C2)CC1 ZINC000662659137 412259969 /nfs/dbraw/zinc/25/99/69/412259969.db2.gz IBIIWEABBXEVIU-UHFFFAOYSA-N 2 2 213.281 -1.515 20 0 BAADLP O=C(NCC[NH+]1CCOCC1)C1(O)C[NH2+]C1 ZINC000662659826 412261596 /nfs/dbraw/zinc/26/15/96/412261596.db2.gz VKVZNFKJIPBXMY-UHFFFAOYSA-N 2 2 229.280 -2.231 20 0 BAADLP O=C(NCCC[NH+]1CCOCC1)C1(O)C[NH2+]C1 ZINC000662660040 412261021 /nfs/dbraw/zinc/26/10/21/412261021.db2.gz SELZOJJPVIJCIS-UHFFFAOYSA-N 2 2 243.307 -1.841 20 0 BAADLP O=C(NCCn1cc[nH+]c1)C1(O)C[NH2+]C1 ZINC000662664937 412263729 /nfs/dbraw/zinc/26/37/29/412263729.db2.gz XUWMPUJIWXYWFH-UHFFFAOYSA-N 2 2 210.237 -1.666 20 0 BAADLP COCC[NH+]1CCN(C(=O)C2(O)C[NH2+]C2)CC1 ZINC000662670976 412265618 /nfs/dbraw/zinc/26/56/18/412265618.db2.gz PNCVEGAWGSNRFF-UHFFFAOYSA-N 2 2 243.307 -1.889 20 0 BAADLP CC(C)[NH+]1CCN(C(=O)C2(O)C[NH2+]C2)CC1 ZINC000662672457 412265980 /nfs/dbraw/zinc/26/59/80/412265980.db2.gz BJFSTQCYVKXLCI-UHFFFAOYSA-N 2 2 227.308 -1.127 20 0 BAADLP O=C(N1CC[NH+](C2CC2)CC1)C1(O)C[NH2+]C1 ZINC000662673735 412266916 /nfs/dbraw/zinc/26/69/16/412266916.db2.gz PNLTVJLMIURVGT-UHFFFAOYSA-N 2 2 225.292 -1.373 20 0 BAADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C1(O)C[NH2+]C1 ZINC000662681472 412269564 /nfs/dbraw/zinc/26/95/64/412269564.db2.gz FUQPYHYNSHETQM-SECBINFHSA-N 2 2 243.307 -1.842 20 0 BAADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C1(O)C[NH2+]C1 ZINC000662681473 412269171 /nfs/dbraw/zinc/26/91/71/412269171.db2.gz FUQPYHYNSHETQM-VIFPVBQESA-N 2 2 243.307 -1.842 20 0 BAADLP O=C(NCC[NH+]1CCSCC1)C1(O)C[NH2+]C1 ZINC000662682249 412269905 /nfs/dbraw/zinc/26/99/05/412269905.db2.gz PFZALCKDSDSGHI-UHFFFAOYSA-N 2 2 245.348 -1.514 20 0 BAADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C1(O)C[NH2+]C1 ZINC000662687458 412270976 /nfs/dbraw/zinc/27/09/76/412270976.db2.gz YGGCIQPCWIXVCI-MRVPVSSYSA-N 2 2 224.264 -1.278 20 0 BAADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C1(O)C[NH2+]C1 ZINC000662687461 412270986 /nfs/dbraw/zinc/27/09/86/412270986.db2.gz YGGCIQPCWIXVCI-QMMMGPOBSA-N 2 2 224.264 -1.278 20 0 BAADLP C[C@H](CNC(=O)C1(O)C[NH2+]C1)Cn1cc[nH+]c1 ZINC000662687607 409832488 /nfs/dbraw/zinc/83/24/88/409832488.db2.gz HMWAMVRJSYYPKH-SECBINFHSA-N 2 2 238.291 -1.030 20 0 BAADLP C[C@@H](CNC(=O)C1(O)C[NH2+]C1)Cn1cc[nH+]c1 ZINC000662687608 409833716 /nfs/dbraw/zinc/83/37/16/409833716.db2.gz HMWAMVRJSYYPKH-VIFPVBQESA-N 2 2 238.291 -1.030 20 0 BAADLP C[C@@H]1C[N@@H+](CCNC(=O)C2(O)C[NH2+]C2)CCO1 ZINC000662700764 412276051 /nfs/dbraw/zinc/27/60/51/412276051.db2.gz KKMCUMFJPQIZCH-SECBINFHSA-N 2 2 243.307 -1.842 20 0 BAADLP C[C@@H]1C[N@H+](CCNC(=O)C2(O)C[NH2+]C2)CCO1 ZINC000662700764 412276049 /nfs/dbraw/zinc/27/60/49/412276049.db2.gz KKMCUMFJPQIZCH-SECBINFHSA-N 2 2 243.307 -1.842 20 0 BAADLP C[C@H]1C[N@@H+](CCNC(=O)C2(O)C[NH2+]C2)CCO1 ZINC000662700766 412275816 /nfs/dbraw/zinc/27/58/16/412275816.db2.gz KKMCUMFJPQIZCH-VIFPVBQESA-N 2 2 243.307 -1.842 20 0 BAADLP C[C@H]1C[N@H+](CCNC(=O)C2(O)C[NH2+]C2)CCO1 ZINC000662700766 412275815 /nfs/dbraw/zinc/27/58/15/412275815.db2.gz KKMCUMFJPQIZCH-VIFPVBQESA-N 2 2 243.307 -1.842 20 0 BAADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C1(O)C[NH2+]C1 ZINC000662714567 412280839 /nfs/dbraw/zinc/28/08/39/412280839.db2.gz IJGWRYDNUCJMNU-SECBINFHSA-N 2 2 243.307 -1.842 20 0 BAADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C1(O)C[NH2+]C1 ZINC000662714567 412280836 /nfs/dbraw/zinc/28/08/36/412280836.db2.gz IJGWRYDNUCJMNU-SECBINFHSA-N 2 2 243.307 -1.842 20 0 BAADLP C[C@H]1COCC[N@H+]1CCNC(=O)C1(O)C[NH2+]C1 ZINC000662714568 412281228 /nfs/dbraw/zinc/28/12/28/412281228.db2.gz IJGWRYDNUCJMNU-VIFPVBQESA-N 2 2 243.307 -1.842 20 0 BAADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C1(O)C[NH2+]C1 ZINC000662714568 412281225 /nfs/dbraw/zinc/28/12/25/412281225.db2.gz IJGWRYDNUCJMNU-VIFPVBQESA-N 2 2 243.307 -1.842 20 0 BAADLP [NH3+]CC(F)(F)CNC(=O)C1(O)C[NH2+]C1 ZINC000662767061 412296170 /nfs/dbraw/zinc/29/61/70/412296170.db2.gz RDRFIIHRXCOBPY-UHFFFAOYSA-N 2 2 209.196 -1.969 20 0 BAADLP [NH3+][C@H]1C[C@H](C(=O)N2CC[NH+](CCO)CC2)C1 ZINC000662778337 412300094 /nfs/dbraw/zinc/30/00/94/412300094.db2.gz GTPXAVUFQNOXLA-MGCOHNPYSA-N 2 2 227.308 -1.140 20 0 BAADLP O=C(N1CC[NH+](CCO)CC1)C1(O)C[NH2+]C1 ZINC000662780182 412300082 /nfs/dbraw/zinc/30/00/82/412300082.db2.gz OMTIOVREVOUOFG-UHFFFAOYSA-N 2 2 229.280 -2.543 20 0 BAADLP C[C@@]1(F)C[NH2+]CCN(C(=O)C2(O)C[NH2+]C2)C1 ZINC000662782206 412300691 /nfs/dbraw/zinc/30/06/91/412300691.db2.gz CHCKKUJPWJUAKP-SECBINFHSA-N 2 2 231.271 -1.519 20 0 BAADLP C[C@]1(F)C[NH2+]CCN(C(=O)C2(O)C[NH2+]C2)C1 ZINC000662782212 412300442 /nfs/dbraw/zinc/30/04/42/412300442.db2.gz CHCKKUJPWJUAKP-VIFPVBQESA-N 2 2 231.271 -1.519 20 0 BAADLP CN(Cc1[nH+]ccn1C)C(=O)C1(O)C[NH2+]C1 ZINC000662786743 412302083 /nfs/dbraw/zinc/30/20/83/412302083.db2.gz XFZQYCLWQFOCML-UHFFFAOYSA-N 2 2 224.264 -1.287 20 0 BAADLP CN(CC[NH+]1CCOCC1)C(=O)C1(O)C[NH2+]C1 ZINC000662787668 412303137 /nfs/dbraw/zinc/30/31/37/412303137.db2.gz AJDAJNIGUYHGHV-UHFFFAOYSA-N 2 2 243.307 -1.889 20 0 BAADLP CN(Cc1c[nH]c[nH+]1)C(=O)C1(O)C[NH2+]C1 ZINC000662839388 412317304 /nfs/dbraw/zinc/31/73/04/412317304.db2.gz QWCNZJNAGHTDFT-UHFFFAOYSA-N 2 2 210.237 -1.298 20 0 BAADLP CN(Cc1c[nH+]c[nH]1)C(=O)C1(O)C[NH2+]C1 ZINC000662839388 412317302 /nfs/dbraw/zinc/31/73/02/412317302.db2.gz QWCNZJNAGHTDFT-UHFFFAOYSA-N 2 2 210.237 -1.298 20 0 BAADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C[NH3+] ZINC000662858156 412327093 /nfs/dbraw/zinc/32/70/93/412327093.db2.gz VEZLVKYGIRZFIH-UHFFFAOYSA-N 3 2 216.329 -1.055 20 0 BAADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C[NH3+] ZINC000662858156 412327088 /nfs/dbraw/zinc/32/70/88/412327088.db2.gz VEZLVKYGIRZFIH-UHFFFAOYSA-N 3 2 216.329 -1.055 20 0 BAADLP [NH3+]CC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000662871384 412330992 /nfs/dbraw/zinc/33/09/92/412330992.db2.gz ZICSCTHOJOSNRX-SECBINFHSA-N 2 2 213.281 -1.122 20 0 BAADLP [NH3+]CC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000662871385 412331089 /nfs/dbraw/zinc/33/10/89/412331089.db2.gz ZICSCTHOJOSNRX-VIFPVBQESA-N 2 2 213.281 -1.122 20 0 BAADLP C[NH2+]C[C@@H](C)NC(=O)CN1CC[NH2+]CC1=O ZINC000662954786 412353939 /nfs/dbraw/zinc/35/39/39/412353939.db2.gz ZUHLINPMIREFQN-MRVPVSSYSA-N 2 2 228.296 -1.858 20 0 BAADLP C[NH2+]C[C@H](C)NC(=O)CN1CC[NH2+]CC1=O ZINC000662954787 412353773 /nfs/dbraw/zinc/35/37/73/412353773.db2.gz ZUHLINPMIREFQN-QMMMGPOBSA-N 2 2 228.296 -1.858 20 0 BAADLP C[C@@]1(NC(=O)CN2CC[NH2+]CC2=O)CC[NH2+]C1 ZINC000663002965 490276269 /nfs/dbraw/zinc/27/62/69/490276269.db2.gz APXYPZMZLTZEHG-LLVKDONJSA-N 2 2 240.307 -1.714 20 0 BAADLP C[C@]1(NC(=O)CN2CC[NH2+]CC2=O)CC[NH2+]C1 ZINC000663002966 490276508 /nfs/dbraw/zinc/27/65/08/490276508.db2.gz APXYPZMZLTZEHG-NSHDSACASA-N 2 2 240.307 -1.714 20 0 BAADLP CNC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000664332479 411924407 /nfs/dbraw/zinc/92/44/07/411924407.db2.gz YUSNEQUUBJXTCM-UHFFFAOYSA-N 2 2 244.339 -1.268 20 0 BAADLP CNC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000664332479 411924406 /nfs/dbraw/zinc/92/44/06/411924406.db2.gz YUSNEQUUBJXTCM-UHFFFAOYSA-N 2 2 244.339 -1.268 20 0 BAADLP C[NH+](C)C[C@H](CO)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000673522760 488293266 /nfs/dbraw/zinc/29/32/66/488293266.db2.gz WSGSFPQAPQBALM-NXEZZACHSA-N 2 2 245.323 -1.644 20 0 BAADLP C[NH+](C)C[C@H](CO)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000673522760 488293263 /nfs/dbraw/zinc/29/32/63/488293263.db2.gz WSGSFPQAPQBALM-NXEZZACHSA-N 2 2 245.323 -1.644 20 0 BAADLP C[NH+](C)C[C@@H](CO)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000673522761 488293553 /nfs/dbraw/zinc/29/35/53/488293553.db2.gz WSGSFPQAPQBALM-UWVGGRQHSA-N 2 2 245.323 -1.644 20 0 BAADLP C[NH+](C)C[C@@H](CO)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000673522761 488293550 /nfs/dbraw/zinc/29/35/50/488293550.db2.gz WSGSFPQAPQBALM-UWVGGRQHSA-N 2 2 245.323 -1.644 20 0 BAADLP C[NH+](C)C[C@@H](CO)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000673522762 488293375 /nfs/dbraw/zinc/29/33/75/488293375.db2.gz WSGSFPQAPQBALM-VHSXEESVSA-N 2 2 245.323 -1.644 20 0 BAADLP C[NH+](C)C[C@@H](CO)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000673522762 488293372 /nfs/dbraw/zinc/29/33/72/488293372.db2.gz WSGSFPQAPQBALM-VHSXEESVSA-N 2 2 245.323 -1.644 20 0 BAADLP C[NH+](C)C[C@H](CO)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000673522763 488293694 /nfs/dbraw/zinc/29/36/94/488293694.db2.gz WSGSFPQAPQBALM-ZJUUUORDSA-N 2 2 245.323 -1.644 20 0 BAADLP C[NH+](C)C[C@H](CO)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000673522763 488293691 /nfs/dbraw/zinc/29/36/91/488293691.db2.gz WSGSFPQAPQBALM-ZJUUUORDSA-N 2 2 245.323 -1.644 20 0 BAADLP C[NH+](C[C@@H](O)C[N@@H+]1C[C@H](O)C[C@H](O)C1)C1CC1 ZINC000685565771 487548704 /nfs/dbraw/zinc/54/87/04/487548704.db2.gz OFGDZOXVJZFJAS-GRYCIOLGSA-N 2 2 244.335 -1.131 20 0 BAADLP C[NH+](C[C@@H](O)C[N@H+]1C[C@H](O)C[C@H](O)C1)C1CC1 ZINC000685565771 487548701 /nfs/dbraw/zinc/54/87/01/487548701.db2.gz OFGDZOXVJZFJAS-GRYCIOLGSA-N 2 2 244.335 -1.131 20 0 BAADLP C[N@@H+](C[C@@H](O)C[NH+]1C[C@H](O)C[C@H](O)C1)C1CC1 ZINC000685565771 487548700 /nfs/dbraw/zinc/54/87/00/487548700.db2.gz OFGDZOXVJZFJAS-GRYCIOLGSA-N 2 2 244.335 -1.131 20 0 BAADLP C[N@H+](C[C@@H](O)C[NH+]1C[C@H](O)C[C@H](O)C1)C1CC1 ZINC000685565771 487548698 /nfs/dbraw/zinc/54/86/98/487548698.db2.gz OFGDZOXVJZFJAS-GRYCIOLGSA-N 2 2 244.335 -1.131 20 0 BAADLP C[NH+](C[C@H](O)C[N@@H+]1C[C@H](O)C[C@H](O)C1)C1CC1 ZINC000685565772 487548952 /nfs/dbraw/zinc/54/89/52/487548952.db2.gz OFGDZOXVJZFJAS-TUAOUCFPSA-N 2 2 244.335 -1.131 20 0 BAADLP C[NH+](C[C@H](O)C[N@H+]1C[C@H](O)C[C@H](O)C1)C1CC1 ZINC000685565772 487548948 /nfs/dbraw/zinc/54/89/48/487548948.db2.gz OFGDZOXVJZFJAS-TUAOUCFPSA-N 2 2 244.335 -1.131 20 0 BAADLP C[N@@H+](C[C@H](O)C[NH+]1C[C@H](O)C[C@H](O)C1)C1CC1 ZINC000685565772 487548942 /nfs/dbraw/zinc/54/89/42/487548942.db2.gz OFGDZOXVJZFJAS-TUAOUCFPSA-N 2 2 244.335 -1.131 20 0 BAADLP C[N@H+](C[C@H](O)C[NH+]1C[C@H](O)C[C@H](O)C1)C1CC1 ZINC000685565772 487548937 /nfs/dbraw/zinc/54/89/37/487548937.db2.gz OFGDZOXVJZFJAS-TUAOUCFPSA-N 2 2 244.335 -1.131 20 0 BAADLP C[NH+](C[C@@H](O)C[N@H+]1C[C@H](O)C[C@H]1CO)C1CC1 ZINC000685573422 487553743 /nfs/dbraw/zinc/55/37/43/487553743.db2.gz MYSWOEWHJVIGST-QJPTWQEYSA-N 2 2 244.335 -1.131 20 0 BAADLP C[NH+](C[C@@H](O)C[N@@H+]1C[C@H](O)C[C@H]1CO)C1CC1 ZINC000685573422 487553741 /nfs/dbraw/zinc/55/37/41/487553741.db2.gz MYSWOEWHJVIGST-QJPTWQEYSA-N 2 2 244.335 -1.131 20 0 BAADLP C[N@@H+](C[C@@H](O)C[NH+]1C[C@H](O)C[C@H]1CO)C1CC1 ZINC000685573422 487553738 /nfs/dbraw/zinc/55/37/38/487553738.db2.gz MYSWOEWHJVIGST-QJPTWQEYSA-N 2 2 244.335 -1.131 20 0 BAADLP C[N@H+](C[C@@H](O)C[NH+]1C[C@H](O)C[C@H]1CO)C1CC1 ZINC000685573422 487553736 /nfs/dbraw/zinc/55/37/36/487553736.db2.gz MYSWOEWHJVIGST-QJPTWQEYSA-N 2 2 244.335 -1.131 20 0 BAADLP C[NH+](C)C[C@H](N)C(=O)N1CC[NH+](C)CC1 ZINC000702382459 712049083 /nfs/dbraw/zinc/04/90/83/712049083.db2.gz AQWKMDQXIFEYDT-VIFPVBQESA-N 2 2 214.313 -1.351 20 0 BAADLP C[NH+](C)C[C@H](N)C(=O)N1CC[NH+](CCO)CC1 ZINC000702427217 712052521 /nfs/dbraw/zinc/05/25/21/712052521.db2.gz FLOGSVMINQSUJA-JTQLQIEISA-N 2 2 244.339 -1.988 20 0 BAADLP Cn1c[nH+]cc1CN1CCOC[C@@]1(C[NH3+])CO ZINC000703230212 712068764 /nfs/dbraw/zinc/06/87/64/712068764.db2.gz PTCWHZCUQHZNNY-LLVKDONJSA-N 2 2 240.307 -1.058 20 0 BAADLP Cn1c[nH+]cc1CN1CCOC[C@]1(C[NH3+])CO ZINC000703230213 712068822 /nfs/dbraw/zinc/06/88/22/712068822.db2.gz PTCWHZCUQHZNNY-NSHDSACASA-N 2 2 240.307 -1.058 20 0 BAADLP C[NH2+]CCN(C)C(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000706725164 712153539 /nfs/dbraw/zinc/15/35/39/712153539.db2.gz BHKOJHVXFGOMAB-SECBINFHSA-N 2 2 242.323 -1.516 20 0 BAADLP C[NH2+]CCN(C)C(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000706725166 712153554 /nfs/dbraw/zinc/15/35/54/712153554.db2.gz BHKOJHVXFGOMAB-VIFPVBQESA-N 2 2 242.323 -1.516 20 0 BAADLP C[C@H](O)[C@@H](O)C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000717423696 712657857 /nfs/dbraw/zinc/65/78/57/712657857.db2.gz SWWYFWJCENPKKM-GDPRMGEGSA-N 2 2 232.324 -1.227 20 0 BAADLP C[C@H](O)[C@@H](O)C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000717423696 712657856 /nfs/dbraw/zinc/65/78/56/712657856.db2.gz SWWYFWJCENPKKM-GDPRMGEGSA-N 2 2 232.324 -1.227 20 0 BAADLP C[C@H](O)[C@H](O)C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000717423699 712657941 /nfs/dbraw/zinc/65/79/41/712657941.db2.gz SWWYFWJCENPKKM-INTQDDNPSA-N 2 2 232.324 -1.227 20 0 BAADLP C[C@H](O)[C@H](O)C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000717423699 712657940 /nfs/dbraw/zinc/65/79/40/712657940.db2.gz SWWYFWJCENPKKM-INTQDDNPSA-N 2 2 232.324 -1.227 20 0 BAADLP C[C@H](O)[C@H](O)C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000717423701 712657660 /nfs/dbraw/zinc/65/76/60/712657660.db2.gz SWWYFWJCENPKKM-JMJZKYOTSA-N 2 2 232.324 -1.227 20 0 BAADLP C[C@H](O)[C@H](O)C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000717423701 712657659 /nfs/dbraw/zinc/65/76/59/712657659.db2.gz SWWYFWJCENPKKM-JMJZKYOTSA-N 2 2 232.324 -1.227 20 0 BAADLP C[C@H](O)[C@@H](O)C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000717423704 712658013 /nfs/dbraw/zinc/65/80/13/712658013.db2.gz SWWYFWJCENPKKM-LSJOCFKGSA-N 2 2 232.324 -1.227 20 0 BAADLP C[C@H](O)[C@@H](O)C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000717423704 712658012 /nfs/dbraw/zinc/65/80/12/712658012.db2.gz SWWYFWJCENPKKM-LSJOCFKGSA-N 2 2 232.324 -1.227 20 0 BAADLP C[NH+](C)CC(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000727483833 583659908 /nfs/dbraw/zinc/65/99/08/583659908.db2.gz PWLIORIHARVKCF-UHFFFAOYSA-N 2 2 242.323 -1.432 20 0 BAADLP C[NH+](C)CC(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000727483833 583659906 /nfs/dbraw/zinc/65/99/06/583659906.db2.gz PWLIORIHARVKCF-UHFFFAOYSA-N 2 2 242.323 -1.432 20 0 BAADLP O[C@H](C[NH+]1CCCC1)C[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000752096399 585242509 /nfs/dbraw/zinc/24/25/09/585242509.db2.gz YOTZHIZDLOHKAB-GRYCIOLGSA-N 2 2 244.335 -1.129 20 0 BAADLP O[C@H](C[NH+]1CCCC1)C[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000752096399 585242508 /nfs/dbraw/zinc/24/25/08/585242508.db2.gz YOTZHIZDLOHKAB-GRYCIOLGSA-N 2 2 244.335 -1.129 20 0 BAADLP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000752096404 585242495 /nfs/dbraw/zinc/24/24/95/585242495.db2.gz YOTZHIZDLOHKAB-TUAOUCFPSA-N 2 2 244.335 -1.129 20 0 BAADLP O[C@@H](C[NH+]1CCCC1)C[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000752096404 585242494 /nfs/dbraw/zinc/24/24/94/585242494.db2.gz YOTZHIZDLOHKAB-TUAOUCFPSA-N 2 2 244.335 -1.129 20 0 BAADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@@H](C)C[NH3+] ZINC000834618767 587760977 /nfs/dbraw/zinc/76/09/77/587760977.db2.gz JZXMKVKQVRENJE-VIFPVBQESA-N 2 2 244.339 -1.094 20 0 BAADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@@H](C)C[NH3+] ZINC000834618767 587760976 /nfs/dbraw/zinc/76/09/76/587760976.db2.gz JZXMKVKQVRENJE-VIFPVBQESA-N 2 2 244.339 -1.094 20 0 BAADLP [NH3+]CC[N@@H+](CCO)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000852746331 588698913 /nfs/dbraw/zinc/69/89/13/588698913.db2.gz IWCBYBYVEDZTJW-JTQLQIEISA-N 3 2 229.324 -1.240 20 0 BAADLP [NH3+]CC[N@@H+](CCO)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000852746332 588699253 /nfs/dbraw/zinc/69/92/53/588699253.db2.gz IWCBYBYVEDZTJW-SNVBAGLBSA-N 3 2 229.324 -1.240 20 0 BAADLP COC[C@@H](C[N@@H+](CC[NH3+])CCO)OC ZINC000852747096 588699116 /nfs/dbraw/zinc/69/91/16/588699116.db2.gz XJTMNCNCLZHMIE-SECBINFHSA-N 2 2 206.286 -1.099 20 0 BAADLP COC[C@@H](C[N@H+](CC[NH3+])CCO)OC ZINC000852747096 588699115 /nfs/dbraw/zinc/69/91/15/588699115.db2.gz XJTMNCNCLZHMIE-SECBINFHSA-N 2 2 206.286 -1.099 20 0 BAADLP COC[C@H](C[N@@H+](CC[NH3+])CCO)OC ZINC000852747097 588699134 /nfs/dbraw/zinc/69/91/34/588699134.db2.gz XJTMNCNCLZHMIE-VIFPVBQESA-N 2 2 206.286 -1.099 20 0 BAADLP COC[C@H](C[N@H+](CC[NH3+])CCO)OC ZINC000852747097 588699133 /nfs/dbraw/zinc/69/91/33/588699133.db2.gz XJTMNCNCLZHMIE-VIFPVBQESA-N 2 2 206.286 -1.099 20 0 BAADLP C[NH+](C)C[C@H](CO)NC(=O)Cc1[nH]cc[nH+]1 ZINC000854464320 588788458 /nfs/dbraw/zinc/78/84/58/588788458.db2.gz IRYFCTFYGLKBSK-MRVPVSSYSA-N 2 2 226.280 -1.009 20 0 BAADLP C[NH+](C)C[C@@H](CO)NC(=O)Cc1[nH]cc[nH+]1 ZINC000854464321 588788567 /nfs/dbraw/zinc/78/85/67/588788567.db2.gz IRYFCTFYGLKBSK-QMMMGPOBSA-N 2 2 226.280 -1.009 20 0 BAADLP C[C@@H](C[NH3+])NC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000861643036 589172410 /nfs/dbraw/zinc/17/24/10/589172410.db2.gz NGQBFPTUVRKHLV-DTWKUNHWSA-N 2 2 230.312 -1.037 20 0 BAADLP C[C@@H](C[NH3+])NC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000861643036 589172407 /nfs/dbraw/zinc/17/24/07/589172407.db2.gz NGQBFPTUVRKHLV-DTWKUNHWSA-N 2 2 230.312 -1.037 20 0 BAADLP C[C@@H](C[NH3+])NC(=O)NC[C@H]1COCC[N@H+]1C ZINC000861643037 589172562 /nfs/dbraw/zinc/17/25/62/589172562.db2.gz NGQBFPTUVRKHLV-IUCAKERBSA-N 2 2 230.312 -1.037 20 0 BAADLP C[C@@H](C[NH3+])NC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000861643037 589172561 /nfs/dbraw/zinc/17/25/61/589172561.db2.gz NGQBFPTUVRKHLV-IUCAKERBSA-N 2 2 230.312 -1.037 20 0 BAADLP C[C@@H]([NH3+])C[N@@H+](C)Cc1cn(C)c(=O)n(C)c1=O ZINC000863654057 589308297 /nfs/dbraw/zinc/30/82/97/589308297.db2.gz SVXDJFFCVXOLDH-MRVPVSSYSA-N 2 2 240.307 -1.137 20 0 BAADLP C[C@@H]([NH3+])C[N@H+](C)Cc1cn(C)c(=O)n(C)c1=O ZINC000863654057 589308296 /nfs/dbraw/zinc/30/82/96/589308296.db2.gz SVXDJFFCVXOLDH-MRVPVSSYSA-N 2 2 240.307 -1.137 20 0 BAADLP C[C@H]([NH3+])C[N@@H+](C)Cc1cn(C)c(=O)n(C)c1=O ZINC000863654058 589307984 /nfs/dbraw/zinc/30/79/84/589307984.db2.gz SVXDJFFCVXOLDH-QMMMGPOBSA-N 2 2 240.307 -1.137 20 0 BAADLP C[C@H]([NH3+])C[N@H+](C)Cc1cn(C)c(=O)n(C)c1=O ZINC000863654058 589307983 /nfs/dbraw/zinc/30/79/83/589307983.db2.gz SVXDJFFCVXOLDH-QMMMGPOBSA-N 2 2 240.307 -1.137 20 0 BAADLP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000863774073 589316482 /nfs/dbraw/zinc/31/64/82/589316482.db2.gz OWUIAGFVMCTCHJ-SECBINFHSA-N 2 2 242.323 -1.434 20 0 BAADLP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000863774074 589316610 /nfs/dbraw/zinc/31/66/10/589316610.db2.gz OWUIAGFVMCTCHJ-VIFPVBQESA-N 2 2 242.323 -1.434 20 0 BAADLP C[NH2+]C[C@](C)(O)C[N@H+]1CCCNC(=O)C1 ZINC000872157870 589886569 /nfs/dbraw/zinc/88/65/69/589886569.db2.gz SVUWFHHFOCZJQN-JTQLQIEISA-N 2 2 215.297 -1.221 20 0 BAADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CCCNC(=O)C1 ZINC000872157870 589886568 /nfs/dbraw/zinc/88/65/68/589886568.db2.gz SVUWFHHFOCZJQN-JTQLQIEISA-N 2 2 215.297 -1.221 20 0 BAADLP C[NH2+]C[C@@](C)(O)C[N@H+]1CCCNC(=O)C1 ZINC000872157873 589886190 /nfs/dbraw/zinc/88/61/90/589886190.db2.gz SVUWFHHFOCZJQN-SNVBAGLBSA-N 2 2 215.297 -1.221 20 0 BAADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCCNC(=O)C1 ZINC000872157873 589886189 /nfs/dbraw/zinc/88/61/89/589886189.db2.gz SVUWFHHFOCZJQN-SNVBAGLBSA-N 2 2 215.297 -1.221 20 0 BAADLP [NH3+]CCNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000876502844 590203770 /nfs/dbraw/zinc/20/37/70/590203770.db2.gz PDYGTLZLHXUZRJ-OWOJBTEDSA-N 2 2 213.281 -1.050 20 0 BAADLP [NH3+]CCNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000876502845 590203636 /nfs/dbraw/zinc/20/36/36/590203636.db2.gz PDYGTLZLHXUZRJ-UPHRSURJSA-N 2 2 213.281 -1.050 20 0 BAADLP C[N@H+]1CCN(C(=O)[C@@H]2COC(=O)N2)[C@H](C[NH3+])C1 ZINC000876542621 590212533 /nfs/dbraw/zinc/21/25/33/590212533.db2.gz QTCLAIAHBHZNBZ-SFYZADRCSA-N 2 2 242.279 -1.804 20 0 BAADLP C[N@@H+]1CCN(C(=O)[C@@H]2COC(=O)N2)[C@H](C[NH3+])C1 ZINC000876542621 590212531 /nfs/dbraw/zinc/21/25/31/590212531.db2.gz QTCLAIAHBHZNBZ-SFYZADRCSA-N 2 2 242.279 -1.804 20 0 BAADLP C[N@H+]1CCN(C(=O)[C@@H]2COC(=O)N2)[C@@H](C[NH3+])C1 ZINC000876542622 590212650 /nfs/dbraw/zinc/21/26/50/590212650.db2.gz QTCLAIAHBHZNBZ-YUMQZZPRSA-N 2 2 242.279 -1.804 20 0 BAADLP C[N@@H+]1CCN(C(=O)[C@@H]2COC(=O)N2)[C@@H](C[NH3+])C1 ZINC000876542622 590212649 /nfs/dbraw/zinc/21/26/49/590212649.db2.gz QTCLAIAHBHZNBZ-YUMQZZPRSA-N 2 2 242.279 -1.804 20 0 BAADLP C[C@H](C(=O)N[C@@H](C)C[NH3+])N1CC[NH2+]CC1=O ZINC000876829454 584887059 /nfs/dbraw/zinc/88/70/59/584887059.db2.gz IUDUTRWQBBLXPU-JGVFFNPUSA-N 2 2 228.296 -1.730 20 0 BAADLP C[C@@H](C[NH3+])NC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000876829455 584887248 /nfs/dbraw/zinc/88/72/48/584887248.db2.gz IUDUTRWQBBLXPU-YUMQZZPRSA-N 2 2 228.296 -1.730 20 0 BAADLP C[C@@H]([NH3+])CN(C)C(=O)CN1CC[NH2+]CC1=O ZINC000877095724 590281726 /nfs/dbraw/zinc/28/17/26/590281726.db2.gz POCAYUKKCUTBRA-MRVPVSSYSA-N 2 2 228.296 -1.776 20 0 BAADLP C[C@H]([NH3+])CN(C)C(=O)CN1CC[NH2+]CC1=O ZINC000877095726 590281740 /nfs/dbraw/zinc/28/17/40/590281740.db2.gz POCAYUKKCUTBRA-QMMMGPOBSA-N 2 2 228.296 -1.776 20 0 BAADLP C[C@@H]([NH3+])CN(C)C(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000877106398 590285208 /nfs/dbraw/zinc/28/52/08/590285208.db2.gz SRVNQHDJCQABPM-BDAKNGLRSA-N 2 2 242.323 -1.388 20 0 BAADLP C[C@H](C(=O)N(C)C[C@H](C)[NH3+])N1CC[NH2+]CC1=O ZINC000877106399 584890184 /nfs/dbraw/zinc/89/01/84/584890184.db2.gz SRVNQHDJCQABPM-DTWKUNHWSA-N 2 2 242.323 -1.388 20 0 BAADLP C[C@H]([NH3+])CN(C)C(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000877106400 584890166 /nfs/dbraw/zinc/89/01/66/584890166.db2.gz SRVNQHDJCQABPM-IUCAKERBSA-N 2 2 242.323 -1.388 20 0 BAADLP C[C@@H]([NH3+])CN(C)C(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000877106401 584890172 /nfs/dbraw/zinc/89/01/72/584890172.db2.gz SRVNQHDJCQABPM-RKDXNWHRSA-N 2 2 242.323 -1.388 20 0 BAADLP C[NH+](C[C@H](O)C[N@H+]1CC[C@@H](O)[C@@H](O)C1)C1CC1 ZINC000879609560 590826280 /nfs/dbraw/zinc/82/62/80/590826280.db2.gz ZTYTZZOAVBANGS-TUAOUCFPSA-N 2 2 244.335 -1.131 20 0 BAADLP C[NH+](C[C@H](O)C[N@@H+]1CC[C@@H](O)[C@@H](O)C1)C1CC1 ZINC000879609560 590826276 /nfs/dbraw/zinc/82/62/76/590826276.db2.gz ZTYTZZOAVBANGS-TUAOUCFPSA-N 2 2 244.335 -1.131 20 0 BAADLP C[N@H+](C[C@H](O)C[NH+]1CC[C@@H](O)[C@@H](O)C1)C1CC1 ZINC000879609560 590826266 /nfs/dbraw/zinc/82/62/66/590826266.db2.gz ZTYTZZOAVBANGS-TUAOUCFPSA-N 2 2 244.335 -1.131 20 0 BAADLP C[NH+](C[C@@H](O)C[N@H+]1CC[C@@H](O)[C@@H](O)C1)C1CC1 ZINC000879609561 590825558 /nfs/dbraw/zinc/82/55/58/590825558.db2.gz ZTYTZZOAVBANGS-UTUOFQBUSA-N 2 2 244.335 -1.131 20 0 BAADLP C[NH+](C[C@@H](O)C[N@@H+]1CC[C@@H](O)[C@@H](O)C1)C1CC1 ZINC000879609561 590825554 /nfs/dbraw/zinc/82/55/54/590825554.db2.gz ZTYTZZOAVBANGS-UTUOFQBUSA-N 2 2 244.335 -1.131 20 0 BAADLP C[N@H+](C[C@@H](O)C[NH+]1CC[C@@H](O)[C@@H](O)C1)C1CC1 ZINC000879609561 590825549 /nfs/dbraw/zinc/82/55/49/590825549.db2.gz ZTYTZZOAVBANGS-UTUOFQBUSA-N 2 2 244.335 -1.131 20 0 BAADLP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879612618 590830227 /nfs/dbraw/zinc/83/02/27/590830227.db2.gz HOKOCQKPTDHJMG-TUAOUCFPSA-N 2 2 244.335 -1.129 20 0 BAADLP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879612618 590830223 /nfs/dbraw/zinc/83/02/23/590830223.db2.gz HOKOCQKPTDHJMG-TUAOUCFPSA-N 2 2 244.335 -1.129 20 0 BAADLP O[C@H](C[NH+]1CCCC1)C[N@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879612619 590830603 /nfs/dbraw/zinc/83/06/03/590830603.db2.gz HOKOCQKPTDHJMG-UTUOFQBUSA-N 2 2 244.335 -1.129 20 0 BAADLP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879612619 590830600 /nfs/dbraw/zinc/83/06/00/590830600.db2.gz HOKOCQKPTDHJMG-UTUOFQBUSA-N 2 2 244.335 -1.129 20 0 BAADLP C[C@@H]([NH3+])C[N@@H+](C)CCCS(N)(=O)=O ZINC000883438226 591667357 /nfs/dbraw/zinc/66/73/57/591667357.db2.gz NWONCNAGAQEANP-SSDOTTSWSA-N 2 2 209.315 -1.056 20 0 BAADLP C[C@@H]([NH3+])C[N@H+](C)CCCS(N)(=O)=O ZINC000883438226 591667355 /nfs/dbraw/zinc/66/73/55/591667355.db2.gz NWONCNAGAQEANP-SSDOTTSWSA-N 2 2 209.315 -1.056 20 0 BAADLP C[C@H]([NH3+])C[N@@H+](C)CCCS(N)(=O)=O ZINC000883438227 591667529 /nfs/dbraw/zinc/66/75/29/591667529.db2.gz NWONCNAGAQEANP-ZETCQYMHSA-N 2 2 209.315 -1.056 20 0 BAADLP C[C@H]([NH3+])C[N@H+](C)CCCS(N)(=O)=O ZINC000883438227 591667524 /nfs/dbraw/zinc/66/75/24/591667524.db2.gz NWONCNAGAQEANP-ZETCQYMHSA-N 2 2 209.315 -1.056 20 0 BAADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)NC1C[NH2+]C1 ZINC000884693384 592013024 /nfs/dbraw/zinc/01/30/24/592013024.db2.gz XSLQHVOYOPFHRR-UHFFFAOYSA-N 2 2 237.263 -1.544 20 0 BAADLP COCCNC(=O)N1CC[NH2+]CC[NH2+]CC1 ZINC000899242130 584185568 /nfs/dbraw/zinc/18/55/68/584185568.db2.gz WKZPLNOZSUUYET-UHFFFAOYSA-N 2 2 230.312 -1.163 20 0 BAADLP Cn1nnnc1CCC[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000902453604 584608283 /nfs/dbraw/zinc/60/82/83/584608283.db2.gz CMNIMAQUBSQCNA-SECBINFHSA-N 2 2 240.311 -1.279 20 0 BAADLP Cn1nnnc1CCC[NH2+][C@H]1C[NH2+]CCOC1 ZINC000902453605 584607925 /nfs/dbraw/zinc/60/79/25/584607925.db2.gz CMNIMAQUBSQCNA-VIFPVBQESA-N 2 2 240.311 -1.279 20 0 BAADLP CON1CC[C@@H]([N@@H+](C)C[C@H](O)C[NH3+])C1=O ZINC000903453824 584772773 /nfs/dbraw/zinc/77/27/73/584772773.db2.gz NDNXNLVUCIEDMI-HTQZYQBOSA-N 2 2 217.269 -1.600 20 0 BAADLP CON1CC[C@@H]([N@H+](C)C[C@H](O)C[NH3+])C1=O ZINC000903453824 584772771 /nfs/dbraw/zinc/77/27/71/584772771.db2.gz NDNXNLVUCIEDMI-HTQZYQBOSA-N 2 2 217.269 -1.600 20 0 BAADLP CON1CC[C@@H]([N@@H+](C)C[C@@H](O)C[NH3+])C1=O ZINC000903453825 584772708 /nfs/dbraw/zinc/77/27/08/584772708.db2.gz NDNXNLVUCIEDMI-JGVFFNPUSA-N 2 2 217.269 -1.600 20 0 BAADLP CON1CC[C@@H]([N@H+](C)C[C@@H](O)C[NH3+])C1=O ZINC000903453825 584772706 /nfs/dbraw/zinc/77/27/06/584772706.db2.gz NDNXNLVUCIEDMI-JGVFFNPUSA-N 2 2 217.269 -1.600 20 0 BAADLP CON1CC[C@H]([N@@H+](C)C[C@H](O)C[NH3+])C1=O ZINC000903453826 584773058 /nfs/dbraw/zinc/77/30/58/584773058.db2.gz NDNXNLVUCIEDMI-SFYZADRCSA-N 2 2 217.269 -1.600 20 0 BAADLP CON1CC[C@H]([N@H+](C)C[C@H](O)C[NH3+])C1=O ZINC000903453826 584773057 /nfs/dbraw/zinc/77/30/57/584773057.db2.gz NDNXNLVUCIEDMI-SFYZADRCSA-N 2 2 217.269 -1.600 20 0 BAADLP CON1CC[C@H]([N@@H+](C)C[C@@H](O)C[NH3+])C1=O ZINC000903453827 584772512 /nfs/dbraw/zinc/77/25/12/584772512.db2.gz NDNXNLVUCIEDMI-YUMQZZPRSA-N 2 2 217.269 -1.600 20 0 BAADLP CON1CC[C@H]([N@H+](C)C[C@@H](O)C[NH3+])C1=O ZINC000903453827 584772510 /nfs/dbraw/zinc/77/25/10/584772510.db2.gz NDNXNLVUCIEDMI-YUMQZZPRSA-N 2 2 217.269 -1.600 20 0 BAADLP [NH3+]CC[N@@H+](C[C@@H](O)CO)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903463686 637364553 /nfs/dbraw/zinc/36/45/53/637364553.db2.gz JAERWNFNVSLSQB-OUAUKWLOSA-N 3 2 231.340 -1.272 20 0 BAADLP [NH3+]CC[N@H+](C[C@@H](O)CO)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903463686 637364524 /nfs/dbraw/zinc/36/45/24/637364524.db2.gz JAERWNFNVSLSQB-OUAUKWLOSA-N 3 2 231.340 -1.272 20 0 BAADLP [NH3+]CC[N@@H+](C[C@H](O)CO)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903463687 637365440 /nfs/dbraw/zinc/36/54/40/637365440.db2.gz JAERWNFNVSLSQB-VWYCJHECSA-N 3 2 231.340 -1.272 20 0 BAADLP [NH3+]CC[N@H+](C[C@H](O)CO)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903463687 637365437 /nfs/dbraw/zinc/36/54/37/637365437.db2.gz JAERWNFNVSLSQB-VWYCJHECSA-N 3 2 231.340 -1.272 20 0 BAADLP C[C@@H]1C[N@@H+](CC[NH3+])C[C@H]1CS(N)(=O)=O ZINC000903827421 584805143 /nfs/dbraw/zinc/80/51/43/584805143.db2.gz SCTYBOHMYPBVKL-SFYZADRCSA-N 2 2 221.326 -1.199 20 0 BAADLP C[C@@H]1C[N@H+](CC[NH3+])C[C@H]1CS(N)(=O)=O ZINC000903827421 584805141 /nfs/dbraw/zinc/80/51/41/584805141.db2.gz SCTYBOHMYPBVKL-SFYZADRCSA-N 2 2 221.326 -1.199 20 0 BAADLP NC(=O)CN1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CC1=O ZINC000904370826 584873265 /nfs/dbraw/zinc/87/32/65/584873265.db2.gz FFGBZOFNYOYLQH-DTORHVGOSA-N 2 2 240.307 -1.647 20 0 BAADLP NC(=O)CN1CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)CC1=O ZINC000904370826 584873262 /nfs/dbraw/zinc/87/32/62/584873262.db2.gz FFGBZOFNYOYLQH-DTORHVGOSA-N 2 2 240.307 -1.647 20 0 BAADLP C[NH+](C)C[C@H](O)C[NH2+]C[C@@H](O)C1(O)CCC1 ZINC000905346818 637768108 /nfs/dbraw/zinc/76/81/08/637768108.db2.gz STHBABLRGJPNIK-NXEZZACHSA-N 2 2 232.324 -1.226 20 0 BAADLP C[NH+](C)C[C@@H](O)C[NH2+]C[C@H](O)C1(O)CCC1 ZINC000905346819 637767650 /nfs/dbraw/zinc/76/76/50/637767650.db2.gz STHBABLRGJPNIK-UWVGGRQHSA-N 2 2 232.324 -1.226 20 0 BAADLP C[NH+](C)C[C@@H](O)C[NH2+]C[C@@H](O)C1(O)CCC1 ZINC000905346820 637768036 /nfs/dbraw/zinc/76/80/36/637768036.db2.gz STHBABLRGJPNIK-VHSXEESVSA-N 2 2 232.324 -1.226 20 0 BAADLP C[NH+](C)C[C@H](O)C[NH2+]C[C@H](O)C1(O)CCC1 ZINC000905346821 637767640 /nfs/dbraw/zinc/76/76/40/637767640.db2.gz STHBABLRGJPNIK-ZJUUUORDSA-N 2 2 232.324 -1.226 20 0 BAADLP C[NH+](C)C[C@H](CO)NC(=O)Cc1c[nH]c[nH+]1 ZINC000908199955 638605831 /nfs/dbraw/zinc/60/58/31/638605831.db2.gz GKVOQZMXKADQOD-SECBINFHSA-N 2 2 226.280 -1.009 20 0 BAADLP C[NH+](C)C[C@@H](CO)NC(=O)Cc1c[nH]c[nH+]1 ZINC000908199956 638606620 /nfs/dbraw/zinc/60/66/20/638606620.db2.gz GKVOQZMXKADQOD-VIFPVBQESA-N 2 2 226.280 -1.009 20 0 BAADLP C[NH+](C)CC(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC000913187847 711821225 /nfs/dbraw/zinc/82/12/25/711821225.db2.gz FHIDBLWFZRYWOE-JTQLQIEISA-N 2 2 231.296 -1.985 20 0 BAADLP C[NH+](C)CC(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC000913187853 711821144 /nfs/dbraw/zinc/82/11/44/711821144.db2.gz FHIDBLWFZRYWOE-SNVBAGLBSA-N 2 2 231.296 -1.985 20 0 BAADLP CN(C)C(=O)C[N@@H+](C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923298844 644337013 /nfs/dbraw/zinc/33/70/13/644337013.db2.gz PZYLGRRKLGQZNH-CIUDSAMLSA-N 2 2 215.297 -1.143 20 0 BAADLP CN(C)C(=O)C[N@H+](C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923298844 644337012 /nfs/dbraw/zinc/33/70/12/644337012.db2.gz PZYLGRRKLGQZNH-CIUDSAMLSA-N 2 2 215.297 -1.143 20 0 BAADLP CC[N@@H+](CC(=O)NC)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923305217 644340387 /nfs/dbraw/zinc/34/03/87/644340387.db2.gz VRLCEQKCUHQBQI-CIUDSAMLSA-N 2 2 215.297 -1.095 20 0 BAADLP CC[N@H+](CC(=O)NC)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923305217 644340382 /nfs/dbraw/zinc/34/03/82/644340382.db2.gz VRLCEQKCUHQBQI-CIUDSAMLSA-N 2 2 215.297 -1.095 20 0 BAADLP CCNC(=O)C[N@@H+](C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923307074 644337469 /nfs/dbraw/zinc/33/74/69/644337469.db2.gz SQOFLCSRFIGLAT-CIUDSAMLSA-N 2 2 215.297 -1.095 20 0 BAADLP CCNC(=O)C[N@H+](C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923307074 644337466 /nfs/dbraw/zinc/33/74/66/644337466.db2.gz SQOFLCSRFIGLAT-CIUDSAMLSA-N 2 2 215.297 -1.095 20 0 BAADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](CCO)C1 ZINC000923332957 644353791 /nfs/dbraw/zinc/35/37/91/644353791.db2.gz OSVFBIOQVFOSGL-JTQLQIEISA-N 2 2 227.308 -1.125 20 0 BAADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](CCO)C1 ZINC000923332959 644354524 /nfs/dbraw/zinc/35/45/24/644354524.db2.gz OSVFBIOQVFOSGL-SNVBAGLBSA-N 2 2 227.308 -1.125 20 0 BAADLP CNC(=O)NC(=O)C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923520123 644482435 /nfs/dbraw/zinc/48/24/35/644482435.db2.gz ISXNXLYDBJXJQU-DTWKUNHWSA-N 2 2 240.307 -1.017 20 0 BAADLP CNC(=O)NC(=O)C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923520123 644482428 /nfs/dbraw/zinc/48/24/28/644482428.db2.gz ISXNXLYDBJXJQU-DTWKUNHWSA-N 2 2 240.307 -1.017 20 0 BAADLP [NH3+]CC(F)(F)CNS(=O)(=O)C1C[NH2+]C1 ZINC000923632356 645762505 /nfs/dbraw/zinc/76/25/05/645762505.db2.gz FTLFPTYQPGZANG-UHFFFAOYSA-N 2 2 229.252 -1.528 20 0 BAADLP C[N@@H+](CCO)CCNC(=O)Cn1cc[nH+]c1 ZINC000925000291 646154113 /nfs/dbraw/zinc/15/41/13/646154113.db2.gz SFTWXSVWUNVMCT-UHFFFAOYSA-N 2 2 226.280 -1.077 20 0 BAADLP C[N@H+](CCO)CCNC(=O)Cn1cc[nH+]c1 ZINC000925000291 646154109 /nfs/dbraw/zinc/15/41/09/646154109.db2.gz SFTWXSVWUNVMCT-UHFFFAOYSA-N 2 2 226.280 -1.077 20 0 BAADLP OCCOCCC[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925630768 646376737 /nfs/dbraw/zinc/37/67/37/646376737.db2.gz CLJLUPYXOOJPLD-JTQLQIEISA-N 2 2 218.297 -1.037 20 0 BAADLP OCCOCCC[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925630770 646375831 /nfs/dbraw/zinc/37/58/31/646375831.db2.gz CLJLUPYXOOJPLD-SNVBAGLBSA-N 2 2 218.297 -1.037 20 0 BAADLP Cn1cc[nH+]c1N1CC[NH+](C[C@H](O)CO)CC1 ZINC000930060553 646415668 /nfs/dbraw/zinc/41/56/68/646415668.db2.gz GAADILHCWLXRCD-JTQLQIEISA-N 2 2 240.307 -1.105 20 0 BAADLP Cn1cc[nH+]c1N1CC[NH+](C[C@@H](O)CO)CC1 ZINC000930060554 646415323 /nfs/dbraw/zinc/41/53/23/646415323.db2.gz GAADILHCWLXRCD-SNVBAGLBSA-N 2 2 240.307 -1.105 20 0 BAADLP C[NH+](C)C[C@]1(O)CCC[N@@H+](C[C@@H](O)CO)C1 ZINC000930904833 639978528 /nfs/dbraw/zinc/97/85/28/639978528.db2.gz WSPDKHIXFJOBDK-GHMZBOCLSA-N 2 2 232.324 -1.272 20 0 BAADLP C[NH+](C)C[C@]1(O)CCC[N@H+](C[C@@H](O)CO)C1 ZINC000930904833 639978523 /nfs/dbraw/zinc/97/85/23/639978523.db2.gz WSPDKHIXFJOBDK-GHMZBOCLSA-N 2 2 232.324 -1.272 20 0 BAADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](C[C@@H](O)CO)C1 ZINC000930904851 639980081 /nfs/dbraw/zinc/98/00/81/639980081.db2.gz WSPDKHIXFJOBDK-MNOVXSKESA-N 2 2 232.324 -1.272 20 0 BAADLP C[NH+](C)C[C@@]1(O)CCC[N@H+](C[C@@H](O)CO)C1 ZINC000930904851 639980078 /nfs/dbraw/zinc/98/00/78/639980078.db2.gz WSPDKHIXFJOBDK-MNOVXSKESA-N 2 2 232.324 -1.272 20 0 BAADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](C[C@H](O)CO)C1 ZINC000930904853 639978324 /nfs/dbraw/zinc/97/83/24/639978324.db2.gz WSPDKHIXFJOBDK-QWRGUYRKSA-N 2 2 232.324 -1.272 20 0 BAADLP C[NH+](C)C[C@@]1(O)CCC[N@H+](C[C@H](O)CO)C1 ZINC000930904853 639978313 /nfs/dbraw/zinc/97/83/13/639978313.db2.gz WSPDKHIXFJOBDK-QWRGUYRKSA-N 2 2 232.324 -1.272 20 0 BAADLP C[NH+](C)C[C@]1(O)CCC[N@@H+](C[C@H](O)CO)C1 ZINC000930904855 639979527 /nfs/dbraw/zinc/97/95/27/639979527.db2.gz WSPDKHIXFJOBDK-WDEREUQCSA-N 2 2 232.324 -1.272 20 0 BAADLP C[NH+](C)C[C@]1(O)CCC[N@H+](C[C@H](O)CO)C1 ZINC000930904855 639979524 /nfs/dbraw/zinc/97/95/24/639979524.db2.gz WSPDKHIXFJOBDK-WDEREUQCSA-N 2 2 232.324 -1.272 20 0 BAADLP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC1C[NH+](CCO)C1 ZINC001030964270 641528689 /nfs/dbraw/zinc/52/86/89/641528689.db2.gz TZUCIUWPCNASSR-GXSJLCMTSA-N 2 2 241.335 -1.023 20 0 BAADLP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NC1C[NH+](CCO)C1 ZINC001030964270 641528683 /nfs/dbraw/zinc/52/86/83/641528683.db2.gz TZUCIUWPCNASSR-GXSJLCMTSA-N 2 2 241.335 -1.023 20 0 BAADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1C[NH+](CCO)C1 ZINC001030964273 641531707 /nfs/dbraw/zinc/53/17/07/641531707.db2.gz TZUCIUWPCNASSR-KOLCDFICSA-N 2 2 241.335 -1.023 20 0 BAADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC1C[NH+](CCO)C1 ZINC001030964273 641531700 /nfs/dbraw/zinc/53/17/00/641531700.db2.gz TZUCIUWPCNASSR-KOLCDFICSA-N 2 2 241.335 -1.023 20 0 BAADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC1C[NH+](CCO)C1 ZINC001030964275 641530766 /nfs/dbraw/zinc/53/07/66/641530766.db2.gz TZUCIUWPCNASSR-MWLCHTKSSA-N 2 2 241.335 -1.023 20 0 BAADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC1C[NH+](CCO)C1 ZINC001030964275 641530764 /nfs/dbraw/zinc/53/07/64/641530764.db2.gz TZUCIUWPCNASSR-MWLCHTKSSA-N 2 2 241.335 -1.023 20 0 BAADLP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1C[NH+](CCO)C1 ZINC001030964277 641531434 /nfs/dbraw/zinc/53/14/34/641531434.db2.gz TZUCIUWPCNASSR-ONGXEEELSA-N 2 2 241.335 -1.023 20 0 BAADLP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NC1C[NH+](CCO)C1 ZINC001030964277 641531429 /nfs/dbraw/zinc/53/14/29/641531429.db2.gz TZUCIUWPCNASSR-ONGXEEELSA-N 2 2 241.335 -1.023 20 0 BAADLP C[N@H+]1CC[C@@H](C(=O)NC2C[NH+](CCO)C2)C1 ZINC001031383452 642042560 /nfs/dbraw/zinc/04/25/60/642042560.db2.gz BAXPPSBWDUVMBZ-SECBINFHSA-N 2 2 227.308 -1.269 20 0 BAADLP C[N@@H+]1CC[C@@H](C(=O)NC2C[NH+](CCO)C2)C1 ZINC001031383452 642042557 /nfs/dbraw/zinc/04/25/57/642042557.db2.gz BAXPPSBWDUVMBZ-SECBINFHSA-N 2 2 227.308 -1.269 20 0 BAADLP C[N@H+]1CC[C@H](C(=O)NC2C[NH+](CCO)C2)C1 ZINC001031383454 642043635 /nfs/dbraw/zinc/04/36/35/642043635.db2.gz BAXPPSBWDUVMBZ-VIFPVBQESA-N 2 2 227.308 -1.269 20 0 BAADLP C[N@@H+]1CC[C@H](C(=O)NC2C[NH+](CCO)C2)C1 ZINC001031383454 642043629 /nfs/dbraw/zinc/04/36/29/642043629.db2.gz BAXPPSBWDUVMBZ-VIFPVBQESA-N 2 2 227.308 -1.269 20 0 BAADLP